O=c1[nH]c(=O)n(-c2cc(Br)c(O)c(Br)c2)cc1Br ZINC000001018000 IF Annotated Anodyne c1ccc(COc2ccc(Oc3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)cc1 ZINC000001062839 IF Annotated Anodyne COC[C@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@]2(C)C[C@H]1OC(C)=O ZINC000001320167 IF Annotated Mild Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3-c3ccccc3)n2)c(-n2cnnn2)c1 ZINC000001361507 IF Annotated Anodyne Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c2c1 ZINC000001367327 IF Annotated Anodyne Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C(C)(C)C(=O)N3CCCC3)ccc21 ZINC000001483781 IF Annotated Anodyne N[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCBr)CCBr ZINC000001487980 IF Annotated Reactive Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3CCN(c4ccccn4)CC3)sc2n1 ZINC000010013097 IF Annotated Anodyne C=CCNc1nc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cs1 ZINC000010135243 IF Annotated Mild CC(C)CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000100024093 IF Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccccn1 ZINC000100061635 IF Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1cccnc1 ZINC000100061639 IF Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccncc1 ZINC000100061644 IF Annotated Anodyne CC(C)(Oc1ccc(-n2cccn2)cn1)C(=O)N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](CC(N)=O)(C3)C2 ZINC000100065656 IF Annotated Anodyne CC(C)(Oc1ccc(-n2cccn2)cn1)C(=O)NC1[C@H]2CC3C[C@H]1CC(CC(N)=O)(C3)C2 ZINC000100065659 IF Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4CC(Cl)=CC[C@H]4C3=O)cc2)n1 ZINC000100081924 IF Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4CC=C(Cl)C[C@@H]4C3=O)cc2)n1 ZINC000100081928 IF Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4CC=C(Cl)C[C@H]4C3=O)cc2)n1 ZINC000100081934 IF Annotated Anodyne N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@H]2COC[C@H]21 ZINC000100082921 IF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3O[C@@]3(C)[C@H](OC(C)=O)C/C=C(\C)C(=O)C/C=C(\C)C[C@@H](OC(C)=O)[C@@H]12 ZINC000100089583 IF Annotated Mild in-vitro CC1=C[C@@H]2/C=C(\C)C[C@H](C)[C@H](O)[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000100090486 IF Annotated Anodyne in-vitro CC1=C[C@@H]2/C=C(\C)C[C@H](CO)C[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000100090493 IF Annotated Anodyne in-vitro CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccncc5)C[C@@H]3N4)cc2)cc1 ZINC000100105980 IF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCOCC5)C[C@@H]3N4)cc2)cc1 ZINC000100106141 IF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCOCC5)C[C@@H]3N4)cc2)cc1 ZINC000100106146 IF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccccc5)cc4[C@@H]32)=N1 ZINC000100135190 IF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccccc5)cc4[C@@H]32)=N1 ZINC000100135193 IF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5)cc4[C@@H]32)=N1 ZINC000100135199 IF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5)cc4[C@@H]32)=N1 ZINC000100135204 IF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4)ccc2N(C)[C@H]3CO)=N1 ZINC000100135210 IF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4)ccc2N(C)[C@H]3CO)=N1 ZINC000100135213 IF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5)cc4[C@H]32)=N1 ZINC000100135219 IF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5)cc4[C@H]32)=N1 ZINC000100135222 IF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@H]32)=N1 ZINC000100137630 IF Annotated Clean C[C@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@H]32)=N1 ZINC000100137635 IF Annotated Clean C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@@H]32)=N1 ZINC000100137640 IF Annotated Clean C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@@H]32)=N1 ZINC000100137645 IF Annotated Clean C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@@H]32)=N1 ZINC000100137652 IF Annotated Clean C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@@H]32)=N1 ZINC000100137657 IF Annotated Clean C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)[C@@H]2N1CCC ZINC000100139697 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCc4ccccc4C3)[C@H]2N1CCC ZINC000100139699 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)NC2Cc3ccccc3C2)[C@@H]1CO ZINC000100140149 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3Cc4ccccc4C3)N(CCC)[C@@H]21 ZINC000100140151 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccccc3)N(CCC)[C@@H]21 ZINC000100141351 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)NCCc2ccccc2)[C@@H]1CO ZINC000100141354 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)NCc2ccccc2F)[C@@H]1CO ZINC000100142167 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3F)N(CCC)[C@@H]21 ZINC000100142171 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)N(Cc3ccccc3Cl)[C@@H]21 ZINC000100142340 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccccc2Cl)[C@@H](C(=O)NCC)[C@@H]1CO ZINC000100142344 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2N1CCC ZINC000100142380 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H]2N1CCC ZINC000100142386 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1Cc1cccc(Cl)c1 ZINC000100143296 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1Cc1cccc(Cl)c1 ZINC000100143298 IF Annotated Anodyne COc1ccc(COC[C@@]23N=C4SCC(=O)N4[C@H](c4ccccc4O2)[C@H]3CO)cc1 ZINC000100264217 IF Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccnc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000100281902 IF Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000100281906 IF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1cccs1 ZINC000100286711 IF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1cccs1 ZINC000100286716 IF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1cccs1 ZINC000100286719 IF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1cccs1 ZINC000100286720 IF Annotated Anodyne C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1C[C@@H]3O ZINC000100306998 IF Annotated Mild in-vitro C=C1C[C@]23C=CC(=O)[C@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1C[C@@H]3O ZINC000100307003 IF Annotated Mild in-vitro C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@@H]1C[C@@H]3O ZINC000100307005 IF Annotated Mild in-vitro C=C1C[C@]23C=CC(=O)[C@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@@H]1C[C@@H]3O ZINC000100307008 IF Annotated Mild in-vitro O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccn2n1Cc1ccc(F)cc1 ZINC000100424722 IF Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000100455372 IF Annotated Mild COc1ccc(OC)c([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000100455376 IF Annotated Mild CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC ZINC000100459922 IF Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC ZINC000100459928 IF Annotated Anodyne CC1=Nc2ccccc2/C1=C/c1c(N)n2c(S(=O)(=O)CC(C)C)nsc2nc1=O ZINC000100475285 IF Annotated Anodyne O=C1C(Br)=CC(Br)=C/C1=C\NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2 ZINC000100477198 IF Annotated Mild O=C1C(Br)=CC(Br)=C/C1=C\NNC(=S)N[C@H]1C[C@@H]2C=C[C@@H]1C2 ZINC000100477203 IF Annotated Mild COc1ccccc1NC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 ZINC000100511079 IF Annotated Reactive Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN/C=C2\C=C(Cl)C=CC2=O)o1 ZINC000100524925 IF Annotated Reactive COC1=C/C(=c2/nc3c(c4cc(OC)c(OC)cc24)=C(C)NN3c2ccccc2)C=CC1=O ZINC000100537731 IF Annotated Mild COC(=O)[C@H](C(C)=O)C1=C/C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O ZINC000100563017 IF Annotated Mild COC(=O)[C@@H](C(C)=O)C1=C/C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O ZINC000100563021 IF Annotated Mild CCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000100565126 IF Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cc(=O)n3[nH]cc(C(=O)NC4CCCC4)c3n2)CC1 ZINC000100590738 IF Annotated Anodyne COc1ccc(-n2c(SCC(=O)NCc3cccs3)nc3nncc-3c2O)cc1 ZINC000100615546 IF Annotated Anodyne CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C(C)(C)[S@@](C)(=N)=O)n1 ZINC000100630888 IF Annotated Anodyne CC(C)[C@H](NC(=O)Cn1ccc2c3cccc(C(=O)O)c3nc-2c1O)C(=O)C(F)(F)F ZINC000100729416 IF Annotated Anodyne CC(C)[C@@H](NC(=O)Cn1ccc2c3cccc(C(=O)O)c3nc-2c1O)C(=O)C(F)(F)F ZINC000100729419 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC[C@H]4[C@@H](O)O[C@@H]5[C@H](O)CO[C@H]6O[C@H]([C@@H]4[C@@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100776807 IF Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC[C@H]4[C@@H](O)O[C@@H]5[C@H](O)CO[C@H]6O[C@H]([C@@H]4[C@@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100776809 IF Annotated Anodyne in-man endogenous CC(C)C1=C2[C@@H]3CC[C@@H]4[C@@H](O)O[C@@H]5[C@H](O)CO[C@H]6O[C@H]([C@@H]4[C@@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100776811 IF Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC[C@@H]4[C@@H](O)O[C@@H]5[C@H](O)CO[C@H]6O[C@H]([C@@H]4[C@@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100776813 IF Annotated Anodyne in-man endogenous C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1OC(C)=O ZINC000100777821 IF Annotated Mild in-man endogenous C=C([C@@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1OC(C)=O ZINC000100777824 IF Annotated Mild in-man endogenous C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1OC(C)=O ZINC000100777825 IF Annotated Mild in-man endogenous C=C([C@@H]1[C@@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1OC(C)=O)[C@@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000100777827 IF Annotated Mild in-man endogenous CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@]2(C)O ZINC000100836842 IF Annotated Reactive CCN(CC)CCn1c2c(OC)c(O)ccc2c(=O)c2c(O)c(OC)c(OC)c(OC)c21 ZINC000100840974 IF Annotated Bother CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@H](CCl)C5)c1c4n23 ZINC000100849269 IF Annotated Unstable COc1c(N2C[C@H]3[C@H](N)[C@H]3C2)c(F)cc2c1N(c1ccc(F)cc1F)C[C@@H](C(=O)O)C2=O ZINC000100851415 IF Annotated Anodyne COc1c(N2C[C@H]3[C@H](N)[C@H]3C2)c(F)cc2c1N(c1ccc(F)cc1F)C[C@H](C(=O)O)C2=O ZINC000100851418 IF Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c1cc(/C=N/NC(=O)NCCc3ccccc3)ccc1[n+]2[O-] ZINC000100897350 IF Annotated Reactive CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@@H]3C[C@]4(CO4)[C@@]12[C@@H](OC(C)=O)O3 ZINC000100899318 IF Annotated Anodyne in-vitro C[C@@H]1[C@@H]2C3=CC(N4CCN(C)CC4)=CC[C@H]3[C@H](Cc3ccc(N4CCN(C)CC4)cc32)N1C ZINC000100931749 IF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccccc3s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935030 IF Annotated Anodyne O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935035 IF Annotated Anodyne O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935048 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)NNC(=O)c3cccs3)CC2)cc1 ZINC000100951907 IF Annotated Reactive COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCN(C)C)(C2)[C@H]13 ZINC000100956704 IF Annotated Anodyne in-vivo COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCN(C)C)(C2)[C@@H]13 ZINC000100956712 IF Annotated Anodyne CC(=O)NC1=CC(=O)c2ccc(-c3[nH]c(C(=O)O)cc4c5ccccc5nc3-4)nc2C1=O ZINC000100981009 IF Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc2n1Cc1ccccc1 ZINC000101006311 IF Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCc1ccoc1 ZINC000101007612 IF Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(C4=Nc5ccccc5SC4)CC3)cc21 ZINC000101019630 IF Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4nc5ccccc5s4)CC3)cc21 ZINC000101021649 IF Annotated Anodyne Cc1cc2c(cc1C)C(=O)N(NC(=O)c1ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc1)C2=O ZINC000101026547 IF Annotated Anodyne Cc1cc2c(cc1C)C(=O)N(NC(=O)c1ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc1)C2=O ZINC000101026548 IF Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000101030952 IF Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000101030955 IF Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc2c(c1)OCO2 ZINC000101031434 IF Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc2c(c1)OCO2 ZINC000101031436 IF Annotated Anodyne CC(C)CCNn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101033574 IF Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCc1ccco1 ZINC000101033598 IF Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc2n1CCc1ccccc1 ZINC000101033601 IF Annotated Anodyne CO[C@@H](C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101034847 IF Annotated Anodyne CO[C@H](C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101034849 IF Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)NC(c1c(O)c3cccnc3n(Cc3ccccc3)c1=O)=N2 ZINC000101053668 IF Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(N)ccc21 ZINC000101077594 IF Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H](CC1=O)C(C)(C)[C@H]2[C@H](OC(=O)CCCl)C3=O ZINC000101084946 IF Annotated Reactive Cc1cccc2c1N=C(c1c(O)c3cccnc3n(Cc3ccccc3)c1=O)NS2(=O)=O ZINC000101085948 IF Annotated Anodyne C[C@]1(/C(=N/c2ccc(C#N)c(C(F)(F)F)c2)NS(C)(=O)=O)CC(C(F)(F)F)=NN1 ZINC000101090518 IF Annotated Mild C[C@@]1(/C(=N/c2ccc(C#N)c(C(F)(F)F)c2)NS(C)(=O)=O)CC(C(F)(F)F)=NN1 ZINC000101090521 IF Annotated Mild Nc1c(Cl)cc(C(=O)N(C2CC2)[C@@H]2CC[C@H](C(=O)NCC(=O)O)CC2)cc1Cl ZINC000101099816 IF Annotated Anodyne COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cccnc3n(CCC(C)C)c1=O)N2 ZINC000101100229 IF Annotated Anodyne COc1cccc2c1NC(c1c(O)c3cccnc3n(CCC(C)C)c1=O)=NS2(=O)=O ZINC000101100445 IF Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)[C@H](CC1=CN2C=CN=C[C@@H]2N1)S(=O)(=O)c1ccccc1 ZINC000101111533 IF Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](CC1=CN2C=CN=C[C@@H]2N1)S(=O)(=O)c1ccccc1 ZINC000101111537 IF Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)[C@H](CC1=CN2C=CN=C[C@H]2N1)S(=O)(=O)c1ccccc1 ZINC000101111540 IF Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](CC1=CN2C=CN=C[C@H]2N1)S(=O)(=O)c1ccccc1 ZINC000101111542 IF Annotated Bother C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)c2ccccc2)[C@H]67)[C@@H]1O ZINC000101126014 IF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)c2ccccc2)[C@H]67)[C@@H]1O ZINC000101126015 IF Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)c2ccccc2)[C@H]67)[C@@H]1O ZINC000101126016 IF Annotated Mild Cc1c(F)c(N2C[C@@H]3CC[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000101154507 IF Annotated Anodyne C/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1/N=C/c1ccc(O)c(OC)c1 ZINC000101167225 IF Annotated Mild COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6ccc7c(c6N(C(=O)OC)[C@@]15CC2)OCO7)[C@@H]43 ZINC000101266633 IF Annotated Anodyne COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O ZINC000101268957 IF Annotated Anodyne CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2cn(C)cn2)C3)cc1 ZINC000101283304 IF Annotated Anodyne C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)/C(=N/CCS(=O)(=O)O)C=C3O ZINC000101321787 IF Annotated Mild C=CCn1c(=O)/c(=C/c2ccc(Cl)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2 ZINC000101350723 IF Annotated Mild O=C(NCc1c(F)cc(F)cc1F)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000101380417 IF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000101393499 IF Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000101393502 IF Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 ZINC000101441295 IF Annotated Anodyne CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@]2(C)O ZINC000101471740 IF Annotated Reactive CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1 ZINC000101500627 IF Annotated Anodyne O=C1N[C@@]2(Cc3ccccc3)c3nc4ccccc4c(=O)n3[C@H]1C[C@@]21C(=O)Nc2ccccc21 ZINC000101545806 IF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCC1 ZINC000101550071 IF Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCC1 ZINC000101550076 IF Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCC1 ZINC000101550079 IF Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCC1 ZINC000101550083 IF Annotated Anodyne CCCCCCCCCN(CCCCCCCCC)[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000101554714 IF Annotated Mild CCCCCO[C@@]1(OC)C(Br)=C[C@](O)(CC(N)=O)C=C1Br ZINC000101565389 IF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1OC1CCC1 ZINC000101584899 IF Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(NC2CCOCC2)nc1OC1CCC1 ZINC000101584905 IF Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(NC2CCOCC2)nc1OC1CCC1 ZINC000101584911 IF Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1OC1CCC1 ZINC000101584916 IF Annotated Anodyne CC(C)(O)CNc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000101585056 IF Annotated Anodyne CC(C)(O)CNc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(C2CCCC2)n1 ZINC000101585064 IF Annotated Anodyne CC(C)(O)CNc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(C2CCCC2)n1 ZINC000101585070 IF Annotated Anodyne CC(C)(O)CNc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000101585079 IF Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000101585108 IF Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(C2CCCC2)n1 ZINC000101585115 IF Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(C2CCCC2)n1 ZINC000101585121 IF Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000101585127 IF Annotated Anodyne O=C1N[C@@]2(Cc3ccccc3)c3nc4ccccc4c(=O)n3[C@H]1C[C@]21C(=O)Nc2ccccc21 ZINC000101586377 IF Annotated Anodyne C[C@@]12NC(=O)[C@H](C[C@]13C(=O)Nc1ccc(Cl)cc13)n1c2nc2ccc(Cl)cc2c1=O ZINC000101590821 IF Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000101625836 IF Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000101659186 IF Annotated Anodyne Cn1cccc1C(=O)NC(=O)COC(=O)CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000101662551 IF Annotated Anodyne CC(C)c1nc(N2[C@@H]3CC[C@@H]2CN(c2ncc(OCc4ccncc4C#N)cn2)C3)no1 ZINC000101677683 IF Annotated Mild CC(C)c1nc(N2[C@H]3CC[C@H]2CN(c2ncc(OCc4ccncc4C#N)cn2)C3)no1 ZINC000101677686 IF Annotated Mild C[C@@]12NC(=O)[C@H](C[C@@]13C(=O)Nc1ccc(Cl)cc13)n1c2nc2ccc(Cl)cc2c1=O ZINC000101682609 IF Annotated Anodyne CCc1nnc(NC(=O)C2CCC(C/N=c3/c(N4CCC(C)CC4)c(O)c3=O)CC2)s1 ZINC000101683306 IF Annotated Anodyne CCOC(=O)[C@]1(C)C(/N=N/c2ccc(S(N)(=O)=O)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000101691786 IF Annotated Clean CCOC(=O)[C@@]1(C)C(/N=N/c2ccc(S(N)(=O)=O)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000101691792 IF Annotated Clean Cc1cc(S(=O)(=O)Nc2nc3sc(C)c(C)c3c(=O)n2N)c(S)cc1Cl ZINC000101695085 IF Annotated Anodyne C[C@]12C[C@]34COC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](C[C@@H]1C4)O2 ZINC000101712627 IF Annotated Anodyne N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2)[C@H]2CNC[C@H]21 ZINC000101717052 IF Annotated Mild Cc1ccc(/C(O)=C/C(=O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000101725684 IF Annotated Reactive aggregator COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)n(-c2ccccc2)c(SC)nc1=O ZINC000101726724 IF Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(-c2ccccc2)c(SC)nc1=O ZINC000101726726 IF Annotated Anodyne N#Cc1c(NS(=O)(=O)c2ccc3ccccc3c2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000101736848 IF Annotated Mild CCNc1nc(NCC)n2c(SCC(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)nnc2n1 ZINC000101757757 IF Annotated Clean CCOc1cc2c(cc1OCC)[S@](C)(=O)=NC(N1CCN(C(=O)c3ccco3)CC1)=N2 ZINC000101763033 IF Annotated Anodyne CCOc1cc2c(cc1OCC)[S@@](C)(=O)=NC(N1CCN(C(=O)c3ccco3)CC1)=N2 ZINC000101763035 IF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000101801619 IF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000101801624 IF Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccco1 ZINC000101832243 IF Annotated Bother C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCc1ccccc1 ZINC000101861615 IF Annotated Mild CC1=Nn2c(nnc(C)c2=O)NNP1(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000101861736 IF Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101870630 IF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101870638 IF Annotated Anodyne C=C1[C@@H]2C[C@]3([C@H](C[C@@H]2OC(C)=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@@H]54)[C@@H]1OC(C)=O ZINC000101875864 IF Annotated Mild COC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)COc2cccc(C)c2)c2ccccc21 ZINC000101877246 IF Annotated Clean Cc1c2c(nc3[nH]c(=S)n(-c4ccc(S(N)(=O)=O)cc4)c(=N)c13)CC(C)(C)CC2=O ZINC000101879818 IF Annotated Anodyne O=c1c2ncn([C@H]3C=C[C@@H](CO)C3)c2nc2[nH]c(-c3ccc(Br)cc3)cn12 ZINC000101885108 IF Annotated Anodyne COC(=O)C1=C(O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)N=C1C ZINC000101901725 IF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000101902623 IF Annotated Anodyne O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000101902628 IF Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCc1ccccc1 ZINC000101910080 IF Annotated Mild O=C1C(C2=N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000101929911 IF Annotated Mild O=C1C(C2=N[C@@H](C(=O)O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000101929916 IF Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OC/C(O)=C(/C#N)C(C)=N)c1 ZINC000101929957 IF Annotated Reactive N#Cc1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000101972697 IF Annotated Mild COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/C=C/C=C/CO ZINC000101994798 IF Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/C=C/C=C/CO ZINC000101994803 IF Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c(O)c2cc(F)ccc2n1CCC1CC1 ZINC000102013230 IF Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(N)ccc3N2)c(O)c2ccccc21 ZINC000102023536 IF Annotated Anodyne O=C(NN1C(=O)/C(=C\[C@H]2C(=O)Nc3ccccc32)SC1=S)c1cccc([N+](=O)[O-])c1 ZINC000102057197 IF Annotated Clean CC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCN1C ZINC000102167640 IF Annotated Anodyne CC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCN1C ZINC000102167644 IF Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(N4CCN(C)CC4)=CC[C@@H]3[C@H](Cc3ccc(N4CCN(C)CC4)cc32)N1C ZINC000102174583 IF Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCC=C=Cn1cnc2c(O)ncnc21)Oc1ccccc1 ZINC000102195820 IF Annotated Anodyne Cn1c(=O)c(C(=O)NCCNC(=O)CCCC[C@@H]2CCSS2)c(O)c2ccccc21 ZINC000102200617 IF Annotated Reactive Cn1c(=O)c(C(=O)NCCNC(=O)CCCC[C@H]2CCSS2)c(O)c2ccccc21 ZINC000102200623 IF Annotated Reactive COCCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2c3ccccc3nc-2c1O ZINC000102246089 IF Annotated Anodyne COCCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2c3ccccc3nc-2c1O ZINC000102246098 IF Annotated Anodyne COCCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2c3ccccc3nc-2c1O ZINC000102246102 IF Annotated Anodyne COc1cccc(NC2=C(Cl)C(=O)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 ZINC000102246279 IF Annotated Anodyne CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2cn(C)cn2)C3)cc1 ZINC000102247802 IF Annotated Anodyne C=C1[C@@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000102255895 IF Annotated Mild C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@]5([C@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(C)=O)[C@@H]1OC(C)=O ZINC000102255902 IF Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@H]3CC[C@@H]12 ZINC000102377306 IF Annotated Mild O=C1[C@H]2CC[C@@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1Cc1ccccc1 ZINC000102379721 IF Annotated Mild O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccccc1 ZINC000102395752 IF Annotated Reactive NC(=O)N/N=C1C(=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)/N2CCC/1CC2 ZINC000102414795 IF Annotated Reactive COc1ccccc1[C@H]1/C(=C(/O)c2ccc(C)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000102498655 IF Annotated Mild COc1ccccc1[C@@H]1/C(=C(/O)c2ccc(C)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000102498666 IF Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(F)cc2)cc1 ZINC000102545278 IF Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102545288 IF Annotated Mild O=C1[C@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1Cc1ccccc1 ZINC000102554172 IF Annotated Mild CO[C@@H]1COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H](C)COC(=O)CCC[C@H]1C ZINC000102605046 IF Annotated Anodyne COc1ccc([C@@H]2c3ccccc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1OC ZINC000102668610 IF Annotated Anodyne COc1ccc([C@H]2c3ccccc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1OC ZINC000102668614 IF Annotated Anodyne CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/CCCN(CC)c2cccc(C)c2)CC1 ZINC000102690238 IF Annotated Anodyne O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H](c2cccc(O)c2)/C1=C(/O)c1ccc(Cl)cc1 ZINC000102706423 IF Annotated Mild O=C1C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H](c2cccc(O)c2)/C1=C(/O)c1ccc(Cl)cc1 ZINC000102706426 IF Annotated Mild CCN1C(=O)[C@H]2CC[C@H]3/C(=N\OC/C=C(\C)CCC=C(C)C)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102838214 IF Annotated Mild CCN1C(=O)[C@H]2CC[C@@H]3/C(=N\OC/C=C(\C)CCC=C(C)C)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102840316 IF Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1C[C@H]3O ZINC000102887748 IF Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@@H]1C[C@H]3O ZINC000102887750 IF Annotated Mild O=C(O)/C=C/c1ccc2c(c1)c(=O)c(C(=O)/C=C(\O)C(=O)O)cn2Cc1ccc(F)cc1 ZINC000102890069 IF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(N)=O)c2O)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@]4(C)C2)[C@@H]31 ZINC000102893737 IF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(N)=O)c2O)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@]4(C)C2)[C@@H]31 ZINC000102893740 IF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(N)=O)c2O)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@]4(C)C2)[C@H]31 ZINC000102893742 IF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(N)=O)c2O)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@]4(C)C2)[C@H]31 ZINC000102893745 IF Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1[C@@H](O)C3 ZINC000102893814 IF Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@@H]1[C@@H](O)C3 ZINC000102893816 IF Annotated Mild C=C1[C@H](O)[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3 ZINC000102893829 IF Annotated Mild C=C1[C@H](O)[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@H]1CC3 ZINC000102893832 IF Annotated Mild C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)[C@@]23O[C@]12C(=O)C(O)=CC3=O ZINC000102941188 IF Annotated Mild C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)[C@@]23O[C@]12C(=O)C(O)=CC3=O ZINC000102941192 IF Annotated Mild COC(=O)C1(C(=O)OC)C[C@@H]2c3c(c4ccccc4n3C)C[C@@H](C1=O)N2Cc1ccccc1 ZINC000102943927 IF Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1ccccc1C(C)C)c(C)[n+]2[O-] ZINC000102958556 IF Annotated Anodyne Cc1cc(Br)cc(C)c1NC(=O)C(=O)Nn1c(S)nc2ccccc2c1=O ZINC000102959314 IF Annotated Anodyne COc1ccn2c(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(C)n4)C3(C)C)cnc2n1 ZINC000102969022 IF Annotated Mild COc1ccc2ncc(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(C)n4)C3(C)C)n2n1 ZINC000102970275 IF Annotated Mild Cc1ccccc1O[C@H](C)C(=O)NN1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S ZINC000102981786 IF Annotated Anodyne CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000102985939 IF Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@]132 ZINC000102985941 IF Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000102985943 IF Annotated Mild CCc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000103013682 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@@H]3S[C@@]21[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000103015284 IF Annotated Anodyne C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)C=C(NCCc1ccc(Cl)cc1)C3=O ZINC000103029625 IF Annotated Mild CCOC(=O)c1[nH]c(C)c2c1CCc1cc(S(=O)(=O)c3ccccc3)c(=O)n(C)c1-2 ZINC000103066882 IF Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4c(c3)C(=O)NC4)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103084590 IF Annotated Anodyne Cc1cccc(C(=O)O[C@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@]23O4)c1 ZINC000103107544 IF Annotated Anodyne Cc1cccc(C(=O)O[C@@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@@]32O4)c1 ZINC000103108569 IF Annotated Anodyne Cc1ccccc1C(=O)O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@H]3C=C[C@]12O3 ZINC000103108767 IF Annotated Anodyne C=C1[C@@H]2C[C@]3([C@H](C[C@@H]2OC(C)=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@@H]54)[C@@H]1OC(C)=O ZINC000103110516 IF Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000103147708 IF Annotated Mild CCC(CC)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000103148499 IF Annotated Anodyne CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)C(C)=C(C)C)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000103148868 IF Annotated Anodyne CCCNC(=S)NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CCC2=O)cc1 ZINC000103167722 IF Annotated Anodyne Cn1c(=O)cc(Oc2nc(NCC(=O)O)nc(Nc3ccc(C#N)cc3)n2)c2ccccc21 ZINC000103172093 IF Annotated Mild Cn1c(=O)cc(Oc2nc(NCCO)nc(Nc3ccc(C#N)cc3)n2)c2ccccc21 ZINC000103174508 IF Annotated Mild COc1cc(OC)nc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)n1 ZINC000103176031 IF Annotated Anodyne COc1cc(OC)nc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)n1 ZINC000103176032 IF Annotated Anodyne CC(C)C[C@@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C)C2CCCCC2)n1 ZINC000103176625 IF Annotated Anodyne CC(C)C[C@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C)C2CCCCC2)n1 ZINC000103176628 IF Annotated Anodyne CCC#CCOc1ccc(CCNC(=O)[C@H](NS(C)(=O)=O)C(CC)CC)cc1OC ZINC000103176683 IF Annotated Mild CCC#CCOc1ccc(CCNC(=O)[C@@H](NS(C)(=O)=O)C(CC)CC)cc1OC ZINC000103176685 IF Annotated Mild COc1c(OC)c(OC(C)=O)c2c(OC(C)=O)cc(OC(C)=O)c(OC(C)=O)c2c1F ZINC000103178117 IF Annotated Anodyne C/C=N/O[C@H](c1nc(OC)cc(OC)n1)c1ccccc1NS(=O)(=O)C(F)(F)F ZINC000103181219 IF Annotated Mild C/C=N/O[C@@H](c1nc(OC)cc(OC)n1)c1ccccc1NS(=O)(=O)C(F)(F)F ZINC000103181220 IF Annotated Mild COC(=O)C1=C[C@@H]2C3=C(NCCCN)c4cc(Br)ccc4N(C)C3=N[C@H]2C=C1 ZINC000103185328 IF Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCN)c4cc(Br)ccc4N(C)C3=N[C@@H]2C=C1 ZINC000103185330 IF Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCN)c4cc(Br)ccc4N(C)C3=N[C@H]2C=C1 ZINC000103185332 IF Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCN)c4cc(Br)ccc4N(C)C3=N[C@@H]2C=C1 ZINC000103185334 IF Annotated Anodyne CCCC[C@H](CC(=O)NO)C(=O)N[C@H](c1nc(C(=O)Nc2ccc(F)cn2)co1)C(C)C ZINC000103185878 IF Annotated Bother C[C@@H]1CC[C@H]2C(CNS(C)(=O)=O)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103186136 IF Annotated Reactive COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@H]3C=CC(Br)=C[C@H]13)N2C ZINC000103186516 IF Annotated Anodyne COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@@H]3C=CC(Br)=C[C@H]13)N2C ZINC000103186517 IF Annotated Anodyne COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@H]3C=CC(Br)=C[C@@H]13)N2C ZINC000103186520 IF Annotated Anodyne COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@@H]3C=CC(Br)=C[C@@H]13)N2C ZINC000103186522 IF Annotated Anodyne COc1ccc(NC(=O)Cn2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)c(OC)c1 ZINC000103195104 IF Annotated Anodyne Cc1c2c(nn1CC(=O)NCc1ccc(Cl)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103196725 IF Annotated Anodyne CN1C(=O)C(C2=NN(c3ccccc3)[C@H](c3coc4ccccc4c3=O)C2)C(=O)N(C)C1=O ZINC000103202758 IF Annotated Anodyne CN1C(=O)C(C2=NN(c3ccccc3)[C@@H](c3coc4ccccc4c3=O)C2)C(=O)N(C)C1=O ZINC000103202760 IF Annotated Anodyne CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CN)nn1-c1ncccc1Cl ZINC000103205915 IF Annotated Anodyne CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CO)nn1-c1ncccc1Cl ZINC000103205921 IF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OCC(F)(F)F)s1)SC ZINC000103207695 IF Annotated Reactive CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCC(=O)OC(C)C)CN1C ZINC000103207806 IF Annotated Anodyne CCCCOC(=O)CCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103209136 IF Annotated Anodyne CC[C@@H](C)OC(=O)CCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103209138 IF Annotated Anodyne CC[C@H](C)OC(=O)CCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103209140 IF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCC(=O)OCC(C)C)CN1C ZINC000103209143 IF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCC(=O)OC(C)(C)C)CN1C ZINC000103209146 IF Annotated Anodyne CCOC(=O)CCCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103209154 IF Annotated Anodyne CCCNC(=O)c1onc(CS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)NCCC ZINC000103209354 IF Annotated Anodyne CC(C)NC(=O)c1onc(CS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)NC(C)C ZINC000103209356 IF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3/C(=N\O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000103209359 IF Annotated Mild COc1cc([C@@H]2c3cc4c(cc3C3=NOC[C@H]3[C@@H]2COC=O)OCO4)cc(OC)c1OC ZINC000103211223 IF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3/C(=N/O)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000103212970 IF Annotated Mild CN(C)c1ccc(/N=N/c2ccc(C(=O)NCCOCCOCCOCCO)cc2)cc1 ZINC000103214852 IF Annotated Clean COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000103216128 IF Annotated Anodyne O=C(NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nc2ccccn2)n1)c1ccncc1 ZINC000103217330 IF Annotated Reactive COc1ccc(NC(NCCc2ccccc2)=C2C(=O)OC(C)(C)OC2=O)c(OC)c1 ZINC000103218563 IF Annotated Anodyne COc1ccccc1Nc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccn2)n1 ZINC000103218706 IF Annotated Reactive O=C(NNc1nc(Nc2ccccn2)nc(Nc2ccccc2[N+](=O)[O-])n1)c1ccncc1 ZINC000103218775 IF Annotated Reactive CC[C@@H](C)OC(=O)CN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103219683 IF Annotated Anodyne CC[C@H](C)OC(=O)CN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103219685 IF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CC(=O)OC(C)(C)C)CN1C ZINC000103219690 IF Annotated Anodyne CCCOC(=O)CCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103219699 IF Annotated Anodyne FC(F)(F)c1nn(CN2CCN(c3ncccn3)CC2)c(=S)n1/N=C/c1ccccc1 ZINC000103220493 IF Annotated Mild CCCOC(=O)CCCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103221010 IF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCCC(=O)OC(C)C)CN1C ZINC000103221014 IF Annotated Anodyne CCCCOC(=O)CN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103222884 IF Annotated Anodyne COc1cc(-c2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103230341 IF Annotated Mild CCC[C@H](OC(=O)CCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231561 IF Annotated Anodyne CCC[C@@H](OC(=O)CCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231562 IF Annotated Anodyne Cc1c(CC(=O)NCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000103232558 IF Annotated Clean CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000103235981 IF Annotated Anodyne O=C(/C(=C/c1ccccc1)n1cncn1)c1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000103237266 IF Annotated Mild Cn1cnnc1SCC(=O)N/N=c1/scc(-c2ccc(C#N)cc2)n1-c1ccccc1 ZINC000103241797 IF Annotated Reactive Cc1ccc(-c2cs/c(=N/NC(=O)CSc3nnnn3C)n2-c2ccccc2)cc1 ZINC000103241803 IF Annotated Reactive C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCN(c3ccccn3)CC2)c1O ZINC000103242095 IF Annotated Reactive COCCn1c(-c2ccccc2Cl)nc2c(N3CCN(C(C)=O)CC3)nc(C)nc21 ZINC000103243450 IF Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2C(F)(F)F)C3=O)cn1 ZINC000103247233 IF Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(C(F)(F)F)cc2)C3=O)cn1 ZINC000103247242 IF Annotated Anodyne COc1cnc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000103250720 IF Annotated Bother Cc1c(Cc2cccc(NS(N)(=O)=O)c2F)c(=O)oc2cc(OC(=O)N(C)C)ccc12 ZINC000103251004 IF Annotated Anodyne CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(OC(F)F)c3)c(F)cc1O[C@H]1CCOC[C@@H]12 ZINC000103253307 IF Annotated Anodyne CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(OC(F)F)c3)ccc1O[C@H]1CCOC[C@@H]12 ZINC000103253355 IF Annotated Anodyne C=C(C)C(=O)Nc1cccc(Sc2c(OC)nc(N3CCN(C)CC3)nc2OC)c1 ZINC000103254919 IF Annotated Mild CN1CCN(c2ncc(Sc3cccc(NC(=O)CN)c3)c(-c3ccccc3)n2)CC1 ZINC000103254961 IF Annotated Anodyne Cc1nc(N2CCN(C)CC2)nc(C)c1Sc1nccc(NC(=O)c2ccco2)n1 ZINC000103254998 IF Annotated Anodyne C=CCC(=O)Nc1cccc(Sc2c(OC)nc(N3CCN(C)CC3)nc2OC)c1 ZINC000103255001 IF Annotated Mild Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3 ZINC000103257214 IF Annotated Anodyne O=C(CCCc1cn(C23CC4CC(CC(C4)C2)C3)nn1)N[C@H](CO)Cc1ccc(O)cc1 ZINC000103258176 IF Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccccc4C#N)nn3)[C@@H]2CC1 ZINC000103259266 IF Annotated Mild CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4cccc(C#N)c4)nn3)[C@@H]2CC1 ZINC000103259268 IF Annotated Mild CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccc(C#N)cc4)nn3)[C@@H]2CC1 ZINC000103259272 IF Annotated Mild CNc1nc(Nc2cn([C@H]3CCN(C4COC4)C[C@H]3F)nc2C)ncc1C(F)(F)F ZINC000103260608 IF Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H](n1cnc3c(NN)ncnc31)O2 ZINC000103261060 IF Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3ccc(C(=O)NCCCO)cc3)cc2n1 ZINC000103263132 IF Annotated Anodyne COc1cccc(NC(=O)CO/N=C(\C)C2=C(O)c3ccccc3S(=O)(=O)N2C)c1 ZINC000103264404 IF Annotated Mild CCNC(=O)Nc1nc2cc(-c3ccc(=O)n(CCOC)c3)c(=O)n(C(C)C)c2s1 ZINC000103264846 IF Annotated Anodyne O=C(O)CNC(=O)c1c(O)c2c(Cl)c(Cl)c(Cl)n2n(Cc2ccccc2)c1=O ZINC000103264989 IF Annotated Anodyne COc1ccc(NC(=O)CO/N=C(\C)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 ZINC000103265487 IF Annotated Mild C/C(=N\OCC(=O)Nc1c(F)cccc1F)C1=C(O)c2ccccc2S(=O)(=O)N1C ZINC000103265495 IF Annotated Mild CC(=O)c1ccc2c(c1)cc(COCCN1COc3ccccc3C1=O)n2S(C)(=O)=O ZINC000103266610 IF Annotated Anodyne O=C1C=C(n2cc(CNC3=C(Cl)C(=O)c4ccccc4C3=O)nn2)C(=O)c2ccccc21 ZINC000103269107 IF Annotated Mild CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@@H](CC(C)C)C(=O)OC)CN1C ZINC000103273875 IF Annotated Anodyne O=C(c1ccc[n+](Cc2ccc(Br)cc2)c1)N1CCN(c2ncccn2)CC1 ZINC000103273939 IF Annotated Anodyne O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000103276482 IF Annotated Reactive COC(=O)[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(O)C=CC(=O)[C@]21C ZINC000103279992 IF Annotated Mild Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000103281438 IF Annotated Anodyne CN1CCN(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O ZINC000103285389 IF Annotated Anodyne Cc1cc(C)n2nc(S(=O)(=O)Nc3c(Br)ccc4cccnc34)nc2n1 ZINC000103286442 IF Annotated Anodyne Cc1ccccc1NC(=S)NC(=O)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O ZINC000103288186 IF Annotated Bother Cc1cccc(NC(=S)NC(=O)c2cn(CCO)c3c(cc(O)c4ncccc43)c2=O)c1 ZINC000103288188 IF Annotated Bother NS(=O)(=O)NC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000103288477 IF Annotated Anodyne COc1ccc2c(c1NC(=O)[C@@H](N)CO)CCCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103291488 IF Annotated Anodyne O=C(NCCC(=O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 ZINC000103298119 IF Annotated Anodyne CON(C)C(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298551 IF Annotated Anodyne CON(C)C(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298554 IF Annotated Anodyne Cn1ncc2c1-c1sccc1[C@H]2NC(=O)CN1CCN(Cc2ccccc2F)CC1 ZINC000103300414 IF Annotated Anodyne Cn1ncc2c1-c1sccc1[C@@H]2NC(=O)CN1CCN(Cc2ccccc2F)CC1 ZINC000103300417 IF Annotated Anodyne O=C1COCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000103303442 IF Annotated Mild O=C1COCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000103303445 IF Annotated Mild C[C@H]1OC(=O)C2=C1NC1=C([C@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CCC1 ZINC000103303510 IF Annotated Anodyne C[C@@H]1OC(=O)C2=C1NC1=C([C@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CCC1 ZINC000103303513 IF Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1 ZINC000103343081 IF Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1 ZINC000103343085 IF Annotated Anodyne CCOC(=O)/C(C#N)=C/C(C(=N)N1CCN(c2ccc(OC)cc2)CC1)=C(/O)OCC ZINC000103351220 IF Annotated Reactive CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@H]3CCCC[C@H](OC)[C@]4(O)C[C@@]32C(=C4C(=O)O)C1 ZINC000103524755 IF Annotated Anodyne in-vitro biogenic CCOC[C@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@@]31CN(C(=N)NC)C=C[C@@H]1CNC ZINC000103524886 IF Annotated Anodyne in-vitro biogenic C=CCCOc1ncc(C(=C)O)cc1-c1nc2c(CC)[n+](C3CN(CC)C3)[nH]c2c(=O)[nH]1 ZINC000103526356 IF Annotated Mild Oc1c(/C=N/CCN2CCOCC2)c(C(F)(F)F)nn1-c1nc2ccccc2s1 ZINC000103545146 IF Annotated Mild CCc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3nnc(C)c-3c2N)cc1 ZINC000103622969 IF Annotated Anodyne CCc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3nnc(C)c-3c2N)cc1 ZINC000103622973 IF Annotated Anodyne CCc1ccc(-n2c(S[C@@H](CC)C(=O)N3CCOCC3)nc3nnc(C)c-3c2N)cc1 ZINC000103623062 IF Annotated Anodyne CCc1ccc(-n2c(S[C@H](CC)C(=O)N3CCOCC3)nc3nnc(C)c-3c2N)cc1 ZINC000103623065 IF Annotated Anodyne COc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3nnc(C)c-3c2N)cc1 ZINC000103623137 IF Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@H](c1ccc(C(=O)O)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103627529 IF Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@@H](c1ccc(C(=O)O)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103627534 IF Annotated Anodyne O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000103662213 IF Annotated Anodyne O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000103662217 IF Annotated Anodyne CCC/N=c1\c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(O)oc2ccccc12 ZINC000103667769 IF Annotated Anodyne COc1ccc(N(CC(=O)N[C@H]2CCCC[C@H]2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000103716672 IF Annotated Anodyne COc1ccc(N(CC(=O)N[C@@H]2CCCC[C@H]2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000103716677 IF Annotated Anodyne O=C1C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H](c2cccc(O)c2)/C1=C(/O)c1ccc(Cl)cc1 ZINC000103740039 IF Annotated Mild O=C1C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H](c2cccc(O)c2)/C1=C(/O)c1ccc(Cl)cc1 ZINC000103740043 IF Annotated Mild O=C(c1ccco1)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000103743648 IF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5ccco5)CC4)nc2-3)c1 ZINC000103743706 IF Annotated Anodyne COc1ccc([C@@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000103756686 IF Annotated Mild COc1ccc([C@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000103756690 IF Annotated Mild O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)Nc1ccc(Br)cn1 ZINC000103827426 IF Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000103870991 IF Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000103870996 IF Annotated Anodyne COc1cc(NC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)cc(OC)c1 ZINC000103902311 IF Annotated Anodyne COc1ccc(C)cc1NC(=O)C1CCC(C/N=c2/c(N3CCCC3)c(O)c2=O)CC1 ZINC000103902471 IF Annotated Anodyne CCCN1C(=O)C2=C(/C(=C3\C=C(Cl)C(C)=CC3=O)NN2)[C@H]1c1ccc(O)c(OC)c1 ZINC000103917500 IF Annotated Mild CCCN1C(=O)C2=C(/C(=C3\C=C(Cl)C(C)=CC3=O)NN2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000103917505 IF Annotated Mild C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCN(C(=O)c6ccoc6)CC5)[C@H]4C[C@@]13O2 ZINC000103946218 IF Annotated Anodyne CCOC(=O)CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH]n2c1=O ZINC000103956546 IF Annotated Anodyne CCOC(=O)CCc1c(C)nc2cc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH]n2c1=O ZINC000103956550 IF Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5cccs5)CC4)nc2-3)cc1 ZINC000103960675 IF Annotated Anodyne O=C(C1CCC1)N1CCC(c2nc3n(Cc4c(F)cccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000103970708 IF Annotated Anodyne COc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3nncc-3c2O)cc1 ZINC000103976217 IF Annotated Anodyne COc1ccccc1-n1c(SCC(=O)NCc2cccs2)nc2nncc-2c1O ZINC000103976244 IF Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000103976320 IF Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(N)cc3C)nc3nncc-3c2O)cc1Cl ZINC000103976742 IF Annotated Anodyne Cc1cc(-n2c(SCC(=O)n3nc(N)cc3C)nc3nncc-3c2O)ccc1Cl ZINC000103976906 IF Annotated Anodyne C/C(NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)=C1/C=CC(=O)C=C1O ZINC000103980590 IF Annotated Reactive O=C(c1ccccc1Cl)N1CCC(c2nc3n(Cc4ccco4)[nH]nc-3c(=O)n2)CC1 ZINC000103990938 IF Annotated Anodyne COc1cc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)O)ccc1O ZINC000104007534 IF Annotated Mild COc1cc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)O)ccc1O ZINC000104007538 IF Annotated Mild CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2CCOC)s1 ZINC000104007890 IF Annotated Anodyne COc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)c1OC ZINC000104008475 IF Annotated Anodyne COc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)c1OC ZINC000104008480 IF Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000104009314 IF Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000104009320 IF Annotated Mild Cc1nn(C)c(C)c1CNC(=O)C1=CNN2C1=N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000104009798 IF Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000104009802 IF Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=CNN2C1=N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000104009806 IF Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000104009810 IF Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=CC2=N[C@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104009919 IF Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=CC2=N[C@@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104009925 IF Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=CC2=N[C@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104009931 IF Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=CC2=N[C@@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104009935 IF Annotated Anodyne COc1cccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4cccnc4)=CC3=N2)c1 ZINC000104013348 IF Annotated Anodyne CCOc1cc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1O ZINC000104014382 IF Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1O ZINC000104014388 IF Annotated Anodyne Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)c1 ZINC000104036008 IF Annotated Mild Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)c1 ZINC000104036013 IF Annotated Mild CN1C(SCC(=O)N2CCN(c3ccccc3)CC2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104037417 IF Annotated Anodyne CC1=C[C@@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C(=O)[C@H]21 ZINC000104052833 IF Annotated Anodyne N#Cc1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000104105142 IF Annotated Mild CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)cc2C[C@@H]1C ZINC000104148640 IF Annotated Anodyne CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2C[C@@H]1C ZINC000104148644 IF Annotated Anodyne CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)cc2C[C@@H]1C ZINC000104148648 IF Annotated Anodyne O=C1[C@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000104167535 IF Annotated Clean O=C(c1cccs1)N1CCC[C@H](c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)C1 ZINC000104179444 IF Annotated Anodyne O=C(c1cccs1)N1CCC[C@@H](c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)C1 ZINC000104179448 IF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)c5ccco5)C4)nc2-3)c1 ZINC000104179573 IF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)c5ccco5)C4)nc2-3)c1 ZINC000104179578 IF Annotated Anodyne O=C(c1ccco1)N1CCC[C@H](c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)C1 ZINC000104179603 IF Annotated Anodyne O=C(c1ccco1)N1CCC[C@@H](c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)C1 ZINC000104179606 IF Annotated Anodyne O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C\CBr ZINC000104232800 IF Annotated Reactive O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C/CBr ZINC000104232803 IF Annotated Reactive COc1ccc(CN2CCN(Cc3cccn3-c3ncccn3)C[C@H]2CCO)c(C)c1C ZINC000104311087 IF Annotated Anodyne CC(C)N1CCC(N2CCN(Cc3cc(F)ccc3-n3cccn3)C[C@H]2CCO)CC1 ZINC000104386641 IF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)c1 ZINC000104565437 IF Annotated Mild COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)c1 ZINC000104565441 IF Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000104612708 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000104612714 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000104612719 IF Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000104706823 IF Annotated Mild O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C\CBr ZINC000105192876 IF Annotated Reactive O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C/CBr ZINC000105192881 IF Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(O)c(OC)c2)c2cc3c(cc2O[C@]1(C)O)OCO3 ZINC000105473041 IF Annotated Anodyne O=C(NCc1c(F)cc(F)cc1F)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000107369312 IF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000110652167 IF Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000110652171 IF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000110652174 IF Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000110652176 IF Annotated Anodyne Cc1ncc(CNC(=O)c2sc(-n3cnn(Cc4ccc(F)cc4)c3=O)nc2C)s1 ZINC000113375432 IF Annotated Anodyne Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CCN3CCN(C)C3=O)nc2n1 ZINC000113419615 IF Annotated Anodyne Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc2n1 ZINC000113422497 IF Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccoc5)C4)c3C2)cc1C ZINC000113571859 IF Annotated Anodyne Cc1nc(-n2cnn([C@H](C)c3ccc(F)cc3)c2=O)sc1C(=O)NCc1ccccn1 ZINC000113631538 IF Annotated Anodyne Cc1nc(-n2cnn([C@@H](C)c3ccc(F)cc3)c2=O)sc1C(=O)NCc1ccccn1 ZINC000113631541 IF Annotated Anodyne C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2cccc(Cl)c2F)n1 ZINC000113942380 IF Annotated Anodyne CC1(C)c2[nH]nc(NC(=O)c3cccc(Cl)n3)c2CN1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000114182590 IF Annotated Anodyne CC1(C)c2[nH]nc(NC(=O)c3cccc(Cl)n3)c2CN1C(=O)N1CCN2CCC[C@H]2C1 ZINC000114182593 IF Annotated Anodyne CCc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)o1 ZINC000114183078 IF Annotated Anodyne Cc1nc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)cs1 ZINC000114183270 IF Annotated Anodyne C[C@H]1CN(C)[C@H](C)CN1C(=O)N1Cc2c(NC(=O)c3coc(C4CC4)n3)n[nH]c2C1(C)C ZINC000114183287 IF Annotated Anodyne Cc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)o1 ZINC000114183346 IF Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cn3)n[nH]c2C1(C)C ZINC000114183626 IF Annotated Anodyne CCc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)no1 ZINC000114184057 IF Annotated Anodyne C[C@H]1CN(C)[C@H](C)CN1C(=O)N1Cc2c(NC(=O)c3cc(C4CC4)on3)n[nH]c2C1(C)C ZINC000114184297 IF Annotated Anodyne Cc1nc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)cs1 ZINC000114184651 IF Annotated Anodyne COCCOc1cc(C(N)=O)c2ncnc(N[C@@H](CN(C)C)c3cccc(F)c3)c2c1 ZINC000114344376 IF Annotated Anodyne COCCOc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3cccc(F)c3)c2c1 ZINC000114344377 IF Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCO)c3cccc(NC(=O)[C@@H]4CC4(F)F)c3)ncnc12 ZINC000114346423 IF Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCO)c3cccc(NC(=O)[C@@H]4CC4(F)F)c3)ncnc12 ZINC000114346424 IF Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCO)c3cccc(NC(=O)[C@H]4CC4(F)F)c3)ncnc12 ZINC000114346426 IF Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCO)c3cccc(NC(=O)[C@H]4CC4(F)F)c3)ncnc12 ZINC000114346428 IF Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000114346903 IF Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000114346905 IF Annotated Anodyne COc1cnc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1 ZINC000114348183 IF Annotated Anodyne CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccccn1 ZINC000114684553 IF Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)cc12 ZINC000114712520 IF Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)Nc3ccc(N4CCNC4=O)nc3)cc12 ZINC000114713966 IF Annotated Anodyne Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4cccnc4)n(Cc4ccco4)c3nc12 ZINC000011690825 IF Annotated Anodyne CN(C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3cccs3)nc2C1 ZINC000011838991 IF Annotated Anodyne CN(C)CC(C)(C)CNC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3cccs3)nc2C1 ZINC000011838994 IF Annotated Anodyne COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N[C@@H]4CCOC4)c3C3CC3)nc1-2 ZINC000011839411 IF Annotated Anodyne COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N[C@H]4CCOC4)c3C3CC3)nc1-2 ZINC000011839412 IF Annotated Anodyne COc1cc(C)c(CN2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)cc1C ZINC000011868388 IF Annotated Anodyne COc1cc(C)c(CN2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)cc1C ZINC000011868391 IF Annotated Anodyne CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 ZINC000011911277 IF Annotated Anodyne CN1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 ZINC000011911278 IF Annotated Anodyne CN(C[C@@H]1COCCO1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000011965193 IF Annotated Anodyne CN(C[C@H]1COCCO1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000011965196 IF Annotated Anodyne COc1ccc(C[C@@]2(CCC(=O)N(C)CCn3nc(C)cc3C)CCC(=O)N2)c(F)c1 ZINC000011966047 IF Annotated Anodyne COc1ccc(C[C@]2(CCC(=O)N(C)CCn3nc(C)cc3C)CCC(=O)N2)c(F)c1 ZINC000011966050 IF Annotated Anodyne COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cccnc2OC)CCO3)C1 ZINC000011975579 IF Annotated Anodyne COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cccnc2OC)CCO3)C1 ZINC000011975582 IF Annotated Anodyne CCOC(=O)N1CCN(c2nc(CN3CCCC[C@@H]3CCO)nc3c(C)cccc23)CC1 ZINC000011976459 IF Annotated Anodyne CCOC(=O)N1CCN(c2nc(CN3CCCC[C@H]3CCO)nc3c(C)cccc23)CC1 ZINC000011976468 IF Annotated Anodyne COc1ccc(F)c(CN2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1 ZINC000011976809 IF Annotated Anodyne COc1ccc(F)c(CN2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1 ZINC000011976815 IF Annotated Anodyne COc1ccc(-c2ccnc(-n3ncc(C(=O)NC(C)(C)CO)c3C3CC3)n2)cc1F ZINC000011977007 IF Annotated Anodyne COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)c(C)c1C ZINC000011995938 IF Annotated Anodyne COc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)c(C)c1C ZINC000011995939 IF Annotated Anodyne Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)/C=C/c1ccccc1Cl)C2 ZINC000011995951 IF Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)nc31)CCNCC2 ZINC000115011042 IF Annotated Anodyne CCN1CCN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1 ZINC000115622069 IF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCc3cccc(C(=O)O)c3)c2c1=O ZINC000115622323 IF Annotated Anodyne CN1CCC(NCCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1 ZINC000115622388 IF Annotated Anodyne Cc1cc(-c2cc3ncn(C)c(=O)c3c(N3CC[C@H](CO)C3)n2)ccc1C1CCNCC1 ZINC000115622803 IF Annotated Anodyne CC(C)Nc1nc(-c2ccc(N3CCCC3)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115624064 IF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCCC4)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O ZINC000115624140 IF Annotated Anodyne CCN1CCN(C(=O)Cc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2)CC1 ZINC000115624156 IF Annotated Anodyne CN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCCO)n3)cc2F)CC1 ZINC000115624590 IF Annotated Anodyne CC(C)N1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2)CC1 ZINC000115625161 IF Annotated Anodyne CCN1CCN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2)CC1 ZINC000115625250 IF Annotated Anodyne Cc1cc(-c2cc3ncn(C)c(=O)c3c(N3CC[C@H](CO)C3)n2)ccc1C1CCN(C)CC1 ZINC000115625783 IF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCc3ccncc3)c2c1=O ZINC000115625939 IF Annotated Anodyne Cc1ccc(-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)cc1S(=O)(=O)N(C)C ZINC000115808206 IF Annotated Anodyne COC(CN(C)c1ccc(-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)cn1)OC ZINC000115811597 IF Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5nnc6n5CCC6)[nH]c4C)ccc3[nH]2)n1 ZINC000115829476 IF Annotated Anodyne Cc1ncnc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)c1F ZINC000115984765 IF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn(CCO)n4)cc3)c2n1 ZINC000116183642 IF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn(CC(=O)O)n4)cc3)c2n1 ZINC000116185602 IF Annotated Anodyne CC(C)[C@H]1CN(CCCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116186331 IF Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@H]3C2)nc(C(F)(F)F)n1 ZINC000116821489 IF Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@@H]3C2)nc(C(F)(F)F)n1 ZINC000116821490 IF Annotated Anodyne Cc1cc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@H]3C2)nc(C(F)(F)F)n1 ZINC000116821492 IF Annotated Anodyne CCc1c(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)nc1C ZINC000116823737 IF Annotated Anodyne CCc1c(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@@H]3C2)nc1C ZINC000116823739 IF Annotated Anodyne CCc1c(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)nc1C ZINC000116823740 IF Annotated Anodyne COc1cc(OC)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccn4)C[C@H]3C2)n1 ZINC000116823959 IF Annotated Anodyne COc1cc(OC)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccn4)C[C@@H]3C2)n1 ZINC000116823961 IF Annotated Anodyne COc1cc(OC)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccccn4)C[C@H]3C2)n1 ZINC000116823962 IF Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4nc(C)c5c(n4)CCC5)C[C@@H]3C2)n1 ZINC000116824464 IF Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@H]3CN(c4nc(C)c5c(n4)CCC5)C[C@@H]3C2)n1 ZINC000116824466 IF Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4nc(C)c5c(n4)CCC5)C[C@H]3C2)n1 ZINC000116824468 IF Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)nc(C)c1Cl ZINC000116828300 IF Annotated Anodyne Cc1nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)nc(C)c1Cl ZINC000116828301 IF Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@@H]3C2)nc(C)c1Cl ZINC000116828304 IF Annotated Anodyne Cc1nc2ccccc2nc1N1C[C@H]2CN(C(=O)c3ccccc3-c3nnc[nH]3)C[C@H]2C1 ZINC000116828360 IF Annotated Anodyne Cc1nc2ccccc2nc1N1C[C@H]2CN(C(=O)c3ccccc3-c3nnc[nH]3)C[C@@H]2C1 ZINC000116828361 IF Annotated Anodyne Cc1nc2ccccc2nc1N1C[C@@H]2CN(C(=O)c3ccccc3-c3nnc[nH]3)C[C@H]2C1 ZINC000116828363 IF Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 ZINC000116828416 IF Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 ZINC000116828418 IF Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 ZINC000116828421 IF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4snnc4C)C[C@@H]32)n1 ZINC000116828644 IF Annotated Anodyne COCCC(=O)N[C@@H]1CC[C@@H](CCN2CCN(c3ncc(C)c4c3CCO4)CC2)CC1 ZINC000116881145 IF Annotated Anodyne C[C@H](N[C@@H](Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)C(=O)Nc1nnn[nH]1)C(=O)O ZINC000117047048 IF Annotated Anodyne COc1ccccc1C(=O)NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1 ZINC000117047371 IF Annotated Anodyne CCc1nn(Cc2cnn(CCO)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117888344 IF Annotated Anodyne CC1(O)CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)C1 ZINC000118239365 IF Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1nc[nH]n1)C2 ZINC000118249782 IF Annotated Anodyne COc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1 ZINC000118394991 IF Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)C(=O)NC1CC1 ZINC000118396421 IF Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@@H](O)C1 ZINC000118399849 IF Annotated Anodyne Cn1nc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)ccc1=O ZINC000118409283 IF Annotated Anodyne O=C(Nc1cnn2ccc(N3CC(F)(F)C[C@@H]3c3cccc(F)c3)nc12)N1CC(O)C1 ZINC000118409941 IF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5C[C@@]5(N)C4)cn3)nc2n1C1CCCC1 ZINC000118707780 IF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5C[C@@]5(N)C4)cn3)nc2n1C1CCCC1 ZINC000118707782 IF Annotated Anodyne Cc1c(C(=O)NC[C@@H]2CNCCO2)sc2ncnc(Nc3cccnc3OC(C)C)c12 ZINC000118816952 IF Annotated Anodyne Cc1c(C(=O)NC[C@H]2CNCCO2)sc2ncnc(Nc3cccnc3OC(C)C)c12 ZINC000118816955 IF Annotated Anodyne Cc1c(C(=O)NC[C@@H]2COCCN2)sc2ncnc(Nc3cccnc3OC(C)C)c12 ZINC000118824165 IF Annotated Anodyne Cc1c(C(=O)NC[C@H]2COCCN2)sc2ncnc(Nc3cccnc3OC(C)C)c12 ZINC000118824168 IF Annotated Anodyne Cc1ccc2nc(C)c(-c3cc4nc(N5CC(O)C5)cc(NC5CCOCC5)n4n3)nc2c1 ZINC000118839253 IF Annotated Anodyne CC(=O)O[C@@H]1CC[C@]23C(=O)O[C@@]45CC[C@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@H]2[C@H]5CC[C@]3(O)C1 ZINC000118913786 IF Annotated Anodyne in-vitro CC(=O)O[C@H]1CC[C@]23C(=O)O[C@@]45CC[C@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@H]2[C@H]5CC[C@]3(O)C1 ZINC000118913787 IF Annotated Anodyne in-vitro CC(=O)O[C@@H]1CC[C@]23C(=O)O[C@@]45CC[C@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@H]2[C@H]5CC[C@@]3(O)C1 ZINC000118913788 IF Annotated Anodyne in-vitro CC(=O)O[C@H]1CC[C@]23C(=O)O[C@@]45CC[C@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@H]2[C@H]5CC[C@@]3(O)C1 ZINC000118913789 IF Annotated Anodyne in-vitro COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NC(C)(C)CO)c3C3CC3)ncc1CC2 ZINC000012022778 IF Annotated Anodyne CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C[C@@H]1C[C@@H](C)NC(=S)N1)O2 ZINC000012028834 IF Annotated Anodyne CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)C[C@@H]1C[C@@H](C)NC(=S)N1)O2 ZINC000012028840 IF Annotated Anodyne O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(Cc3cccn3-c3cccnc3)CC2)N1 ZINC000012047475 IF Annotated Anodyne O=C1NC(=O)[C@](Cc2ccccc2)(C2CCN(Cc3cccn3-c3cccnc3)CC2)N1 ZINC000012047476 IF Annotated Anodyne O=C(Cc1cscn1)N1CCOc2ccc(CN3CCN(c4ccccn4)CC3)cc2C1 ZINC000012047792 IF Annotated Anodyne COc1cc(OC)c(OC)cc1CN1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 ZINC000012079331 IF Annotated Anodyne CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)CCO2 ZINC000012079925 IF Annotated Anodyne CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)CCO2 ZINC000012079926 IF Annotated Anodyne COc1cc(OC)c(OC)cc1CN1CCC[C@@H](n2cc(C(=O)N3CCCCC3)nn2)C1 ZINC000012079983 IF Annotated Anodyne COc1cc(OC)c(OC)cc1CN1CCC[C@H](n2cc(C(=O)N3CCCCC3)nn2)C1 ZINC000012079984 IF Annotated Anodyne COCCNC(=O)c1ccc(OC)cc1OC1CCN(C2CSCCSC2)CC1 ZINC000012090678 IF Annotated Anodyne Cc1csc(SCC(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)n1 ZINC000012091702 IF Annotated Anodyne Cc1csc(SCC(=O)N2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)n1 ZINC000012091706 IF Annotated Anodyne Cc1ccn(CCC(=O)N2CCc3c(cnc(C)c3CNC(=O)Cc3ccsc3)C2)n1 ZINC000012100340 IF Annotated Anodyne COc1ccccc1-c1ccnc(-n2ncc(C(=O)N[C@H]3CCCCNC3=O)c2C2CC2)n1 ZINC000012121674 IF Annotated Anodyne COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NC(C)(C)CO)c3C3CC3)n2)c1 ZINC000012124940 IF Annotated Anodyne COc1cc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc(OC)c1OC ZINC000012126174 IF Annotated Anodyne COc1cc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc(OC)c1OC ZINC000012126180 IF Annotated Anodyne CC[C@@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C1CC1 ZINC000012130130 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C1CC1 ZINC000012130139 IF Annotated Anodyne Cn1c(SCC(=O)NCc2ccc(F)cc2)ncc(C(=O)Nc2ccccc2)c1=O ZINC000012236782 IF Annotated Anodyne CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247005 IF Annotated Anodyne CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247006 IF Annotated Anodyne CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247007 IF Annotated Anodyne CCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247008 IF Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 ZINC000012298493 IF Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 ZINC000012298494 IF Annotated Anodyne O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1)N1CCN(c2ccccn2)CC1 ZINC000012303151 IF Annotated Anodyne O=C(CC[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1)N1CCN(c2ccccn2)CC1 ZINC000012303154 IF Annotated Anodyne COCC(=O)N1CCC[C@@H](c2nc(SCC(=O)OC)ncc2-c2ccc(F)cc2)C1 ZINC000012329356 IF Annotated Anodyne COCC(=O)N1CCC[C@H](c2nc(SCC(=O)OC)ncc2-c2ccc(F)cc2)C1 ZINC000012329359 IF Annotated Anodyne O=c1c2nccn2c2ccccc2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000012354056 IF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccccc3s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000012355018 IF Annotated Anodyne Nc1cc(-n2nnnc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2F)ccc1Cl ZINC000012355116 IF Annotated Anodyne Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)on1 ZINC000012372925 IF Annotated Anodyne Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)on1 ZINC000012372926 IF Annotated Anodyne O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000012407237 IF Annotated Bother CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)CC1 ZINC000012431865 IF Annotated Mild CN1CCC(N(C)C(=O)CC[C@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)CC1 ZINC000012431866 IF Annotated Mild CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012439311 IF Annotated Anodyne CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012439312 IF Annotated Anodyne CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000012450004 IF Annotated Mild CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000012450006 IF Annotated Mild COc1ccccc1CCC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012457814 IF Annotated Anodyne COc1ccccc1CCC(=O)N1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000012457816 IF Annotated Anodyne O=C(NC[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1)C(F)(F)F ZINC000012473225 IF Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1)C(F)(F)F ZINC000012473229 IF Annotated Anodyne CCOC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1Cc1cc(OC)c(OC)c(OC)c1 ZINC000012479057 IF Annotated Anodyne C=C1CCN([C@@H](Cc2ccccc2)C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000012479089 IF Annotated Mild CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)OCC1CCCCC1 ZINC000012479126 IF Annotated Anodyne CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)OCC1CCCCC1 ZINC000012479130 IF Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000012479530 IF Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 ZINC000012479685 IF Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000012479939 IF Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3ccc(C(F)(F)F)cc3)C[C@H](OCCCCO)O2)CC1 ZINC000012482392 IF Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)N3CCOCC3)O[C@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000012482604 IF Annotated Mild CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C(=O)[C@H]21 ZINC000012488876 IF Annotated Anodyne COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)C[C@@H]2CCCO2)c(O)c1 ZINC000012491005 IF Annotated Mild COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)C[C@H]2CCCO2)c(O)c1 ZINC000012491010 IF Annotated Mild Cc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c2c1 ZINC000012493510 IF Annotated Anodyne NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc32)cn1 ZINC000012502694 IF Annotated Anodyne in-vivo CC[C@@H](C)c1ccc2cc3c(c(O)c2c1O)C(=O)C[C@H]([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)C3 ZINC000012504239 IF Annotated Anodyne in-vivo COc1cccc(CC2(CO)CCN(S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 ZINC000012507433 IF Annotated Anodyne N#C/C(c1nnc2n1CCCCC2)=c1\s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1 ZINC000012558267 IF Annotated Mild C[C@@H]1C/C(=N\NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(C)(C)C1 ZINC000012599601 IF Annotated Reactive C[C@H]1C/C(=N\NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(C)(C)C1 ZINC000012599603 IF Annotated Reactive COC(=O)CCCC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000012612245 IF Annotated Anodyne O=CN1CCCN(C(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 ZINC000012612891 IF Annotated Anodyne O=CN1CCCN(C(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 ZINC000012612897 IF Annotated Anodyne CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000012716946 IF Annotated Anodyne CCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000012716947 IF Annotated Anodyne Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)n1 ZINC000012761231 IF Annotated Anodyne Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 ZINC000012761236 IF Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)/N=C2\C=C(C)C(N3Nc4ccccc4N3)=CC2=O)cc1 ZINC000013110653 IF Annotated Mild O=C1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)CS1 ZINC000013116549 IF Annotated Anodyne O=C1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)CS1 ZINC000013116550 IF Annotated Anodyne O=C(C1CCC1)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[nH]2)CC1 ZINC000013118162 IF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccccc1Cl)=N2 ZINC000013118175 IF Annotated Anodyne O=C1C(Br)=CC(Br)=C/C1=C\NNC(=S)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000013118540 IF Annotated Mild O=C1C(Br)=CC(Br)=C/C1=C\NNC(=S)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000013118541 IF Annotated Mild CC(=O)n1cc([C@H]2C=C(C(=O)N3CCOCC3)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000013118584 IF Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCOCC3)O[C@H](OCCCCO)C2)c2ccccc21 ZINC000013118605 IF Annotated Anodyne CCOC1=C/C(=C/NNC(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C=CC1=O ZINC000013119214 IF Annotated Reactive COC1=CC=C/C(=C\NNc2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)C1=O ZINC000013119218 IF Annotated Mild COC1=C/C(=C\NNc2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)C(=O)C=C1 ZINC000013120226 IF Annotated Mild COC1=C/C(=C/NNC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)C=CC1=O ZINC000013120333 IF Annotated Reactive COCC/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1NC(C)=C1C=CC(=O)C=C1 ZINC000013120586 IF Annotated Mild N#C/C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1/NN=C(N2CCOCC2)N1c1ccccc1 ZINC000013122240 IF Annotated Reactive COC1=C/C(=C/NNc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)C=CC1=O ZINC000013122549 IF Annotated Mild O=C1C(Br)=CC(=CNNC(=S)NCc2ccco2)C=C1Br ZINC000013122718 IF Annotated Mild COc1ccc(Cc2nc3ccccc3n2CC(=O)NNC=C2C=CC(=O)C=C2)cc1OC ZINC000013123071 IF Annotated Reactive O=C(NN/C=C1\C=C(Cl)C=CC1=O)C(=O)Nc1ccccc1OC(F)(F)C(F)F ZINC000013123102 IF Annotated Reactive COC1=C/C(=C/NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C=C(Br)C1=O ZINC000013124066 IF Annotated Reactive COc1cccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4cccnc4)=CC3=N2)c1 ZINC000013124574 IF Annotated Anodyne COc1cccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4cccnc4)=CC3=N2)c1 ZINC000013124575 IF Annotated Anodyne COc1cccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4cccnc4)=CC3=N2)c1 ZINC000013124576 IF Annotated Anodyne COc1ccc(N2NC(C(=O)c3cccs3)=CC(=C3N=c4ccccc4=N3)C2=N)cc1 ZINC000013125984 IF Annotated Mild COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)C1=O ZINC000013126184 IF Annotated Reactive COc1ccc(Nc2nc(NCc3ccco3)nc(NNC=C3C=CC(=O)C=C3)n2)cc1 ZINC000013130563 IF Annotated Mild Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000013131785 IF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000013131786 IF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000013131788 IF Annotated Anodyne COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C(=O)O)c1OC ZINC000013136339 IF Annotated Reactive Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1[nH]c(OCc1ccccc1Cl)[n+]2C ZINC000013140475 IF Annotated Anodyne O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccccc1 ZINC000013146236 IF Annotated Reactive Cc1ccccc1N(CC(=O)N/N=C\c1cc(Br)c(C)o1)S(C)(=O)=O ZINC000013151710 IF Annotated Reactive C=CCn1c(=O)/c(=C/c2ccc(Cl)cc2)s/c1=C(\C#N)c1nnc2n1CCCCC2 ZINC000013152674 IF Annotated Mild CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Br)cc1 ZINC000013154659 IF Annotated Anodyne C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@H](O)C[C@H](O)C(C)(C)O ZINC000013307396 IF Annotated Anodyne in-man C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@@H](O)C[C@H](O)C(C)(C)O ZINC000013307398 IF Annotated Anodyne in-man C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@H](O)C[C@@H](O)C(C)(C)O ZINC000013307400 IF Annotated Anodyne in-man C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@@H](O)C[C@@H](O)C(C)(C)O ZINC000013307403 IF Annotated Anodyne in-man CCO[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C[C@@H]1NC(C)=O ZINC000013350572 IF Annotated Anodyne COc1c(Br)cc(/C=C/C(=O)NCCc2c[nH]c(N)n2)cc1Br ZINC000013354664 IF Annotated Anodyne O=S(=O)(O)Oc1cc2c(cc1O)c1c3[nH]c4ccccc4c3ccc1n2S(=O)(=O)O ZINC000013359359 IF Annotated Bother CC(/C=C/[C@H](C)O)=C\C(=O)NCC(C)(C)C(=O)C(C)(C)CNC(=O)/C=C(C)/C=C/[C@@H](C)O ZINC000013372103 IF Annotated Anodyne in-vitro biogenic C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)[C@]23O[C@]12C(=O)C(O)=CC3=O ZINC000013373259 IF Annotated Mild C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)[C@]23O[C@]12C(=O)C(O)=CC3=O ZINC000013373260 IF Annotated Mild CCC[C@@H](OC(C)=O)C1=C(Br)[C@@](CI)(OC)OC1=O ZINC000013379612 IF Annotated Reactive CCCc1cc(=O)c2c(CC(=O)O)cc(C(=O)O)c(C(=O)c3c(O)cccc3O)c2o1 ZINC000013383371 IF Annotated Anodyne O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 ZINC000013424605 IF Annotated Anodyne Cn1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)nc2ccc(Cl)cc21 ZINC000013439854 IF Annotated Anodyne CN(Cc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1ccc2c3c(cccc13)C(=O)N2 ZINC000013450104 IF Annotated Anodyne COc1c(O)ccc2c1O[C@@H](CO)[C@@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1O ZINC000013461118 IF Annotated Bother NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3cccc(/C=C/c4ccc(O)cc4)c32)cc1 ZINC000013470438 IF Annotated Mild C=C(C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478591 IF Annotated Mild C=C(C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478593 IF Annotated Mild C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478629 IF Annotated Anodyne C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478631 IF Annotated Anodyne C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478705 IF Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478707 IF Annotated Mild C/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478739 IF Annotated Anodyne C/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478741 IF Annotated Anodyne C/C=C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1 ZINC000013478803 IF Annotated Anodyne C/C=C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1 ZINC000013478805 IF Annotated Anodyne C/C=C\C=C\C(=O)N1C[C@]2(CC(c3cccc(NC(=O)/C(C)=C\C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478824 IF Annotated Anodyne C/C=C\C=C\C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)/C(C)=C\C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478827 IF Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1 ZINC000013478916 IF Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1 ZINC000013478918 IF Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1 ZINC000013478981 IF Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1 ZINC000013478983 IF Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/C=C\C)C3)c1 ZINC000013479008 IF Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/C=C\C)C3)c1 ZINC000013479010 IF Annotated Anodyne CCOC(=O)c1sc(NC(=O)CCN2C[C@H](C)O[C@H](C)C2)c(C(=O)OCC)c1C ZINC000013479372 IF Annotated Anodyne COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCC(CN)CC4)cccc2-3)cc1 ZINC000013492134 IF Annotated Anodyne COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCC(CO)CC4)cccc2-3)cc1 ZINC000013492136 IF Annotated Anodyne COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCN(C)CC4)cccc2-3)cc1 ZINC000013492145 IF Annotated Anodyne CN(C)c1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCOCC4)cccc2-3)cc1 ZINC000013492159 IF Annotated Anodyne CN(C)c1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCC(O)CC4)cccc2-3)cc1 ZINC000013492160 IF Annotated Anodyne NC(=O)C1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1 ZINC000013492177 IF Annotated Anodyne Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)(C)c2ccccc2)c1=O ZINC000013493130 IF Annotated Anodyne C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2S1(=O)=O ZINC000013518186 IF Annotated Anodyne COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCN(C)C)(C2)[C@H]13 ZINC000013522293 IF Annotated Anodyne in-vivo CCOC(=O)c1nc2c(O)nc3cc(C(F)(F)F)c(-n4ccc(C(=O)O)c4)cc3n2n1 ZINC000013532597 IF Annotated Anodyne Cn1ccc2ccc3c4[nH]c5c(CCNCCO)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000013535134 IF Annotated Bother C/C=C(\C)C(=O)NCCN1C2=NC[C@H](Cc3ccc(O)cc3)N2C[C@H]1Cc1ccc(O)cc1 ZINC000013545606 IF Annotated Anodyne C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1 ZINC000013545615 IF Annotated Anodyne C/C=C(\C)C(=O)NCCN1C2=NC[C@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1 ZINC000013545679 IF Annotated Anodyne COc1ccccc1N1/C(=N/C(=O)[C@@H](C)Oc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000013556119 IF Annotated Mild COc1ccc(CSC[C@H]2C(=O)N[C@@H](CS)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000013556878 IF Annotated Mild CCCCNC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013557173 IF Annotated Anodyne CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCc3ccccc3[N+](=O)[O-])n2)o1 ZINC000013557273 IF Annotated Mild COc1ccccc1CC/N=C(\N)Nc1nc(-c2csc(CNC(C)=O)n2)cs1 ZINC000013558607 IF Annotated Mild COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCCCCC(=O)N1 ZINC000013559801 IF Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000013561204 IF Annotated Reactive Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000013561205 IF Annotated Reactive Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000013561207 IF Annotated Reactive Cc1ccc(S(=O)(=O)N2CCC(c3nnc(SCCN4CCCC4)n3C)CC2)cc1 ZINC000013565100 IF Annotated Anodyne NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4cccnc4)cc32)cn1 ZINC000013580959 IF Annotated Anodyne CC(=O)Nc1ccc(NC[C@@H](O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000013581033 IF Annotated Bother CCN1CCN(C(=O)O[C@@H]2CC[C@]3(CO3)[C@@H](/C(C)=N/OCc3ccccc3)[C@@H]2OC)CC1 ZINC000013588336 IF Annotated Mild CC(Cl)(Cl)[C@@H](NC(=O)c1cc(F)cc(F)c1)N/C(=N/c1cccnc1)NC#N ZINC000013588846 IF Annotated Mild CC(Cl)(Cl)[C@H](NC(=O)c1cc(F)cc(F)c1)N/C(=N/c1cccnc1)NC#N ZINC000013588847 IF Annotated Mild CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C2CC2)C5)CC1 ZINC000013600098 IF Annotated Anodyne C=CCN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCN(C)CC5)c1c4n23 ZINC000013600100 IF Annotated Mild O=C1c2cccc(O)c2C(=O)c2c(OCCN(CCO)Cc3ccccc3)ccc(O)c21 ZINC000013602177 IF Annotated Clean OCCN1CCN=C1c1ccc(-c2ccc(-c3ccc(C4=NCCN4CCO)cc3)o2)cc1 ZINC000013602502 IF Annotated Anodyne CN(C)CCc1c(C(=O)OCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12 ZINC000013605890 IF Annotated Anodyne CC(C)OC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013605895 IF Annotated Anodyne CC(C)c1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000013607972 IF Annotated Anodyne CCn1cc(CNC(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)cn1 ZINC000013636599 IF Annotated Anodyne CCn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)cn1 ZINC000013636603 IF Annotated Anodyne CCOC(=O)C1(COc2ccc3c(c2)CN(C(=N)N)CC3)CCN(c2ccncc2)CC1 ZINC000013644376 IF Annotated Anodyne N=C(N)N1CCc2ccc(SCC3(C(=O)O)CCN(c4ccncc4)CC3)cc2C1 ZINC000013644409 IF Annotated Anodyne COc1cc2c(=O)n([C@@H](C)CN(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 ZINC000013649120 IF Annotated Bother COc1cc2c(=O)n([C@H](C)CN(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 ZINC000013649122 IF Annotated Bother CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c2c1F ZINC000013650284 IF Annotated Anodyne O=C(O)c1cn(-c2ccc(F)cc2F)c2c(F)c(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O ZINC000013650293 IF Annotated Anodyne O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc(Oc2ccccc2)cc1 ZINC000013651440 IF Annotated Anodyne O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc(Oc2ccccc2)cc1 ZINC000013651441 IF Annotated Anodyne COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](OCCO)[C@H]3COC(=O)N23)cc(OC)c1O ZINC000013652052 IF Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656421 IF Annotated Mild C#CCNC(=O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656556 IF Annotated Mild C#Cc1ccc([C@H]2C=C(C(=O)N3CCOCC3)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000013656795 IF Annotated Mild O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1)N1CCOCC1 ZINC000013656797 IF Annotated Anodyne O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1)N1CCOCC1 ZINC000013656813 IF Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](c3ccc(C(F)(F)F)cc3)C[C@@H](OCCCCO)O2)CC1 ZINC000013656892 IF Annotated Anodyne NCCCC[C@H]1CNC(=O)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662171 IF Annotated Anodyne COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1 ZINC000013681598 IF Annotated Anodyne COc1ccc(C(=O)[C@H]2[C@@H]3[C@H]4CO[C@H](O4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N32)c(OC)c1 ZINC000013704209 IF Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H]1C ZINC000013704216 IF Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)CCC1(CCN(CCc3ccc4nonc4c3)CC1)O2 ZINC000013728494 IF Annotated Anodyne CC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)Nc1ccccc1S2 ZINC000013741655 IF Annotated Anodyne CC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)Nc1ccccc1S2 ZINC000013741656 IF Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](Cl)C(=O)[C@@H](C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000013742774 IF Annotated Reactive CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](Cl)C(=O)[C@H](C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000013742775 IF Annotated Reactive COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n(C)c3ccccc13)C2=O ZINC000013744341 IF Annotated Anodyne CCCOc1ccc(NC(=S)NC(=O)OCC)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 ZINC000013755585 IF Annotated Anodyne Cc1ccccc1[C@H]1CC[C@@H](C(=O)O)N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1 ZINC000013756716 IF Annotated Mild Cc1cccc([C@H]2CC[C@@H](C(=O)O)N2C(=O)CNC(=O)[C@@H](S)Cc2ccccc2)c1 ZINC000013756717 IF Annotated Mild Cc1ccccc1[C@@H]1CC[C@H](C(=O)O)N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1 ZINC000013756718 IF Annotated Mild Cc1ccccc1[C@@H]1CC[C@@H](C(=O)O)N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1 ZINC000013756720 IF Annotated Mild Cc1ccccc1[C@H]1CC[C@H](C(=O)O)N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1 ZINC000013756722 IF Annotated Mild CC(C)CCC(=O)O[C@@H]1C[C@](OCCCc2ccc(Cl)cc2)(C(=O)O)C[C@@H](O)[C@H]1O ZINC000013760881 IF Annotated Anodyne CN(CCC(=O)N[C@@H](CC(=O)O)c1ccccc1)C(=O)c1cc2cc(C(=N)N)ccc2o1 ZINC000013776137 IF Annotated Anodyne CN(CCC(=O)N[C@H](CC(=O)O)c1ccccc1)C(=O)c1cc2cc(C(=N)N)ccc2o1 ZINC000013776139 IF Annotated Anodyne C=CCN1C(=NC#N)N(CC=C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000013779349 IF Annotated Mild COc1ccc(CCNCCC[C@@H]2Oc3cc4c(cc3NC2=O)OCCO4)cc1OC ZINC000013780768 IF Annotated Anodyne COc1ccc(CCNCCC[C@H]2Oc3cc4c(cc3NC2=O)OCCO4)cc1OC ZINC000013780769 IF Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N(C)C(=O)[C@H]3[C@H]2[C@@]2(C)/C(=N/Cc3ccccc3)OC(=O)N2C1=O ZINC000013812891 IF Annotated Mild COc1ccc(C(=O)[C@@H]2[C@H]3[C@H](C(=O)[C@H]4OC[C@@H]3O4)[C@@H]3C=Cc4ccccc4N32)c(OC)c1 ZINC000013813063 IF Annotated Anodyne COc1ccc(C(=O)[C@H]2[C@H]3[C@H](C(=O)[C@H]4OC[C@@H]3O4)[C@@H]3C=Cc4ccccc4N32)c(OC)c1 ZINC000013813066 IF Annotated Anodyne COc1ccc(C(=O)[C@@H]2[C@@H]3[C@H](C(=O)[C@H]4OC[C@@H]3O4)[C@@H]3C=Cc4ccccc4N32)c(OC)c1 ZINC000013813069 IF Annotated Anodyne COc1ccc(C(=O)[C@H]2[C@@H]3[C@H](C(=O)[C@H]4OC[C@@H]3O4)[C@@H]3C=Cc4ccccc4N32)c(OC)c1 ZINC000013813072 IF Annotated Anodyne COc1cccc(CS(=O)(=O)c2nnnn2-c2ccc(F)cc2Br)c1 ZINC000013815236 IF Annotated Anodyne COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(CCCOC(C)C)C=C2C1=O ZINC000013817047 IF Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(CCCOC(C)C)C=C2C1=O ZINC000013817050 IF Annotated Mild COCCNCCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817134 IF Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccco3)C=C2C1=O ZINC000013817164 IF Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccco3)C=C2C1=O ZINC000013817168 IF Annotated Mild CC(=O)OCCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817184 IF Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(c3cccc(C#N)c3)C=C2C1=O ZINC000013817393 IF Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(c3cccc(C#N)c3)C=C2C1=O ZINC000013817396 IF Annotated Mild O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2[nH]c(=O)oc2c1 ZINC000013817632 IF Annotated Anodyne CCCCc1cc2c(cn1)=C(OC(=O)c1ccc(Cl)nc1)[C@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817882 IF Annotated Anodyne CCCCc1cc2c(cn1)=C(OC(=O)c1ccc(Cl)nc1)[C@@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817885 IF Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)C[C@@H](CCCO)CCCO2)cc1 ZINC000013829142 IF Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@]2(C(F)(F)F)C[C@@H](CCCO)CCCO2)cc1 ZINC000013829144 IF Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)C[C@H](CCCO)CCCO2)cc1 ZINC000013829146 IF Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@]2(C(F)(F)F)C[C@H](CCCO)CCCO2)cc1 ZINC000013829148 IF Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)C/C(=C/CCO)CCCO2)cc1 ZINC000013829195 IF Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@]2(C(F)(F)F)C/C(=C/CCO)CCCO2)cc1 ZINC000013829197 IF Annotated Anodyne O=c1c2cccn2c2ncccc2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000013861549 IF Annotated Anodyne O=c1n(CCNC(=S)Nc2ccc(Br)cn2)c2ccccc2c2ccnn12 ZINC000013861550 IF Annotated Anodyne OC[C@@H]1COC[C@@H](CN2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)O1 ZINC000013861688 IF Annotated Anodyne OC[C@H]1COC[C@@H](CN2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)O1 ZINC000013861689 IF Annotated Anodyne OC[C@@H]1COC[C@H](CN2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)O1 ZINC000013861690 IF Annotated Anodyne OC[C@H]1COC[C@H](CN2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)O1 ZINC000013861691 IF Annotated Anodyne N[C@@H](CS)C(=O)Nc1ccc(NC(=O)C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000013863778 IF Annotated Mild C[C@H](NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc([N+](=O)[O-])cc2)CS1 ZINC000013864134 IF Annotated Mild C[C@H](NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc(C#N)cc2)CS1 ZINC000013864135 IF Annotated Mild C[C@@H](NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc(C#N)cc2)CS1 ZINC000013864146 IF Annotated Mild O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 ZINC000013864292 IF Annotated Bother CNc1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCN)n1 ZINC000013864376 IF Annotated Anodyne O=C1C(C2=N[C@@H](C(=O)O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000013865040 IF Annotated Mild O=C1C(C2=N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000013865042 IF Annotated Mild CCOC(=O)c1c2n(c3cc(N4CCN(CC(C)=O)CC4)c(F)cc3c1=O)[C@@H](C)S2 ZINC000013883925 IF Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C[C@@H](C)N1C ZINC000013889841 IF Annotated Anodyne COc1ccccc1[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N ZINC000135854294 IF Annotated Anodyne CC(=O)O[C@]1(C)[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]12 ZINC000135872135 IF Annotated Reactive CC(=O)O[C@]1(C)[C@@H](OC(=O)[C@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]12 ZINC000135872196 IF Annotated Reactive C/C1=C/C/C=C(/Cl)CC[C@H]2C[C@H](OC(=O)C[C@@H]1O)[C@H]([C@H](O)/C=C(\C)CC(=O)O)O2 ZINC000136213329 IF Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@@](C)(C=CC3=O)C(=O)[C@H](O)C(=C1C)C2(C)C ZINC000136226666 IF Annotated Mild CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C)C(=O)N1CCOCC1 ZINC000136322655 IF Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C)C(=O)N1CCOCC1 ZINC000136322711 IF Annotated Anodyne C=C1CC[C@H]2[C@](C)(COC(C)=O)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000136384086 IF Annotated Reactive COn1cc([C@H]2CCN=C(NC(C)=O)N2)c2cc(Br)c(Br)cc21 ZINC000136475878 IF Annotated Anodyne COn1cc([C@@H]2CCN=C(NC(C)=O)N2)c2cc(Br)c(Br)cc21 ZINC000136475920 IF Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000136790631 IF Annotated Mild O=C(NC(=S)N1CCNC1=S)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000137022709 IF Annotated Anodyne CC(C)CCN1C(=O)[C@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)[C@@H]1Cc1ccccc1 ZINC000137220330 IF Annotated Anodyne CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137284203 IF Annotated Mild CO[C@@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000137292005 IF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000137292063 IF Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)[C@]2(O)C[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@@H]([C@@H]34)[C@@]2(C)[C@H]1OC(C)=O ZINC000137425036 IF Annotated Anodyne C=C(C)[C@H](O)CC[C@@]1(C)[C@@H](O)C=C(CO)C(=O)/C(=C\C(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000137425545 IF Annotated Mild CC(C)(C)[C@H]1C(=O)[C@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000137939499 IF Annotated Anodyne CC(C)(C)[C@H]1C(=O)[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000137939598 IF Annotated Anodyne COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6ccc7c(c6N(C(=O)OC)[C@]15CC2)OCO7)[C@@H]43 ZINC000137954393 IF Annotated Anodyne C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@]5([C@@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(C)=O)[C@@H]1OC(C)=O ZINC000138019665 IF Annotated Mild C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)C=CC(=O)[C@]21C ZINC000138049012 IF Annotated Mild COc1ccc2c3c(n(CCCN4CCOCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2 ZINC000138134879 IF Annotated Clean C=C[C@H](Cl)[C@@](C)(O)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000138267085 IF Annotated Reactive Cc1c(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)[n+](=O)c2ccccc2n1O ZINC000138309905 IF Annotated Anodyne COc1ccc2c(c1)[n+](=O)c(C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C)c(C)n2O ZINC000138311774 IF Annotated Anodyne C[C@]1(c2ccc(S(N)(=O)=O)cc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000138767284 IF Annotated Anodyne C[C@@]1(c2ccc(S(N)(=O)=O)cc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000138767416 IF Annotated Anodyne O=C1C[C@@H](c2ccc(O)cc2)NCCCN(C(=O)/C=C\c2ccc(O)cc2)CCCCN1 ZINC000138825897 IF Annotated Anodyne O=C1C[C@@H](c2ccc(O)cc2)NCCCN(C(=O)/C=C/c2ccc(O)cc2)CCCCN1 ZINC000138826028 IF Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N(Cc2c(F)cccc2F)[C@@H]2CCN(C#N)C2)c1 ZINC000139037048 IF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)[C@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000139659257 IF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000139659504 IF Annotated Anodyne C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O ZINC000139927114 IF Annotated Anodyne COC(=O)[C@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000139964630 IF Annotated Reactive CCCCCCCC[C@@H](C(=O)N[C@H]1CCCCN(CCOC)C1=O)[C@H](C)C(=O)NO ZINC000014299654 IF Annotated Mild CC(C)C1=C2C3=CC=C(C=O)C[C@@H](O[C@@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000014447179 IF Annotated Reactive in-man endogenous CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000014447182 IF Annotated Reactive in-man endogenous CC(C)C1=C2C3=CC=C(C=O)C[C@@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000014447184 IF Annotated Reactive in-man endogenous CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000014447186 IF Annotated Reactive in-man endogenous COc1ccc(C(=O)O[C@H]2CCN3C[C@@H]4C[C@@H](CN5C(=O)CCC[C@H]45)[C@@H]3C2)cc1OC ZINC000014487439 IF Annotated Anodyne Cc1nc(NC(=O)N2C[C@H](N(C)C)C[C@H]2C(N)=O)sc1-c1csc(C2(C)CC2)n1 ZINC000140016754 IF Annotated Anodyne Cc1nc(NC(=O)N2C[C@@H](N(C)C)C[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000140016919 IF Annotated Anodyne Cc1nc(NC(=O)N2C[C@H](N(C)C)C[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000140024804 IF Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000140154568 IF Annotated Anodyne C=C(C)[C@H]1C/C=C(/C(=O)OC)CC(=O)C[C@@](C)(O)/C=C2\C=C(C(=O)OC)[C@@](OC)(C1)O2 ZINC000140219199 IF Annotated Mild C[C@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)[C@H](O)C[C@]2(C)[C@H]1C3 ZINC000140259732 IF Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000140386242 IF Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000140386396 IF Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000140386545 IF Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000140452422 IF Annotated Mild COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@H](O)CO ZINC000140542716 IF Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@@H](O)CO ZINC000140542894 IF Annotated Anodyne C#C/C=C\C[C@H]1O[C@H]([C@H](CC)OC(C)=O)C[C@@H](OC(C)=O)[C@H](Cl)C[C@H]1OC(C)=O ZINC000140616476 IF Annotated Reactive CCCC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@@]12[C@H]43 ZINC000140743969 IF Annotated Anodyne Cc1cn(C[C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)c(=O)[nH]c1=O ZINC000140809349 IF Annotated Anodyne CC(=O)O[C@]1(C)CCC[C@@](C)(O)[C@@H]2O[C@H]([C@@H]1O)[C@@H]1[C@H]2[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O ZINC000141163347 IF Annotated Anodyne CCOc1cccc2c1S(=O)(=O)N/C2=C1\C(=O)[C@H](C(C)(C)C)N(CCC(C)C)C1=O ZINC000141541915 IF Annotated Mild C[C@H](CO)NCc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 ZINC000141660100 IF Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@@H](C)[C@@H]3CC(=O)NO3)n2)cc(OC)c1OC ZINC000141876070 IF Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@@H]3CC(=O)NO3)n2)cc(OC)c1OC ZINC000141876280 IF Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@@H](C)[C@H]3CC(=O)NO3)n2)cc(OC)c1OC ZINC000141876479 IF Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CC(=O)NO3)n2)cc(OC)c1OC ZINC000141876679 IF Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@H]1CCOC1 ZINC000141905363 IF Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@@H]1CCOC1 ZINC000141907250 IF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000142131694 IF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000142131909 IF Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc(NC(C)=O)nc2)c1F ZINC000142145317 IF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#N)cc1[C@@]21N=C(N)N(CCc2nccs2)C1=O ZINC000142283495 IF Annotated Mild COC1CCC2(CC1)Cc1ccc(C#N)cc1[C@]21N=C(N)N(CCc2nccs2)C1=O ZINC000142283674 IF Annotated Mild Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000142323151 IF Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cn1 ZINC000142323365 IF Annotated Anodyne Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000142331549 IF Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccc(F)cc2)[C@H](N)CC3)c1 ZINC000142889706 IF Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccc(F)cc2)[C@@H](N)CC3)c1 ZINC000142889914 IF Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccc(F)cc2)[C@H](N)CC3)c1 ZINC000142890109 IF Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccc(F)cc2)[C@@H](N)CC3)c1 ZINC000142890300 IF Annotated Anodyne CC(C)(C)[C@@H](O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142893049 IF Annotated Anodyne CC(C)(C)[C@H](O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142893258 IF Annotated Anodyne Cc1cc(CNC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)c(=O)[nH]n1 ZINC000142910694 IF Annotated Anodyne CO[C@@H](CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)C(C)C ZINC000142929471 IF Annotated Anodyne CO[C@H](CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)C(C)C ZINC000142929682 IF Annotated Anodyne CCOc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cn1 ZINC000142938695 IF Annotated Anodyne CCOc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)cn1 ZINC000142938923 IF Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CCNc3ccccc3)ccc1-2 ZINC000142969982 IF Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CCNc3ccccc3)ccc1-2 ZINC000142970180 IF Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)C2=O ZINC000142985100 IF Annotated Anodyne CCOc1ncccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142999124 IF Annotated Anodyne CCOc1ncccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142999357 IF Annotated Anodyne CCC(O)(CC)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143023881 IF Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COCC3CCCC3)ccc1-2 ZINC000143045801 IF Annotated Anodyne CN(C1CCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)CC1)S(C)(=O)=O ZINC000143220300 IF Annotated Anodyne Cn1cc(-c2ccnc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc1C(N)=O ZINC000143384402 IF Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(C[C@@H]2CCCO2)C3=O)C[C@H]1C ZINC000143439833 IF Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CCC2COC2)C3=O)C[C@H]1C ZINC000143440265 IF Annotated Anodyne CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)cn4)c3CO)ncc2c1 ZINC000143440839 IF Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC2(C)COC2)C3=O)C[C@H]1C ZINC000143441826 IF Annotated Anodyne CC[C@H]1C[C@@]2(CC[C@@H]1OC)Cc1ccc(C#N)cc1[C@]21N=C(N)N(C[C@H]2CCCO2)C1=O ZINC000143443718 IF Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(C[C@H]2CCCO2)C3=O)C[C@H]1C ZINC000143445830 IF Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(Cc2ccncn2)C3=O)C[C@H]1C ZINC000143465609 IF Annotated Anodyne CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4ccc(C(N)=O)n4)c3CO)ncc2c1 ZINC000143509377 IF Annotated Anodyne Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)ccc4c3=O)c2CO)nc1C(N)=O ZINC000143532886 IF Annotated Anodyne Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)nc1C(N)=O ZINC000143553594 IF Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC2CCC2)C(C)C)ccc1OC ZINC000143675760 IF Annotated Anodyne CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(OC)ccc1-n1nccn1 ZINC000143676308 IF Annotated Anodyne COC[C@@]1(C(N)=O)CCCN1C(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C)n2)s1 ZINC000143699767 IF Annotated Anodyne C/C=C1/CN2CC[C@@]34Cc5occc(=O)c5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14 ZINC000143737163 IF Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000143783422 IF Annotated Mild Cc1cccc(N2CCN(Cc3cn[nH]c3-c3ccc4oc(=O)[nH]c(=O)c4c3)CC2)c1C ZINC000144037664 IF Annotated Anodyne CN(C(=O)c1cnn(C)c1C(=O)NCCc1nc(-c2ccccc2)cn1C)C1CCCC1 ZINC000144088306 IF Annotated Anodyne CCc1cc(-c2nc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)c(C)s2)ccn1 ZINC000144116144 IF Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN[C@@H](COC)C2)cc1 ZINC000144119197 IF Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C(=O)CN)CC2)cc1 ZINC000144130283 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C#N)ccc4nc3NC3CC3)CC2)cc1 ZINC000144348314 IF Annotated Anodyne COc1ccc(CN2CCN(c3nc4c(C#N)nccc4nc3NC3CC3)CC2)c(F)c1 ZINC000144386721 IF Annotated Anodyne O=S(=O)(c1ccccc1)N1CCN(c2nc3cc(F)ccc3nc2NC2CC2)CC1 ZINC000144459205 IF Annotated Anodyne CCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](NC1(C#N)COC1)CC2 ZINC000144565784 IF Annotated Mild CCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](NC1(C#N)COC1)CC2 ZINC000144565994 IF Annotated Mild CCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](NC1(C#N)COC1)CC2 ZINC000144566184 IF Annotated Mild CCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](NC1(C#N)COC1)CC2 ZINC000144566371 IF Annotated Mild CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](O)CO)nc3)cc(-c3ccccn3)c2s1 ZINC000144673996 IF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@H](O)CO)nc3)cc(-c3ccccn3)c2s1 ZINC000144674168 IF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)CNC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144716026 IF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CC[C@H](N)CC3)c2c1=O ZINC000144802992 IF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CC[C@@H](N)CC3)c2c1=O ZINC000144803195 IF Annotated Anodyne O=C(c1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(OCCO)C1 ZINC000144803996 IF Annotated Anodyne O=C(c1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(OCCO)C1 ZINC000144804221 IF Annotated Anodyne CN(CCO)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144812221 IF Annotated Anodyne CN(CCO)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144812429 IF Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC(O)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144822650 IF Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC(O)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144822863 IF Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC(CO)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144823065 IF Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC(CO)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144823260 IF Annotated Anodyne CN(CCO)C(=O)c1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144825721 IF Annotated Anodyne CN(CCO)C(=O)c1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144825914 IF Annotated Anodyne CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2N(S(=O)(=O)c2cn(C)cn2)C3)cc1 ZINC000144868025 IF Annotated Anodyne NC(=O)c1cc(OCCN2CCCOC2=O)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144909129 IF Annotated Anodyne NC(=O)c1cc(OCCN2CCCOC2=O)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144909332 IF Annotated Anodyne Cn1cc(-c2cc(OCC(CO)CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144912138 IF Annotated Anodyne Cn1cc(-c2cc(OCC(CO)CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144912349 IF Annotated Anodyne COc1cc(C)c2c(c1C)Oc1c(c(COC(C)=O)c(O)c3c1[C@H](O)OC3=O)OC2=O ZINC000014514377 IF Annotated Anodyne CC(C)CC[C@H]1O[C@H](CC(=O)O)Cc2cc3c(c(O)c21)C(=O)c1sc(=O)n(C)c1C3=O ZINC000014593994 IF Annotated Clean C=CC/C=C/Cc1csc(C(C)(C)[C@H](O)C/C=C\[C@@](O)(CO)CCNC(=O)OC)n1 ZINC000014611717 IF Annotated Mild COc1ccc(Cc2nc(/N=C3/C(=O)N(C)C(=O)N3C)n(C)c2Cc2ccc(O)cc2)cc1 ZINC000014611941 IF Annotated Mild COc1ccc(Cc2nc(/N=C3\NC(=O)N(C)C3=O)[nH]c2Cc2ccc(OC)cc2)cc1 ZINC000014611943 IF Annotated Mild O=C(O)/C=C/C=C/C=C/[C@@]1(O)C=C(NC(=O)/C=C/C=C/C2CCCCC2)C(=O)[C@@H]2O[C@@H]21 ZINC000014614019 IF Annotated Mild in-vitro COc1cc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc2c1OCO2 ZINC000014616670 IF Annotated Anodyne COc1cc(-c2oc3c(OC)c4c(c(OC)c3c(=O)c2OC)OCO4)cc2c1OCO2 ZINC000014616675 IF Annotated Anodyne O=C(Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)CC2)c1cc(O)c(O)c(O)c1 ZINC000014643155 IF Annotated Clean in-vitro O=C(Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)CC2)c1cc(O)c(O)c(O)c1 ZINC000014643158 IF Annotated Clean in-vitro COc1ccc(C[C@H]2COC(=O)[C@]2(Cc2ccc(OC)c(OC)c2)OC(C)=O)cc1OC ZINC000014646909 IF Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN(C)CCc3c([nH]c4cc(OC)c(OC)cc34)C(=O)C[C@H]12 ZINC000014655469 IF Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000014681044 IF Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000014681046 IF Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000014681047 IF Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000014681049 IF Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000014681079 IF Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000014681081 IF Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000014681083 IF Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000014681084 IF Annotated Reactive in-man endogenous C=C(C)[C@@H](C/C=C(\CC(C)=O)C(=O)OC)C[C@@]1(OC)O/C(=C\C(C)=O)C=C1C(=O)OC ZINC000014694876 IF Annotated Mild CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C1CCOCC1)CC2 ZINC000014742670 IF Annotated Anodyne COc1ccc(OC(C)=O)c2c1C(=O)c1c(cc(OC(C)=O)c(C)c1OC(C)=O)C2=O ZINC000014760897 IF Annotated Clean CC(=O)Oc1cc2oc3c(OC(C)=O)c(OC(C)=O)ccc3c(=O)c2cc1OC(C)=O ZINC000014764594 IF Annotated Bother C[C@@H](CCOc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1)C1=CC(=O)C(C)(C)O1 ZINC000014769737 IF Annotated Mild COc1cc(C)c2c3c1CO[C@@](C)(O)O[C@@H]1OC(=O)c4c(O)c(C)c(c(c41)O3)OC2=O ZINC000014828554 IF Annotated Anodyne O=CN1CCCN(C(=O)CCN2Cc3ccccc3O[C@H](c3ccccc3F)C2)CC1 ZINC000014879319 IF Annotated Anodyne O=CN1CCCN(C(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)CC1 ZINC000014879320 IF Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](CC(=O)NO)CO[C@@H](CO)[C@@H]1O ZINC000014880183 IF Annotated Mild in-vivo CCCCNS(=O)(=O)c1ccc(-n2nc(C(=O)OCC)c3c2-c2c[nH]nc2CC3)cc1 ZINC000014945840 IF Annotated Anodyne NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3cccc(/C=C\c4ccc(O)cc4)c32)cc1 ZINC000014945903 IF Annotated Mild CCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(Cc3nccn3C)c(CC)c2n1 ZINC000014955552 IF Annotated Anodyne CS(=O)(=O)c1cccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)c1 ZINC000014958755 IF Annotated Anodyne in-vivo COc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(Br)c(OC)c1OC ZINC000014974555 IF Annotated Anodyne O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1 ZINC000014976985 IF Annotated Anodyne O=C(Nc1cnn(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)c1)c1ccco1 ZINC000014978070 IF Annotated Anodyne O=C(C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCSCC1 ZINC000014989162 IF Annotated Anodyne O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCSCC1 ZINC000014989164 IF Annotated Anodyne C[C@@H]1CN(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)Cc2cc(Cl)ccc2O1 ZINC000014990385 IF Annotated Anodyne C[C@H]1CN(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)Cc2cc(Cl)ccc2O1 ZINC000014990387 IF Annotated Anodyne CN(C[C@@H]1Cc2ccccc2O1)C(=O)CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000014990617 IF Annotated Anodyne CN(C[C@H]1Cc2ccccc2O1)C(=O)CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000014990619 IF Annotated Anodyne CN(C[C@@H]1Cc2ccccc2O1)C(=O)CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000014990621 IF Annotated Anodyne CN(C[C@H]1Cc2ccccc2O1)C(=O)CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000014990623 IF Annotated Anodyne CSc1ccc(C[C@@]2(CCC(=O)NCC(C)(C)N3CCOCC3)CCC(=O)N2)cc1 ZINC000014993342 IF Annotated Anodyne CSc1ccc(C[C@]2(CCC(=O)NCC(C)(C)N3CCOCC3)CCC(=O)N2)cc1 ZINC000014993344 IF Annotated Anodyne COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2OC)CN1Cc1ccc(C)cc1C ZINC000014995736 IF Annotated Anodyne Nc1nc2c3ccc(NCCN4CCCC4)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 ZINC000145002757 IF Annotated Anodyne O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(F)c(F)c1 ZINC000145040013 IF Annotated Anodyne O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1ccc(F)c(F)c1 ZINC000145040220 IF Annotated Anodyne CCCC(=O)O[C@H]1[C@@H](O)[C@]23[C@H](O)O[C@@H]4OC(=O)[C@H](CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)[C@@H]43 ZINC000145337376 IF Annotated Anodyne N[C@@H](CO)C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145465699 IF Annotated Anodyne N[C@@H](CO)C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145465889 IF Annotated Anodyne COc1c(Br)cc(Cc2c3nc(N)nc-3cc[nH]c2=O)cc1Br ZINC000145655938 IF Annotated Anodyne NC(=O)c1cnn2cc(-c3ccc(F)cc3)cc2c1NC12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 ZINC000146158831 IF Annotated Anodyne NC(=O)c1cnn2cc(-c3ccc(F)cc3)cc2c1NC12CC3C[C@@](O)(C1)C[C@@](O)(C3)C2 ZINC000146159035 IF Annotated Anodyne NC(=O)c1cnn2cc(-c3ccc(F)cc3)cc2c1NC12CC3C[C@](O)(C1)C[C@](O)(C3)C2 ZINC000146159213 IF Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)C[C@H](OC(C)=O)/C=C(C)/C=C2/OC(=O)C(COCC)=C21 ZINC000146438414 IF Annotated Mild Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(S(C)(=O)=O)cc5[nH]4)c3N)ccc2[nH]1 ZINC000146545499 IF Annotated Anodyne C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc([S@@](=N)(=O)CCO)cc2)ncc1Br ZINC000146791160 IF Annotated Anodyne C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc([S@@](=N)(=O)CCO)cc2)ncc1Br ZINC000146791345 IF Annotated Anodyne C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc([S@](=N)(=O)CCO)cc2)ncc1Br ZINC000146791522 IF Annotated Anodyne C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc([S@](=N)(=O)CCO)cc2)ncc1Br ZINC000146791734 IF Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl ZINC000146827382 IF Annotated Anodyne COc1ccc(-c2cccc3c2CCN(S(=O)(=O)Nc2ncns2)C3)c(OC)c1 ZINC000146938879 IF Annotated Anodyne CC1(C)C=Cc2c(ccc3c2NC(=O)[C@@]32C[C@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 ZINC000146953778 IF Annotated Anodyne COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)N(C)C)cc2)CC3)cc1 ZINC000147060221 IF Annotated Anodyne COc1ccc(OC)c(-c2cccc3c2CCN(S(=O)(=O)Nc2ncns2)C3)c1 ZINC000147379537 IF Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5ncc(F)cn5)cc4s3)o2)CC1 ZINC000147410818 IF Annotated Mild COc1cccc(OC)c1-c1cccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147469675 IF Annotated Anodyne C[C@@H](Oc1cc(-c2ccc(CS(C)(=O)=O)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147820997 IF Annotated Anodyne CS(=O)(=O)Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1 ZINC000147830639 IF Annotated Anodyne Cc1ccc(C(=O)NC[C@@H]2CCOC2)cc1Nc1ncnc2cnc(N3CCCC3)nc12 ZINC000148220516 IF Annotated Anodyne Cc1ccc(C(=O)NC[C@H]2CCOC2)cc1Nc1ncnc2cnc(N3CCCC3)nc12 ZINC000148220697 IF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148243278 IF Annotated Mild COC[C@@H](C)NCc1ccc(F)c([C@]23CO[C@@H](c4cnn(C)c4)C[C@H]2CSC(N)=N3)c1 ZINC000148303148 IF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N(C)CCCO)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148384136 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148526726 IF Annotated Mild Cc1ncnc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c1C#Cc1ccc(N)nc1 ZINC000148558916 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148576833 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@@H](O)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148580722 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@H](O)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148580914 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148592526 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148636669 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148664069 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148694460 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N[C@@H]3CCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148696725 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N[C@H]3CCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148696970 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCO)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148698693 IF Annotated Mild NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(F)cc2)cc1 ZINC000148708927 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCOC)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148748854 IF Annotated Mild CCc1ncnc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1C#Cc1ccc(N)nc1 ZINC000148750240 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148751741 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148768844 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148809207 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@H]3CO)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148813505 IF Annotated Mild N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2cnc3c(N)n[nH]c3n2)cc1 ZINC000148865707 IF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCC[C@@H](O)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148878505 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@H](O)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148878695 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCN(C)C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148952971 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148956416 IF Annotated Mild COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1 ZINC000149174961 IF Annotated Anodyne COc1cc(C2=NCC(=O)N3CCc4c(I)cccc4C3=C2)ccn1 ZINC000149264405 IF Annotated Anodyne Cc1cn(C2=NCC(=O)N3CCc4c(I)cccc4C3=C2)c(C)n1 ZINC000149269302 IF Annotated Anodyne CC[C@H]1CN2CCC[C@@H]2CN1C(=O)N1Cc2c(CC(=O)c3ccccn3)n[nH]c2C1(C)C ZINC000149390796 IF Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CCC(F)(F)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000149615854 IF Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(Cl)cc3[C@]23N=C(N)N(Cc2ncccn2)C3=O)C[C@@H](C)[C@@H]1O ZINC000149630634 IF Annotated Anodyne C[C@H]1C[C@@]2(CC[C@@H]1O)Cc1ccc(C#N)cc1[C@]21N=C(N)N(CC2CC(F)(F)C2)C1=O ZINC000149635184 IF Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC2CC(F)(F)C2)C3=O)C[C@@H](C)[C@@H]1O ZINC000149638138 IF Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CCc2ccncc2)C3=O)C[C@@H](C)[C@@H]1O ZINC000149638795 IF Annotated Anodyne Cc1cc(CN2C(=O)[C@]3(N=C2N)c2cc(C#N)ccc2C[C@]32C[C@H](C)[C@@H](O)[C@H](C)C2)ccn1 ZINC000149639020 IF Annotated Anodyne CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 ZINC000149766202 IF Annotated Anodyne CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1O ZINC000149795310 IF Annotated Reactive CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000149811385 IF Annotated Reactive O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cc(C(F)(F)F)ncn2)c1 ZINC000149862246 IF Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cncc(C(F)(F)F)n2)c1 ZINC000149869552 IF Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cn(-c2ccc(OC(F)F)cc2)nn1 ZINC000149876700 IF Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccnc(C(F)(F)F)n2)c1 ZINC000149904918 IF Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cnn(-c2cncc(C(F)(F)F)n2)c1 ZINC000149912138 IF Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cnc(C(F)(F)F)cn2)c1 ZINC000149921206 IF Annotated Anodyne CCS(=O)(=O)CCC(=O)NCC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000001535882 IF Annotated Anodyne COc1cc([C@@H]2c3c(cc4c(c3OC)OCO4)C[C@H]3COC(=O)[C@@H]32)cc(OC)c1OC ZINC000001541539 IF Annotated Anodyne in-vitro biogenic COC(=O)c1c(C(=O)Cc2cc3c(cc2CCN(C)C)OCO3)ccc(OC)c1OC ZINC000001563223 IF Annotated Anodyne Cc1cc(C)n(-c2ccc(S(=O)(=O)N3CC(=O)N(c4ccccc4)C3=S)cc2)n1 ZINC000001576523 IF Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(O)c(OC)c2)c2cc3c(cc2O[C@]1(C)O)OCO3 ZINC000001614055 IF Annotated Anodyne Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc(S(C)(=O)=O)nc1S(C)(=O)=O ZINC000001618948 IF Annotated Anodyne CCOC(=O)C(Cc1c(C=O)[nH]c2ccccc12)(NC(=O)c1ccccc1)C(=O)OCC ZINC000001619637 IF Annotated Anodyne Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(\NC(=O)/C=C/c1ccccc1)C(=O)NN ZINC000001629733 IF Annotated Reactive COc1ccc2c(c1OC)C(=O)N/C2=C/c1c(CCN(C)C)cc2c(c1OC)OCO2 ZINC000001635918 IF Annotated Anodyne CC(=O)c1ccc(N2CCN(C3=C(Cl)C(=O)c4c(O)ccc(O)c4C3=O)CC2)cc1 ZINC000001637742 IF Annotated Mild COC(=O)N1[C@@H]2[C@H](C[C@@]1(C)C(=O)OC)c1ccccc1N2S(=O)(=O)c1ccccc1 ZINC000001639339 IF Annotated Anodyne COC(=O)c1c(C(=O)OC)c2ccccn2c1-c1cc(OC)c(Br)c(=O)o1 ZINC000001639359 IF Annotated Anodyne O=C1C=C(NCCc2cc(Br)c(O)c(Br)c2)C(=O)c2[nH]cnc21 ZINC000001642082 IF Annotated Mild COC(=O)[C@H]1CCC(=O)N1[C@H](c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 ZINC000001645058 IF Annotated Anodyne COC(=O)[C@H]1CCC(=O)N1[C@@H](c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 ZINC000001645059 IF Annotated Anodyne COC(=O)[C@@H]1CCC(=O)N1[C@H](c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 ZINC000001645060 IF Annotated Anodyne COC(=O)[C@@H]1CCC(=O)N1[C@@H](c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 ZINC000001645061 IF Annotated Anodyne CC(C)(C)n1c(=O)n(C(=O)C(Cl)(Cl)Cl)n(C(=O)C(Cl)(Cl)Cl)c1=O ZINC000001645254 IF Annotated Anodyne Cc1[nH]c(=O)nc(NCCNCCO)c1C(=O)Nc1cccc2cc3ccccc3cc12 ZINC000001647200 IF Annotated Bother N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O ZINC000001650965 IF Annotated Mild Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 ZINC000001650967 IF Annotated Mild N[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCBr)CCBr ZINC000001651191 IF Annotated Reactive CN(C)c1n2c3cc([N+](=O)[O-])ccc3[n+]3c(N(C)C)n4ccccc4c3c2c2cccc[n+]12 ZINC000001651694 IF Annotated Bother COc1cc([C@H]2c3cc(OC)c(OC)c(O)c3C(=O)[C@H]3CCC(=O)N23)cc(OC)c1OC ZINC000001654655 IF Annotated Anodyne COc1cc([C@@H]2c3cc(OC)c(OC)c(O)c3C(=O)[C@H]3CCC(=O)N32)cc(OC)c1OC ZINC000001654656 IF Annotated Anodyne COc1cc([C@H]2c3cc(OC)c(OC)c(O)c3C(=O)[C@@H]3CCC(=O)N32)cc(OC)c1OC ZINC000001654657 IF Annotated Anodyne COc1cc([C@@H]2c3cc(OC)c(OC)c(O)c3C(=O)[C@@H]3CCC(=O)N32)cc(OC)c1OC ZINC000001654658 IF Annotated Anodyne COc1c2c(cc3oc(C)cc(=O)c13)OC(=N)[C@@H](C(N)=O)[C@@H]2CC(=O)c1ccc(N)cc1 ZINC000001654872 IF Annotated Anodyne Cc1c(C)c(S(=O)(=O)N(CCCCN)OCCCN)c(C)c2c1OC(C)(C)CC2 ZINC000001655138 IF Annotated Anodyne C[C@H]1CNC(c2cccc(-c3nc(-c4cccc(C5=N[C@@H](C)CN5)c4)nc(N(C)C)n3)c2)=N1 ZINC000001658581 IF Annotated Anodyne C[C@H]1CNC(c2cccc(-c3nc(-c4cccc(C5=N[C@H](C)CN5)c4)nc(N(C)C)n3)c2)=N1 ZINC000001658582 IF Annotated Anodyne C[C@@H]1CNC(c2cccc(-c3nc(-c4cccc(C5=N[C@H](C)CN5)c4)nc(N(C)C)n3)c2)=N1 ZINC000001658584 IF Annotated Anodyne C[C@H]1CNC(c2ccc(-c3nc(-c4ccc(C5=N[C@@H](C)CN5)cc4)nc(N(C)C)n3)cc2)=N1 ZINC000001658585 IF Annotated Anodyne C[C@H]1CNC(c2ccc(-c3nc(-c4ccc(C5=N[C@H](C)CN5)cc4)nc(N(C)C)n3)cc2)=N1 ZINC000001658586 IF Annotated Anodyne C[C@@H]1CNC(c2ccc(-c3nc(-c4ccc(C5=N[C@H](C)CN5)cc4)nc(N(C)C)n3)cc2)=N1 ZINC000001658588 IF Annotated Anodyne COC(=O)C(C(=O)OC)[C@H]1CC(=O)c2c(Br)sc(Br)c21 ZINC000001658690 IF Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1CN3C(=O)CC[C@@H]3[C@@H](O)[C@H]1c1cc(OC)c(OC)cc1-2 ZINC000001661612 IF Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccnc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000001810032 IF Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccnc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000001810040 IF Annotated Anodyne Cc1ccccc1O[C@@H](C)C(=O)NN1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S ZINC000001863331 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@@H]3S[C@]21[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000001863621 IF Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(O)c2)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000001890469 IF Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(O)c2)[C@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000001890474 IF Annotated Anodyne COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(/C)C(=O)O)OC2=O)[C@]3(C(=O)OC)CC1 ZINC000001996095 IF Annotated Anodyne Cc1nc(N2CCC(C(=O)NCc3ccsc3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000015004006 IF Annotated Anodyne O=C(NCc1ccccc1F)c1ccc(N2CCC(NC[C@@H]3COCCO3)CC2)cc1 ZINC000015006449 IF Annotated Anodyne O=C(NCc1ccccc1F)c1ccc(N2CCC(NC[C@H]3COCCO3)CC2)cc1 ZINC000015006451 IF Annotated Anodyne COC[C@@H]1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1 ZINC000015066232 IF Annotated Anodyne COC[C@H]1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1 ZINC000015066233 IF Annotated Anodyne O=C(CCn1cncn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015078821 IF Annotated Anodyne O=C(CCn1cncn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015078823 IF Annotated Anodyne O=c1oc2c(O)c(Oc3ccc(O)c(O)c3O)cc3c(=O)oc4c(O)c(O)cc1c4c23 ZINC000015150733 IF Annotated Clean C=C(C)[C@H]1C/C=C(/C(=O)OC)CC(=O)C[C@@](C)(O)/C=C2/C=C(C(=O)OC)[C@@](OC)(C1)O2 ZINC000015158834 IF Annotated Mild CC(C)C1=C2[C@@H]3CC=C(CO)[C@@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000015203075 IF Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC=C(CO)[C@@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000015203078 IF Annotated Anodyne in-man endogenous CC(C)C1=C2[C@@H]3CC=C(CO)[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000015203081 IF Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC=C(CO)[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000015203083 IF Annotated Anodyne in-man endogenous CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000015203086 IF Annotated Reactive in-man endogenous CC(C)C1=C2[C@H]3CC=C(C=O)[C@@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000015203089 IF Annotated Reactive in-man endogenous CC(C)C1=C2[C@@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000015203090 IF Annotated Reactive in-man endogenous CC(C)C1=C2[C@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000015203093 IF Annotated Reactive in-man endogenous COc1cc(O)c([C@@]2(O)c3cccc(O)c3C(=O)c3c(O)cc(C)cc32)c(O)c1C(C)=O ZINC000015217320 IF Annotated Anodyne in-vitro biogenic COc1c(C(C)=O)c(O)cc(O)c1[C@@]1(O)c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000015217322 IF Annotated Anodyne COC/C=C1/C[N+]2([O-])[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@H]3[C@H]1C[C@@H]52 ZINC000015252305 IF Annotated Bother C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC(C)(C)Cl)C3=O)C[C@@H](C)[C@@H]1O ZINC000150106183 IF Annotated Anodyne O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4c(c3)OCO4)cc2)C1 ZINC000150115849 IF Annotated Anodyne Cn1cnc2cc(-c3ccc(-n4c(C[C@@H]5CCN(C(=O)C6CC6)C5)n[nH]c4=O)cc3)ccc21 ZINC000150230802 IF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncnn4CCO)cc3)c2n1 ZINC000150330057 IF Annotated Anodyne COc1cc(COC(=O)Oc2ccc(CNC(C)=O)cc2OC)c([N+](=O)[O-])cc1OC ZINC000015778827 IF Annotated Bother COC(=O)Cn1c(O)c(/N=N\C(=O)CNC(=O)COc2cccc(C)c2)c2ccccc21 ZINC000015836987 IF Annotated Clean COC1=C/C(=C/c2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)C=C([N+](=O)[O-])C1=O ZINC000015879031 IF Annotated Mild CCOc1cccc(-c2c(C(=O)N/N=C(/C)c3cccs3)nnn2-c2nonc2N)c1 ZINC000015899665 IF Annotated Reactive COc1ccc(C2=NO[C@H]3C[C@](C(=O)NC(C)C)(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000015934737 IF Annotated Anodyne CCOC(=O)/C=C1\CN(Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc21 ZINC000015934993 IF Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000015935110 IF Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000015935111 IF Annotated Bother CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@]21C ZINC000015936626 IF Annotated Anodyne COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c1 ZINC000015937514 IF Annotated Bother COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c1 ZINC000015937516 IF Annotated Bother CCN1CCN(C(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3n(CC)c2=O)CC1 ZINC000015942477 IF Annotated Anodyne O=C(Cn1[nH]cc2c3ccccc3nc-2c1=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000015943204 IF Annotated Anodyne CC1=Nc2ccc(C)cc2/C1=C/c1c(N)n2c(S(=O)(=O)C(C)C)nsc2nc1=O ZINC000015953228 IF Annotated Anodyne Cc1cc(C(=O)NN/C=C2\C=C(Br)C=C([N+](=O)[O-])C2=O)c2ccccc2n1 ZINC000015974071 IF Annotated Reactive Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CNC(=S)Nc5ccc(F)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000015974125 IF Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CNC(=S)Nc5ccc(F)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000015974126 IF Annotated Anodyne COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C\c1cccc(OC)c1 ZINC000015979079 IF Annotated Mild CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1C(=O)O)c1cccc(Cl)c1Cl ZINC000015985256 IF Annotated Reactive CCN(c1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1)S(C)(=O)=O ZINC000016940408 IF Annotated Anodyne O=C1OC[C@@H](C2CCNCC2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165244059 IF Annotated Anodyne O=C1OC[C@H](C2CCNCC2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165244174 IF Annotated Anodyne C/C(=C\[C@@H](O)[C@H]1O[C@H](CC/C(Cl)=C/C/C=C2\C=CC(=O)OC2)C[C@H]1O)CC(=O)O ZINC000166748732 IF Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000166794503 IF Annotated Reactive NC(=O)c1cccc2c(N[C@@H](CCO)C3=CCCC(NC(=O)c4ccccc4)=C3)ncnc12 ZINC000166950560 IF Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCO)C3=CCCC(NC(=O)c4ccccc4)=C3)ncnc12 ZINC000166950660 IF Annotated Anodyne COc1cc(C(=O)NC2=CCCC([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)=C2)ccn1 ZINC000166981593 IF Annotated Anodyne COc1cc(C(=O)NC2=CCCC([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)=C2)ccn1 ZINC000166981684 IF Annotated Anodyne Cc1nc(=O)cc(N2C[C@H]3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)C[C@H]3C2)[nH]1 ZINC000167099789 IF Annotated Anodyne Cc1nc(=O)cc(N2C[C@@H]3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)C[C@H]3C2)[nH]1 ZINC000167099921 IF Annotated Anodyne Cc1nc(=O)cc(N2C[C@H]3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)C[C@@H]3C2)[nH]1 ZINC000167100019 IF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(-c2ncccn2)c1 ZINC000167123170 IF Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c(-c2ncccn2)c1 ZINC000167123275 IF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCC[C@@H]3CO)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167341816 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3[C@H]4C[C@@H]3N4C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167342733 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)NCC3(C)COC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167359226 IF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](O)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167402225 IF Annotated Mild Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1 ZINC000167888813 IF Annotated Anodyne COC[C@@H](Nc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)[C@@H](C)O ZINC000168140595 IF Annotated Anodyne COC[C@@H](Nc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br)[C@@H](C)O ZINC000168140699 IF Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)nc31)CNCC2 ZINC000168716465 IF Annotated Anodyne NC(=O)CNc1nc2ccccc2n(C2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1=O ZINC000168851229 IF Annotated Anodyne CO[C@H]1[C@@H](O)CC/C(C)=C\[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C(=O)C[C@@H]1O ZINC000169290445 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@@H]3S[C@@]21[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000169290795 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@H]3S[C@]21[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000169290796 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@H]3S[C@@]21[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000169290797 IF Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000169291171 IF Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000169291173 IF Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)OC[C@@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@@H]31 ZINC000169293612 IF Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)OC[C@@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@@H]31 ZINC000169293613 IF Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)OC[C@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000169293614 IF Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)OC[C@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@H]13 ZINC000169293615 IF Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@H](CNCc4ccc(F)cc4)[C@@H](O)C3)c2n1 ZINC000169293996 IF Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](CCSC)NC(=O)C/C=C/[C@@H]1C ZINC000169294355 IF Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](CCSC)NC(=O)C/C=C/[C@@H]1C ZINC000169294356 IF Annotated Anodyne CCOC(=O)c1c2c(c(C)n1C)-c1c(cc(S(=O)(=O)c3ccccc3)c(=O)n1C)CC2 ZINC000169295005 IF Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)CCC[C@H]1C ZINC000169295461 IF Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)NCc2ccco2)c1 ZINC000169295598 IF Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)NCc2ccco2)c1 ZINC000169295599 IF Annotated Anodyne CC1=C[C@@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C(=O)[C@@H]21 ZINC000169297621 IF Annotated Anodyne CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C(=O)[C@H]12 ZINC000169297622 IF Annotated Anodyne C=C1[C@@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000169298483 IF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(COC(C)=O)CC/C=C(/C)[C@@H](O)C/C=C(/C)[C@H]2OC(C)=O ZINC000169299097 IF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(COC(C)=O)CC/C=C(/C)[C@@H](O)C/C=C(\C)[C@H]2OC(C)=O ZINC000169299098 IF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(COC(C)=O)CC/C=C(\C)[C@@H](O)C/C=C(/C)[C@H]2OC(C)=O ZINC000169299099 IF Annotated Mild O=C1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)CS1 ZINC000169299277 IF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169299825 IF Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169299826 IF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169299827 IF Annotated Anodyne CO[C@@H]1OC2=CC[C@@H]3C(=O)NC(=O)[C@@H]3[C@@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000169300878 IF Annotated Anodyne CO[C@@H]1OC2=CC[C@@H]3C(=O)NC(=O)[C@H]3[C@@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000169300881 IF Annotated Anodyne CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3cccc(F)c3)cc2C[C@@H]1C ZINC000169300911 IF Annotated Anodyne N#CC1=CC[C@H]([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@H]3N2CCC3(F)F)C=C1 ZINC000169301705 IF Annotated Reactive N#CC1=CC[C@H]([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3N2CCC3(F)F)C=C1 ZINC000169301706 IF Annotated Reactive O=C1C(C2=N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000169302018 IF Annotated Mild CC(=O)N1C[C@@H](c2c[nH]c3ccccc23)C=C[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1 ZINC000169304686 IF Annotated Anodyne CSC(=S)[C@@H](C#N)C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000169306420 IF Annotated Mild CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1 ZINC000169306665 IF Annotated Anodyne COC(=O)[C@@]12CO[C@@H](C(C)(C)C)N1C(=O)/C(=C(\C)NC13CC4CC(CC(C4)C1)C3)C2=O ZINC000169308871 IF Annotated Mild NC[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312421 IF Annotated Anodyne NC[C@H]1CN(c2ccc3nc(C(F)(F)F)nn3n2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312422 IF Annotated Anodyne NC[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F ZINC000169312426 IF Annotated Anodyne NC[C@H]1CN(c2ccc3nc(C(F)(F)F)nn3n2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F ZINC000169312427 IF Annotated Anodyne CC(C)CO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169313834 IF Annotated Mild CC(C)CO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169313835 IF Annotated Mild CN1C(=O)C[C@@](C(=O)c2ccc(NC(=O)CBr)cc2)(c2ccccc2)C1=O ZINC000169316439 IF Annotated Reactive CN1C(=O)C[C@](C(=O)c2ccc(NC(=O)CBr)cc2)(c2ccccc2)C1=O ZINC000169316440 IF Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(OC(=O)NC3C=CC=CC=C3)cc2)C(=O)OC1=O ZINC000169316773 IF Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)OC1=O ZINC000169316802 IF Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)OC1=O ZINC000169316803 IF Annotated Reactive COc1cc([C@H]2c3cc4c(cc3C[C@H]3CS(=O)(=O)C[C@H]23)OCO4)cc(OC)c1OC ZINC000169318703 IF Annotated Anodyne CCC(=O)Nc1cc(NC(=O)CC)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169320179 IF Annotated Reactive COc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000169322086 IF Annotated Bother COc1cc([C@@H]2[C@H]([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000169322091 IF Annotated Bother CC(=O)c1ccc(NS(C)(=O)=O)c(-c2cc3cc(C(C)=O)ccc3n2S(C)(=O)=O)c1 ZINC000169323471 IF Annotated Anodyne CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21 ZINC000169323664 IF Annotated Anodyne O=C(Cc1ccccc1)O[C@@H]1C=C[C@@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1 ZINC000169324087 IF Annotated Anodyne O=C(Cc1ccccc1)O[C@H]1C=C[C@@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1 ZINC000169324088 IF Annotated Anodyne O=C(Cc1ccccc1)O[C@@H]1C=C[C@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1 ZINC000169324089 IF Annotated Anodyne O=C(Cc1ccccc1)O[C@H]1C=C[C@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1 ZINC000169324090 IF Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(S(=O)(=O)Nc2nccnc2O)cc1 ZINC000169324307 IF Annotated Bother COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41/C=C/C=C/C=C/CO ZINC000169325729 IF Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41/C=C/C=C/C=C/CO ZINC000169325732 IF Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41/C=C/C=C/C=C/CO ZINC000169325737 IF Annotated Anodyne O=C1C[C@](O)(C(Br)Br)C(Br)=C1Br ZINC000169326107 IF Annotated Reactive COC(=O)c1cc(OCCSc2nc(-c3ccccc3)cc(=O)[nH]2)cc(C(=O)OC)n1 ZINC000169327738 IF Annotated Anodyne [O-][n+]1onc2ccc(CN3CCN(/C(=N/c4ccccc4)NCc4ccco4)CC3)cc21 ZINC000169328588 IF Annotated Mild CCCCS(=O)(=O)C[C@@]1(C)OO[C@@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000169330005 IF Annotated Reactive CCCCS(=O)(=O)C[C@@]1(C)OO[C@@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000169330009 IF Annotated Reactive CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000169330010 IF Annotated Reactive COc1cc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000169331402 IF Annotated Bother CCC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCC=C(N2CCOCC2)C1=O ZINC000169331806 IF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C[C@H]3CS(=O)(=O)C[C@@H]32)OCO4)cc(OC)c1OC ZINC000169333278 IF Annotated Anodyne CN(C)CCn1nc(CN(C)C)n(-c2ccc(Cl)cc2C(=O)c2ccccc2)c1=O ZINC000169334263 IF Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@@H](CCl)C5)c1c4n23 ZINC000169334962 IF Annotated Reactive Cc1cc(C)n(-c2ccc(S(=O)(=O)N3CC(=O)N(Cc4ccccc4)C3=S)cc2)n1 ZINC000169336824 IF Annotated Anodyne COc1ccc([C@@H]2[C@@H](CNC(C)=O)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338422 IF Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(NC(C)=O)c2)c(OC)c1 ZINC000169338512 IF Annotated Anodyne C[C@@H](N1CCn2cc(C(F)(F)F)nc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169339813 IF Annotated Anodyne C[C@@H](N1CCn2cc(C(C)(C)C)nc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169339815 IF Annotated Anodyne C=CCNC1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O ZINC000169340178 IF Annotated Mild CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 ZINC000169340882 IF Annotated Mild CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C#N)cc2)C1 ZINC000169340886 IF Annotated Mild CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 ZINC000169341618 IF Annotated Mild CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C#N)cc2)C1 ZINC000169341620 IF Annotated Mild O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1cnc2[nH]ncc2c1 ZINC000169342471 IF Annotated Anodyne O=C(NCc1ccc(S(=O)(=O)c2cncc(Cl)c2)cc1)c1cnc2[nH]ncc2c1 ZINC000169342473 IF Annotated Anodyne CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc([N+](=O)[O-])c(CO)c12 ZINC000169343011 IF Annotated Bother O=C1[C@H]2CC[C@@H]3/C(=N/OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1C1CCCCC1 ZINC000169343395 IF Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1nc[nH]n1)C2 ZINC000169344756 IF Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@@H](c3nc[nH]n3)C[C@@H]1Cc1[nH]ncc12 ZINC000169344758 IF Annotated Anodyne O=C(N/N=C/c1ccc(OCCn2cc(C3(O)CCCCC3)nn2)cc1)c1ccncc1 ZINC000169346133 IF Annotated Reactive N[C@@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(C(=O)O)c2cc(C(F)(F)F)ccc21 ZINC000169346675 IF Annotated Anodyne N[C@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(C(=O)O)c2cc(C(F)(F)F)ccc21 ZINC000169346678 IF Annotated Anodyne C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(Cc3ccccn3)CC2)c1O ZINC000169348315 IF Annotated Reactive C=CCn1c(=O)/c(=C\c2cccc(Cl)c2Cl)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348726 IF Annotated Mild C=CCn1c(=O)/c(=C\c2ccc(Cl)c(Cl)c2)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348727 IF Annotated Mild COCCOc1ccc(-c2ccc(COc3ncccc3C(=O)NCCO)nc2)c(C)c1 ZINC000169349162 IF Annotated Anodyne CNS(=O)(=O)c1cccnc1OCc1ccc(-c2ccc(OCCOC)cc2C)cn1 ZINC000169349164 IF Annotated Anodyne O=C(O)C[C@@H]1S/C(=N\N=C/c2cn(-c3ccccc3)nc2-c2ccc(O)cc2)NC1=O ZINC000169350767 IF Annotated Mild O=C(O)C[C@H]1S/C(=N\N=C/c2cn(-c3ccccc3)nc2-c2ccc(O)cc2)NC1=O ZINC000169350768 IF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(CCc4ccccc4)nn3)CC(=O)[C@@]21C ZINC000169351055 IF Annotated Mild Cn1ncc(C(=O)N2CCC(Nc3cc(=O)n(C)c4cc(F)c(F)cc34)CC2)c1Cl ZINC000169351695 IF Annotated Anodyne Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)n(C)c4ncccc24)C3)c1Cl ZINC000169351709 IF Annotated Anodyne Nc1nc(OCc2cn(-c3n[nH]c4nc(C(F)(F)F)ccc34)nn2)cc(C(F)(F)F)n1 ZINC000169351939 IF Annotated Anodyne CC(C)CCO[C@@H]1C=CC(=O)[C@@H](Cn2cc(CCn3cc(-c4ccccc4)nn3)nn2)O1 ZINC000169353718 IF Annotated Mild COc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncnc(OC(F)F)c3C)c2c1 ZINC000169353757 IF Annotated Anodyne C/C(=N\n1c(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353769 IF Annotated Mild Cc1nc(CNC2CCN(CCn3c(=O)ccc4ccc(C#N)cc43)CC2)ccc1C#N ZINC000169354077 IF Annotated Mild Cc1ncc(CNC2CCN(CCn3c(=O)ccc4ccc(C#N)cc43)CC2)cc1C#N ZINC000169354078 IF Annotated Mild Cc1ncc(CN[C@@H]2CCN(CCn3c(=O)ccc4ccc(C#N)cc43)C[C@@H]2F)cc1C#N ZINC000169354092 IF Annotated Mild O=C1CCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@@H]2CO1 ZINC000169354411 IF Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000169354807 IF Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CC/C=C/C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000169355050 IF Annotated Anodyne CC#CCN1C=C(C(=O)OCC)[C@H](C)N(Cc2ccc(Br)cc2)S1(=O)=O ZINC000169356415 IF Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@@H]1[C@@H](O)C3 ZINC000169356525 IF Annotated Mild C=C1[C@H](O)[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3 ZINC000169356531 IF Annotated Mild C=C1[C@H]2CC[C@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]3C2)[C@H]1O ZINC000169356532 IF Annotated Mild COc1ccc([S@](=O)[C@@H]2CC(=O)O[C@@H](C)CCC/C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000169359979 IF Annotated Anodyne COc1ccc([S@@](=O)[C@@H]2CC(=O)O[C@@H](C)CCC/C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000169359981 IF Annotated Anodyne CN1CCC[C@@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@@H]4SC=CN34)c3cccnc32)C1 ZINC000169362182 IF Annotated Anodyne C=C1[C@@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000169363384 IF Annotated Mild CO[C@@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000169363906 IF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000169363907 IF Annotated Anodyne CC(=O)O[C@@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)NCCc3cccc4ccccc34)[C@H]12 ZINC000169364530 IF Annotated Mild CC(=O)O[C@@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)NCCc3ccc4ccccc4c3)[C@H]12 ZINC000169364646 IF Annotated Mild CCCCS(=O)(=O)C[C@]1(C)OO[C@@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000169365054 IF Annotated Reactive CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000169365056 IF Annotated Reactive CCCCS(=O)(=O)C[C@]1(C)OO[C@@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000169365058 IF Annotated Reactive CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000169365059 IF Annotated Reactive Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000169368843 IF Annotated Reactive Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000169368844 IF Annotated Reactive C/C=C1\CN2CC[C@@]34Cc5occc(=O)c5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14 ZINC000169490463 IF Annotated Anodyne COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c(OC)c1 ZINC000169549408 IF Annotated Mild CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@@]5(C)C[C@]3(CC[C@@H]12)[C@@]41COC(=O)[C@H]1[C@H]5O ZINC000169639579 IF Annotated Anodyne CC[C@@H]1COc2c(OC)c(OC)cc3c2N1[C@@H]1C[C@@H]2OC(=O)C[C@@]24C=CCN2CC[C@@]31[C@H]24 ZINC000169671362 IF Annotated Clean COC(=O)[C@@]1(C)C[C@H]2O[C@H]2[C@]2(C)C3=C(C)C(=O)O[C@H](c4ccoc4)[C@H]3[C@H](OC(C)=O)[C@H]12 ZINC000169675785 IF Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@@H]2C(=O)[C@@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c1O ZINC000169684601 IF Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@H]2C(=O)[C@@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c1O ZINC000169684602 IF Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@@H]2C(=O)[C@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c1O ZINC000169684603 IF Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@H]2C(=O)[C@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c1O ZINC000169684604 IF Annotated Anodyne COC[C@H](Nc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)[C@H](C)O ZINC000169684943 IF Annotated Anodyne COC[C@H](Nc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br)[C@H](C)O ZINC000169684944 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cn3)c2)c2cnc(N)nc21 ZINC000169686156 IF Annotated Mild Cn1cc(C(=O)c2cncc(NC(=O)Cn3cnc(Cl)c3Cl)c2)c2cncnc21 ZINC000169686333 IF Annotated Anodyne CCOc1cc(C2[C@@H](C#N)C(=N)SC(=N)[C@@H]2C#N)ccc1OCCN1CCOCC1 ZINC000169686895 IF Annotated Mild O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccn2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000169687247 IF Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccccn2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000169687248 IF Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)o1 ZINC000169687499 IF Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)o1 ZINC000169687500 IF Annotated Anodyne Cc1ccc([C@@H]2[C@H](C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)o1 ZINC000169687501 IF Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)o1 ZINC000169687502 IF Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000169687631 IF Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000169687632 IF Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000169687633 IF Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000169687634 IF Annotated Anodyne COc1c[c-](/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1=O ZINC000169688545 IF Annotated Reactive CCN(CC)c1ccc(/N=C/c2c(O)n(-c3cc(OC)ccc3OC)c(=O)[nH]c2=O)cc1 ZINC000169688760 IF Annotated Mild COc1cc([C@@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)ccc1OC(=O)N1CCOCC1 ZINC000169688785 IF Annotated Mild COc1cc([C@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)ccc1OC(=O)N1CCOCC1 ZINC000169688786 IF Annotated Mild COC(=O)c1cc(C(=O)OC)cc(-n2c(O)cc(NNC(=O)c3ccc(C)cc3)c2O)c1 ZINC000169689319 IF Annotated Reactive O=C(N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000169690138 IF Annotated Reactive O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccs2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000169690218 IF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccs2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000169690219 IF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccs2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000169690220 IF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccs2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000169690221 IF Annotated Anodyne CCCc1[nH]nc2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169690877 IF Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169690878 IF Annotated Mild CCOc1cc([C@@H]2c3c(n[nH]c3CC)OC(=N)[C@@H]2C#N)ccc1OCCN1CCOCC1 ZINC000169690883 IF Annotated Mild CCOc1cc([C@H]2c3c(n[nH]c3CC)OC(=N)[C@@H]2C#N)ccc1OCCN1CCOCC1 ZINC000169690884 IF Annotated Mild CCCc1[nH]nc2c1[C@@H](c1ccc(OC(=O)N3CCOCC3)c(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169690979 IF Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(OC(=O)N3CCOCC3)c(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169690980 IF Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(O)c2)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169691321 IF Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(O)c2)[C@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169691322 IF Annotated Anodyne O=c1c([N+](=O)[O-])ccc[c-]1C/N=N/c1nc(NCc2ccccc2)nc(N2CCOCC2)n1 ZINC000169691636 IF Annotated Clean COC(=O)/C(C(C)=O)=C1\C=C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O ZINC000169691774 IF Annotated Mild COc1ccc(C/N=N/c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000169692313 IF Annotated Clean CN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)[C@@H](c1[nH]c3ccccc3c1N=O)C(=O)N2 ZINC000169692421 IF Annotated Anodyne CN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)[C@H](c1[nH]c3ccccc3c1N=O)C(=O)N2 ZINC000169692422 IF Annotated Anodyne CCOC(=O)C1=C(C)N=C(SCC(=O)OC)[C@@H](C#N)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000169693218 IF Annotated Mild CCOC(=O)C1=C(C)N=C(SCC(=O)OC)[C@H](C#N)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000169693219 IF Annotated Mild CCOC(=O)C1=C(C)N=C(SCC(=O)OC)[C@@H](C#N)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000169693220 IF Annotated Mild CCOC(=O)C1=C(C)N=C(SCC(=O)OC)[C@H](C#N)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000169693221 IF Annotated Mild COc1ccc([CH-]/N=N/c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000169693259 IF Annotated Clean CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695303 IF Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695304 IF Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695305 IF Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695306 IF Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000169697505 IF Annotated Mild O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(F)(F)F)s2)s1)C(F)(F)F ZINC000169697723 IF Annotated Anodyne Cc1cnc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@H](N)CC3)c(N)s2)c1 ZINC000169699473 IF Annotated Anodyne COCCOc1ccc2c(c1)[C@@]1(N=C(N)N(C3CCC3)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700467 IF Annotated Anodyne COCCOc1ccc2c(c1)[C@]1(N=C(N)N(C3CCC3)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700468 IF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(C[C@@H]2CCO2)C1=O ZINC000169700469 IF Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(C[C@H]2CCO2)C1=O ZINC000169700470 IF Annotated Mild COC1CCC2(CC1)Cc1ccc(CN3CCC(F)(F)C3)cc1[C@@]21N=C(N)N(C)C1=O ZINC000169700471 IF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(CN3CCC(F)(F)C3)cc1[C@]21N=C(N)N(C)C1=O ZINC000169700472 IF Annotated Anodyne CN1CCN(c2nccn3c(-c4cccc(N[C@@H](CN)c5ccccc5)n4)cnc23)CC1 ZINC000169701238 IF Annotated Anodyne CN1CCN(c2nccn3c(-c4cccc(N[C@H](CN)c5ccccc5)n4)cnc23)CC1 ZINC000169701239 IF Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CCN)c5ccsc5)n4)cnc23)CC1 ZINC000169701252 IF Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@H](CCN)c5ccsc5)n4)cnc23)CC1 ZINC000169701253 IF Annotated Anodyne c1ccc(CNc2nccc(-c3cnc4c(NCCN5CCOCC5)nccn34)n2)cc1 ZINC000169701254 IF Annotated Anodyne COc1cccc(CO)c1C(=O)N1CC[C@@H]2CN(c3nccc(-c4ccccc4)n3)[C@@H]2C1 ZINC000169701339 IF Annotated Anodyne COc1cccc(CO)c1C(=O)N1CC[C@H]2CN(c3nccc(-c4ccccc4)n3)[C@@H]2C1 ZINC000169701341 IF Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(CCOC4)C3)cc2)C1 ZINC000169701424 IF Annotated Anodyne O=c1cc(-c2ccnc(NC3CCOCC3)n2)cnn1[C@H](CO)c1ccc(Cl)c(F)c1 ZINC000169701507 IF Annotated Anodyne O=C1CCCN1CC1(O)CCC2(CCN(c3ccc([C@@H](O)C(F)(F)F)cc3)C2=O)CC1 ZINC000169701640 IF Annotated Anodyne CN(C)C(=O)Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(F)cc2)CC3)n1 ZINC000169702349 IF Annotated Anodyne COc1cc([C@H](CO)Nc2nc(Nc3cc(C(C)(C)C)n(C)n3)c3c[nH]nc3n2)ccn1 ZINC000169702575 IF Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(N)c2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703513 IF Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)cc2N)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703514 IF Annotated Anodyne Cc1cc(C(N)=O)ncc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703521 IF Annotated Anodyne C[C@@H]1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc1C2 ZINC000169703621 IF Annotated Anodyne C[C@H]1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc1C2 ZINC000169703622 IF Annotated Anodyne C[C@@H]1C(=O)NC(=O)[C@]12Cc1cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc1C2 ZINC000169703623 IF Annotated Anodyne C[C@H]1C(=O)NC(=O)[C@]12Cc1cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc1C2 ZINC000169703624 IF Annotated Anodyne CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 ZINC000169704071 IF Annotated Anodyne O=C(NC1(C(=O)O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000169704181 IF Annotated Anodyne O=C(NC1(C(=O)O)CC1)c1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12 ZINC000169704182 IF Annotated Anodyne O=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000169704238 IF Annotated Anodyne C[C@@H](NC(=O)c1cnn2ccc(N3C[C@@H](O)C[C@@H]3c3cccc(F)c3)nc12)C(F)(F)F ZINC000169704280 IF Annotated Anodyne C[C@H](NC(=O)c1cnn2ccc(N3C[C@@H](O)C[C@@H]3c3cccc(F)c3)nc12)C(F)(F)F ZINC000169704281 IF Annotated Anodyne CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](NC(C)=O)C5)c34)cnn2C)cc1 ZINC000169706082 IF Annotated Anodyne CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC(NC(=O)OC)C5)c34)cnn2C)cc1 ZINC000169706083 IF Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(C3CCOCC3)n2)CN1 ZINC000169707127 IF Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCCO)c2)c1 ZINC000169707326 IF Annotated Anodyne O=C1Nc2ncc(/C=C/C(=O)N3CCC(COc4ccc(F)cc4)CC3)cc2C[C@H]1CO ZINC000169707530 IF Annotated Anodyne O=C1Nc2ncc(/C=C/C(=O)N3CCC(COc4ccc(F)cc4)CC3)cc2C[C@@H]1CO ZINC000169707531 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4CC4)nn3)c2)c2cncnc21 ZINC000169707657 IF Annotated Anodyne CC(C)c1cn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1 ZINC000169707673 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4cccnc4n3)c2)c2cncnc21 ZINC000169707701 IF Annotated Anodyne C[C@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cncnc21 ZINC000169707763 IF Annotated Mild N#Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C4COC4)c4ncncc34)c2)cc1 ZINC000169707775 IF Annotated Mild N#Cc1cccc(CC(=O)Nc2cncc(C(=O)c3cn(C4COC4)c4ncncc34)c2)c1 ZINC000169707778 IF Annotated Mild CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnc(N)nc21 ZINC000169707803 IF Annotated Anodyne CC(C)c1cn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4nc(N)ncc34)c2)nn1 ZINC000169707808 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnc(N)nc21 ZINC000169707813 IF Annotated Anodyne Cc1nc(Cl)nn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707910 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccn4ncnc4c3)c2)c2cncnc21 ZINC000169707953 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ncccn4n3)c2)c2cncnc21 ZINC000169707954 IF Annotated Anodyne COc1cc(OC)nc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 ZINC000169707983 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnn4cccnc34)c2)c2cncnc21 ZINC000169707995 IF Annotated Anodyne COCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1C ZINC000169708001 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4nccn4c3)c2)c2cncnc21 ZINC000169708012 IF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nnc4n3CCCC4)c2)c2cncnc21 ZINC000169708019 IF Annotated Anodyne CC(C)(O)Cn1cc2c(n1)CN([C@H]1CS[C@@H](c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 ZINC000169708404 IF Annotated Anodyne CC(C)(O)Cn1cc2c(n1)CN([C@H]1CS[C@H](c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 ZINC000169708405 IF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nnc(NCCO)o4)cc3)c2n1 ZINC000169708437 IF Annotated Anodyne CN1C(=O)Cc2ccc(-c3csc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c3F)cc21 ZINC000169708968 IF Annotated Mild CN1C(=O)Cc2ccc(-c3csc(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c3F)cc21 ZINC000169708969 IF Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(CC3CCOCC3)c2)s1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000169708975 IF Annotated Mild CN1C(=O)Cc2ccc(-c3cc(F)c(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 ZINC000169708980 IF Annotated Mild CN1C(=O)Cc2ccc(-c3cc(F)c(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 ZINC000169708981 IF Annotated Mild CC(=O)c1cn(C)c2ccc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C)n4)n3)cc12 ZINC000169709012 IF Annotated Anodyne O=C1N=Nc2nc(CN3CCCN(S(=O)(=O)c4ccccc4)CC3)nc3cccc1c23 ZINC000169710164 IF Annotated Anodyne O=C1N=Nc2nc(CN3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nc3cccc1c23 ZINC000169710173 IF Annotated Anodyne Cc1nc(C(=O)NCC(=O)O)c(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12 ZINC000169710900 IF Annotated Anodyne O=C(O)CNC(=O)c1nc(-c2ccccc2)c2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710934 IF Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(c1O)C[C@@H](c1ccccc1)C(=O)N2Cc1ccccc1 ZINC000169711004 IF Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(c1O)C[C@H](c1ccccc1)C(=O)N2Cc1ccccc1 ZINC000169711005 IF Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2-c2ccccc2)c1O ZINC000169711020 IF Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(Cc3ccccc3)c(=O)n2-c2ccccc2)c1O ZINC000169711021 IF Annotated Anodyne Cn1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCC(=O)O)nc(-c3cccnc3)c21 ZINC000169711048 IF Annotated Anodyne Cc1cc(CN2CC[C@@](C)(O)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O ZINC000169711446 IF Annotated Anodyne Cc1cc(CN2CC[C@](C)(O)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O ZINC000169711447 IF Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)nc(OC(F)F)c4C3)ncnn12 ZINC000169711772 IF Annotated Anodyne Cc1nc(-c2ccccc2F)c2c(N3CCc4nc(C5CC5)n(C)c(=O)c4C3)ncnn12 ZINC000169711773 IF Annotated Anodyne COc1ccc2c(c1OCCF)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711806 IF Annotated Anodyne CCOC(=O)/C(=C1/C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O ZINC000169714723 IF Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3scc(C)c3C)cc2)C(=O)[C@@H](C)C1=O ZINC000169715186 IF Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3scc(C)c3C)cc2)C(=O)[C@H](C)C1=O ZINC000169715187 IF Annotated Mild C=c1[nH]n(-c2ccccc2)c(=O)/c1=C(/c1ccccc1)N1CCN(c2ccccc2C)CC1 ZINC000169715664 IF Annotated Anodyne O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CC=C(n2c(=O)nc3cccc[c-]32)CC1 ZINC000169717090 IF Annotated Bother O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(n2c(=O)nc3cccc[c-]32)CC1 ZINC000169717091 IF Annotated Bother CN(C(=O)OC(C)(C)C)[C@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O ZINC000169718173 IF Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H]1C(=O)O[C@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O ZINC000169718174 IF Annotated Anodyne O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCCCNc2n[s+]c3[nH]ccn23)c1 ZINC000169718770 IF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCCCNc2n[s+]c3[nH]ccn23)cc1 ZINC000169718775 IF Annotated Bother O=Cn1ccnc1N(CCCn1c(O)c2n(c1=O)Cc1ccccc1C2)Cc1ccccc1 ZINC000169718925 IF Annotated Anodyne CC(C)(C)[C@H]1C(=O)[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)N1Cc1ccc(F)cc1 ZINC000169719339 IF Annotated Anodyne CC(C)(C)[C@H]1C(=O)[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)N1Cc1ccc(F)cc1 ZINC000169719340 IF Annotated Anodyne C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1C(=O)[C@@H]1C(=O)N[C@H](C[C@](C)(O)C(=O)O)C1=O ZINC000169721107 IF Annotated Anodyne C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1C(=O)[C@H]1C(=O)N[C@H](C[C@](C)(O)C(=O)O)C1=O ZINC000169721108 IF Annotated Anodyne C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1C(=O)[C@@H]1C(=O)N[C@H](C[C@@](C)(O)C(=O)O)C1=O ZINC000169721109 IF Annotated Anodyne C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1C(=O)[C@H]1C(=O)N[C@H](C[C@@](C)(O)C(=O)O)C1=O ZINC000169721110 IF Annotated Anodyne COc1cc(C/N=N/c2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc(OC)c1O ZINC000169722473 IF Annotated Clean C[C@@]12C[C@@H](O)[C@@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727129 IF Annotated Mild C[C@@]12O[C@](C)(C[C@H]1O)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727130 IF Annotated Mild C[C@@]12C[C@@H](O)[C@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727131 IF Annotated Mild C[C@]12C[C@@H](O)[C@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727132 IF Annotated Mild C[C@@]12C[C@H](O)[C@@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727133 IF Annotated Mild C[C@@]12O[C@](C)(C[C@@H]1O)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727134 IF Annotated Mild C[C@@]12C[C@H](O)[C@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727135 IF Annotated Mild C[C@]12C[C@H](O)[C@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727136 IF Annotated Mild CCN1C[C@@H](OC(=O)c2ccccc2-n2c(O)cc(C)c2O)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 ZINC000169729225 IF Annotated Anodyne CCN1C[C@H](OC(=O)c2ccccc2-n2c(O)cc(C)c2O)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 ZINC000169729226 IF Annotated Anodyne C[C@@H]1C[C@@H](C)C(=O)[C@@H]([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1 ZINC000017147953 IF Annotated Anodyne C[C@H]1C[C@H](C)C(=O)[C@@H]([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1 ZINC000017147957 IF Annotated Anodyne C[N+](C)(C)CC(=O)N/N=C(\CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1 ZINC000017188845 IF Annotated Reactive N#Cc1ccccc1NC(=O)/C(=N\N)[C@H](C(=O)c1ccncc1)[C@@H]1OC(=O)c2ccccc21 ZINC000017211259 IF Annotated Mild N#Cc1ccccc1NC(=O)/C(=N\N)[C@@H](C(=O)c1ccncc1)[C@@H]1OC(=O)c2ccccc21 ZINC000017211262 IF Annotated Mild COC(=O)N1[C@@H]2[C@@H](C[C@@]1(C)C(=O)OC)c1ccccc1N2S(=O)(=O)c1ccccc1 ZINC000017249336 IF Annotated Anodyne COC(=O)N1[C@H]2[C@H](C[C@@]1(C)C(=O)OC)c1ccccc1N2S(=O)(=O)c1ccccc1 ZINC000017249340 IF Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)O ZINC000017254047 IF Annotated Anodyne O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ncccn2)CC1 ZINC000017299589 IF Annotated Anodyne N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(CCc2ccc(Cl)cc2Cl)CC1 ZINC000170188843 IF Annotated Reactive N[C@](CCCCB(O)O)(C(=O)O)C1CCN(CCc2ccc(Cl)cc2Cl)CC1 ZINC000170188846 IF Annotated Reactive CC(C)(C)c1nnc2sc(SCC(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)nn2c1=O ZINC000017819926 IF Annotated Mild CC(C)(C)c1nnc2sc(SCC(=O)[C@H](C#N)c3nc4ccccc4[nH]3)nn2c1=O ZINC000017819930 IF Annotated Mild CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N\CCCN(CC)c2cccc(C)c2)CC1 ZINC000017836796 IF Annotated Anodyne O=C1C(C2=N[C@@H](C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000018085071 IF Annotated Mild O=C1C(C2=N[C@@H](C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000018085077 IF Annotated Mild O=C(C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1)N1CCN(c2ccccn2)CC1 ZINC000018209767 IF Annotated Anodyne O=C(C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1)N1CCN(c2ccccn2)CC1 ZINC000018209771 IF Annotated Anodyne O=C(C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1)N1CCN(c2ccccn2)CC1 ZINC000018209775 IF Annotated Anodyne O=C(C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1)N1CCN(c2ccccn2)CC1 ZINC000018209779 IF Annotated Anodyne NC(=S)N/N=C(\Cc1nc2ccc(Cl)cc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000018211487 IF Annotated Mild COc1ccc(CCN2C(=O)C[C@H](C(N)=O)SC2=Nc2ccc(F)cc2)cc1OC ZINC000018246173 IF Annotated Anodyne Cn1cccc1C(=O)NC(=O)COC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000018255776 IF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000018323407 IF Annotated Anodyne CCOP(=O)(CN1CCNCCN(CP(=O)(OCC)OCC)CC1)OCC ZINC000019362258 IF Annotated Anodyne Cc1cccc2c1Oc1cc(Cl)ccc1[C@H]2NC(=O)CCN1CCN(CCO)CC1 ZINC000019365423 IF Annotated Anodyne Cc1cccc2c1Oc1cc(Cl)ccc1[C@@H]2NC(=O)CCN1CCN(CCO)CC1 ZINC000019372647 IF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019529752 IF Annotated Anodyne CC(=O)N(C1=C(NCCO)C(=O)c2ccccc2C1=O)c1cccc(Br)c1 ZINC000019720613 IF Annotated Mild OCCN1CCN(Cc2ccc3c(c2)CN(Cc2cccc4ncccc24)CCO3)CC1 ZINC000019740749 IF Annotated Anodyne CCS(=O)(=O)c1ncc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1CCOC ZINC000019743931 IF Annotated Anodyne CCS(=O)(=O)c1ncc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1CCOC ZINC000019743933 IF Annotated Anodyne COC(=O)c1c(OCc2ccccc2)cc(=O)n2c1CCN(Cc1cccc(C)n1)CC2 ZINC000019835995 IF Annotated Anodyne CCn1c(=N)n(CCOCCOCCn2c(=N)n(CC)c3ccccc32)c2ccccc21 ZINC000019901283 IF Annotated Anodyne C=CCNC(=O)N[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@@H]2CC(=O)[C@@H]1c1cc(O)ccc12 ZINC000195134090 IF Annotated Mild C=CCNC(=O)N[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195134100 IF Annotated Mild C=CCNC(=O)N[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@@H]2CC(=O)[C@@H]1c1cc(O)ccc12 ZINC000195134111 IF Annotated Mild C=CCNC(=O)N[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195134122 IF Annotated Mild CC(=O)NC(CCc1ccc(C#CC#C[Si](C)(C)C)cc1)(COC(C)=O)COC(C)=O ZINC000195151855 IF Annotated Mild CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@@H](C[C@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195172913 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](C[C@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195172923 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@H](C[C@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195172940 IF Annotated Anodyne CSC(=S)[C@@H](C#N)C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000195213789 IF Annotated Mild CSC(=S)[C@H](C#N)C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000195213805 IF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)OC[C@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@@H]13 ZINC000195223586 IF Annotated Anodyne C[C@]12C[C@@]34COC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](C[C@@H]1C4)O2 ZINC000195223600 IF Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)OC[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@H]31 ZINC000195223613 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@H]3S[C@]21[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000195358015 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195371969 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195371975 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195371981 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195371988 IF Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000195378871 IF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N/OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@H]3[C@H]2C(=O)N1C1CCCCC1 ZINC000195381228 IF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@H]3[C@H]2C(=O)N1C1CCCCC1 ZINC000195381238 IF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N/OCc4ccccc4)C[C@H](O)[C@@H](O)[C@H]3[C@H]2C(=O)N1C1CCCCC1 ZINC000195381246 IF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@H](O)[C@@H](O)[C@H]3[C@H]2C(=O)N1C1CCCCC1 ZINC000195381254 IF Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1nc[nH]n1)C2 ZINC000195424093 IF Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1nc[nH]n1)C2 ZINC000195424097 IF Annotated Anodyne O=C1CC=C2[C@@H]3C[C@@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C\CBr ZINC000195424188 IF Annotated Reactive O=C1CC=C2[C@@H]3C[C@@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C/CBr ZINC000195424193 IF Annotated Reactive O=C1CC=C2[C@@H]3N1c1cc(O)c(O)cc1[C@@]31CCN3C/C(=C\CBr)[C@H]2C[C@H]31 ZINC000195424198 IF Annotated Reactive O=C1CC=C2[C@@H]3N1c1cc(O)c(O)cc1[C@@]31CCN3C/C(=C/CBr)[C@H]2C[C@H]31 ZINC000195424204 IF Annotated Reactive O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1C1CCCCC1)[C@H]1[C@H]2C(=O)N(C4CCCCC4)C(=O)[C@@H]2[C@H]31 ZINC000195446343 IF Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1C1CCCCC1)[C@H]1[C@H]2C(=O)N(C4CCCCC4)C(=O)[C@@H]2[C@H]31 ZINC000195446350 IF Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]12 ZINC000195446359 IF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1c(F)cc(F)cc1Br ZINC000195471051 IF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1c(F)cc(F)cc1Br ZINC000195471055 IF Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N/O[C@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000195472292 IF Annotated Mild CC(C)CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@@H]12 ZINC000195489132 IF Annotated Mild CC(C)CO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@@H]12 ZINC000195489136 IF Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000195517502 IF Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000195517503 IF Annotated Mild C=C(C)[C@H]1CC[C@]2(O)C(=O)O[C@H](C/C(C)=C\c3cc(C(=O)OC)c(o3)C1)[C@H]2OC(C)=O ZINC000195871292 IF Annotated Mild C=CCc1cc(OC)c(O[C@H](CO)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000196655835 IF Annotated Mild COc1cc([C@@H]2c3cc4c(c(OC)c3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000196831346 IF Annotated Anodyne C[Si](C)(C)c1cc2c(c(N)c1C#N)c1nc(N)c(C#N)c3c(C#N)c([Si](C)(C)C)c2n31 ZINC000198088329 IF Annotated Mild in-vitro COc1cc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc(OC)c1OC ZINC000198346463 IF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc(OC)c1OC ZINC000198346473 IF Annotated Anodyne Cn1c(OC2CCN(c3ccc(CN4CCCC4)cc3)CC2)nc(-c2ccncn2)cc1=O ZINC000198761917 IF Annotated Clean Cn1c(O[C@@H]2CCN(c3ccc(CN4CCCCC4)cc3)C2)nc(-c2ccncn2)cc1=O ZINC000198763577 IF Annotated Clean Cn1c(O[C@H]2CCN(c3ccc(CN4CCCCC4)cc3)C2)nc(-c2ccncn2)cc1=O ZINC000198763593 IF Annotated Clean C[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2ccc([C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)c(O)c2C3=O)C1 ZINC000198894809 IF Annotated Clean CCCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200637 IF Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200653 IF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000199205345 IF Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000199205737 IF Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000199206335 IF Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000199218028 IF Annotated Anodyne COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccco2)C1=O ZINC000199218399 IF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCCN1CCOCC1 ZINC000199225022 IF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2C(=O)N1CCCN1CCOCC1 ZINC000199225033 IF Annotated Anodyne Cc1ccccc1CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)Nc1c(C)cccc1C ZINC000199234035 IF Annotated Anodyne Cc1ccccc1CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)Nc1c(C)cccc1C ZINC000199234058 IF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000199244166 IF Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1C(=O)Nc2ccccc2C(=O)N1c1ccc2c(c1)OCCO2 ZINC000199248067 IF Annotated Anodyne O=C(NCc1ccccc1)[C@H]1C(=O)Nc2ccccc2C(=O)N1c1ccc2c(c1)OCCO2 ZINC000199248080 IF Annotated Anodyne CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000199248947 IF Annotated Anodyne CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000199248962 IF Annotated Anodyne Cc1cc(N2CCN(CC(C)(C)O)C[C@H]2C)ccc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000199271511 IF Annotated Anodyne Cc1cc(N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000199271768 IF Annotated Anodyne Cc1cc(N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000199271795 IF Annotated Anodyne Cc1cc(N2CCN(CC(C)(C)O)C[C@H]2C)ccc1N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000199271956 IF Annotated Anodyne O=C(C(=O)N1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 ZINC000199720435 IF Annotated Anodyne O=C(C(=O)N1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 ZINC000199720457 IF Annotated Anodyne CN[C@H]1C[C@H]2c3[nH]c4c(-c5ccc6c(c5)OCO6)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199739089 IF Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(I)c2)C(=S)N1CCCCO ZINC000002007483 IF Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/C[C@H]2CCCO2)C(=O)[C@@]31C ZINC000002115626 IF Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/C[C@@H]2CCCO2)C(=O)[C@@]31C ZINC000002115628 IF Annotated Mild O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccccn2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000002253139 IF Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccn2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000002253140 IF Annotated Anodyne COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCCC[C@H]1CCO ZINC000002305805 IF Annotated Anodyne COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCCC[C@@H]1CCO ZINC000002305807 IF Annotated Anodyne Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccncc4)n(Cc4ccco4)c3nc12 ZINC000002392680 IF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC[C@@H]3C)c21 ZINC000002457163 IF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC[C@H]3C)c21 ZINC000002457164 IF Annotated Anodyne NS(=O)(=O)c1ccc(-n2ncc3c(O)nc(SCc4ccccc4F)nc32)cc1 ZINC000002457650 IF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCOC(C)C)c21 ZINC000002459229 IF Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccccn3)c21 ZINC000002459257 IF Annotated Anodyne CC(C)OCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002459304 IF Annotated Anodyne Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 ZINC000002459794 IF Annotated Anodyne Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000002459797 IF Annotated Anodyne Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000002459799 IF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N[C@H](C)CC)c21 ZINC000002461306 IF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N[C@@H](C)CC)c21 ZINC000002461307 IF Annotated Anodyne COC(=O)c1cc(S(=O)(=O)n2nc(C)cc2C)c(N2CCCC2)cc1N1CCCC1 ZINC000002463897 IF Annotated Anodyne O=C(NCCC1=CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464850 IF Annotated Anodyne O=c1c2sccc2n(Cc2cc(=O)n3ccccc3n2)c(=O)n1-c1cc(F)ccc1F ZINC000002466684 IF Annotated Anodyne O=c1c2sccc2n(Cc2cc(=O)n3cc(Cl)ccc3n2)c(=O)n1-c1ccccc1 ZINC000002466728 IF Annotated Anodyne O=c1c2c3c(sc2n(Cc2cc(=O)n4ccccc4n2)c(=O)n1-c1ccccc1)CCC3 ZINC000002467499 IF Annotated Anodyne O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ccc(Cl)cc21)NCc1ccco1 ZINC000002467749 IF Annotated Anodyne CC(C)(C)C(=O)Cn1c(=O)n(CCCS(=O)(=O)C2CCCCC2)c(=O)c2ccccc21 ZINC000002467891 IF Annotated Anodyne O=c1c2ccccc2n(Cc2ccncc2)c(=O)n1CCCS(=O)(=O)C1CCCCC1 ZINC000002467896 IF Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(N(C)CCc3ccccn3)c2c1C ZINC000002477341 IF Annotated Anodyne CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCc4ccccc4C3)c(C)c2c1=O ZINC000002477398 IF Annotated Anodyne COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000002480269 IF Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCO)cc1 ZINC000002480940 IF Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000002483172 IF Annotated Bother CSc1nc(NC(C)(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 ZINC000002484273 IF Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)NCCOCCO)cc1OCc1ccccc1 ZINC000002484547 IF Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCOCCO)c(OC)c1 ZINC000002484749 IF Annotated Anodyne COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)NCCOCCO)cc1 ZINC000002484865 IF Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCOCCO)c(OC)c1 ZINC000002485112 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002487230 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002487233 IF Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002487236 IF Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002487238 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487268 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487270 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487273 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487274 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487446 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487448 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002487450 IF Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002487451 IF Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000002487600 IF Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000002487603 IF Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002487604 IF Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002487606 IF Annotated Anodyne COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000002487611 IF Annotated Anodyne COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000002487613 IF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000002487748 IF Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002487766 IF Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002487769 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002487771 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002487773 IF Annotated Anodyne CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000002488000 IF Annotated Anodyne CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000002488002 IF Annotated Anodyne CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000002488003 IF Annotated Anodyne CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000002488005 IF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488147 IF Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488149 IF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488150 IF Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488151 IF Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000002488165 IF Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000002488167 IF Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000002488168 IF Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000002488171 IF Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002491984 IF Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002491985 IF Annotated Anodyne CCCCN(CC)CCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002493995 IF Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1ccco1 ZINC000002495928 IF Annotated Anodyne CCCCn1c(=NC(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000002496159 IF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCC(C)C)c21 ZINC000002496472 IF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000020106871 IF Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000020106873 IF Annotated Anodyne CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H](C)N2CCOCC2)C3)s1 ZINC000020109532 IF Annotated Anodyne CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H](C)N2CCOCC2)C3)s1 ZINC000020109533 IF Annotated Anodyne CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H](C)N2CCOCC2)C3)s1 ZINC000020109534 IF Annotated Anodyne CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H](C)N2CCOCC2)C3)s1 ZINC000020109535 IF Annotated Anodyne CCN1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000020114181 IF Annotated Anodyne CCN1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000020114183 IF Annotated Anodyne CCN1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000020114185 IF Annotated Anodyne CCN1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000020114187 IF Annotated Anodyne COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239844 IF Annotated Anodyne O=C(CCc1nnc(-c2ccsc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020255786 IF Annotated Anodyne C[C@H]1CN(C(=O)c2nc3sccn3c2CNCc2ccc3nsnc3c2)C[C@@H](C)O1 ZINC000020363353 IF Annotated Anodyne Cc1c2cnn(CC(=O)NC[C@@H]3CCCO3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020417204 IF Annotated Anodyne Cc1c2cnn(CC(=O)NC[C@H]3CCCO3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020417206 IF Annotated Anodyne O=C(NCCCN1CCOCC1)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000020436295 IF Annotated Anodyne COCCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)C1CCN(C(C)=O)CC1 ZINC000020485238 IF Annotated Anodyne Cc1ccc(CNC(=O)CSc2nc3nccnc3c(=O)n2CCCOC(C)C)cc1 ZINC000020486916 IF Annotated Anodyne Cc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)c(Cl)c1 ZINC000020487510 IF Annotated Anodyne Cc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1Cl ZINC000020487661 IF Annotated Anodyne C=CCNC(=O)N[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000200061681 IF Annotated Mild COc1cc([C@@H]2C3=C(Cc4c2cc2c(c4OC)OCO2)C(=O)OC3)cc(OC)c1OC ZINC000200214235 IF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)[C@H](OC)CC(=O)[C@](C)(OC(C)=O)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000200351876 IF Annotated Mild CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3cocn3)s2)c1 ZINC000201462851 IF Annotated Anodyne O=CN1CCN(C(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)CC1 ZINC000201469802 IF Annotated Anodyne Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000201471898 IF Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCCc1ccccc1OC ZINC000201483356 IF Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@@]2(CN(C)C)C(N)=O)sc1-c1ccnc(C(C)(C)C)n1 ZINC000202077921 IF Annotated Anodyne CC1(C)O[C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O)[C@H]2O1 ZINC000202663786 IF Annotated Reactive COCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464182 IF Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464257 IF Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2ccc(C)o2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464287 IF Annotated Anodyne COc1ccc(CN2C(=O)CCC[C@]2(C)c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000203465298 IF Annotated Anodyne COc1ccc(CN2C(=O)CCC[C@@]2(C)c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000203465303 IF Annotated Anodyne CC(C)CCN1C(=O)COc2ccccc2[C@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000203465641 IF Annotated Anodyne CC(C)CCN1C(=O)COc2ccccc2[C@@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000203465646 IF Annotated Anodyne COc1ccc(OC)c(CN2C(=O)c3ccnn3C[C@]2(C)c2nnnn2C2CCCC2)c1 ZINC000203465757 IF Annotated Anodyne COc1ccc(OC)c(CN2C(=O)c3ccnn3C[C@@]2(C)c2nnnn2C2CCCC2)c1 ZINC000203465762 IF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCc1cccs1 ZINC000203466630 IF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCc1ccccc1 ZINC000203466674 IF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCc1ccc(C)o1 ZINC000203466707 IF Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(N4CCOCC4)cc3[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000203467171 IF Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470267 IF Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(CO)nn3)ccc21 ZINC000203470360 IF Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(CO)nn3)ccc21 ZINC000203470363 IF Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(CO)nn3)ccc21 ZINC000203470382 IF Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(CO)nn3)ccc21 ZINC000203470386 IF Annotated Anodyne CCCCN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)CC1 ZINC000203474569 IF Annotated Anodyne CCCCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)CC1 ZINC000203474575 IF Annotated Anodyne O=S(=O)(c1sccc1Br)n1c(CN2CCOCC2)nc2ccccc21 ZINC000203475467 IF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5C[C@]5(N)C4)cn3)nc2n1C1CCCC1 ZINC000203616469 IF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5C[C@]5(N)C4)cn3)nc2n1C1CCCC1 ZINC000203616475 IF Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2cccc3c2CCNC3)C1 ZINC000204927736 IF Annotated Anodyne COc1ccc(OC)c(CNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c1 ZINC000020574374 IF Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(CC(=O)N4CCOCC4)c32)cc1 ZINC000020598060 IF Annotated Anodyne O=C(NCc1nnc2n1CCN(Cc1ccnc3ccccc13)CC2)c1cccc(F)c1 ZINC000020599271 IF Annotated Anodyne C=CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccccc3OCC)cc2c1=O ZINC000020765308 IF Annotated Mild in-vitro O=C(c1cccs1)N1CCOc2ccc(CN3CCN(c4ncccn4)CC3)cc2C1 ZINC000020782710 IF Annotated Anodyne O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NC[C@@H]1COCCO1 ZINC000020864731 IF Annotated Anodyne O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000020906317 IF Annotated Anodyne O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000020906319 IF Annotated Anodyne NC(=O)CCN1CCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)CC1 ZINC000020992896 IF Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1 ZINC000205210389 IF Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 ZINC000205210403 IF Annotated Anodyne COc1ccc(NC(=O)C2=CN3CCN(Cc4cccc(Cl)c4)C(=O)N=C3O2)cn1 ZINC000205212228 IF Annotated Anodyne COc1cccc(CN2CCN3C(C(=O)NCc4ccc(N(C)C)cc4)=COC3=NC2=O)c1 ZINC000205224709 IF Annotated Clean COc1cccc(CN2CCN3C(C(=O)NCc4ccc(F)c(F)c4)=COC3=NC2=O)c1 ZINC000205225691 IF Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)Nc3cccc(-n4cncn4)c3)OC2=NC1=O ZINC000205225738 IF Annotated Anodyne O=C(Nc1ccc(-n2cccn2)cc1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000205226914 IF Annotated Anodyne COc1cccc(CN2CCN3C(C(=O)N[C@@H]4CCc5ccccc54)=COC3=NC2=O)c1 ZINC000205227008 IF Annotated Anodyne COc1cccc(CN2CCN3C(C(=O)N[C@H]4CCc5ccccc54)=COC3=NC2=O)c1 ZINC000205227019 IF Annotated Anodyne N#Cc1cccc(CN2CCN3C(C(=O)N[C@H]4CCc5ccccc54)=COC3=NC2=O)c1 ZINC000205227065 IF Annotated Mild N#Cc1cccc(CN2CCN3C(C(=O)N[C@@H]4CCc5ccccc54)=COC3=NC2=O)c1 ZINC000205227079 IF Annotated Mild Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000205228980 IF Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205228998 IF Annotated Anodyne CC(=O)O[C@H]1C/C=C(/C)C[C@H]2O[C@H]([C@H]3[C@@H]2C(C)=C[C@@H](OC(C)=O)[C@@H]3[C@]2(C)CO2)[C@]1(C)O ZINC000205380639 IF Annotated Anodyne CC(=O)O[C@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)(C)O)[C@H]1O[C@@H]2C/C(C)=C\C[C@H](OC(C)=O)[C@@]1(C)O ZINC000205381255 IF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3F)cc21 ZINC000205479320 IF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(N(C)c3ccccc3)cc21 ZINC000205480116 IF Annotated Anodyne CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3ncc4ccccc43)n1CCO2 ZINC000205815461 IF Annotated Mild COc1ccc(S(=O)(=O)n2cc(/C=N/N=C/N(C)C)c3c([N+](=O)[O-])cccc32)cc1 ZINC000205819558 IF Annotated Mild COC(=O)CSC[C@@](C)(NCc1cc(OC)ccc1OC)c1nnnn1C1CCCC1 ZINC000205857636 IF Annotated Anodyne COC(=O)CSC[C@](C)(NCc1cc(OC)ccc1OC)c1nnnn1C1CCCC1 ZINC000205857655 IF Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1OC ZINC000206023673 IF Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1OC ZINC000206023694 IF Annotated Anodyne COCCNC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000206024560 IF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)CC(=O)N2C(=O)/C=C/c2ccccc2)cc1 ZINC000206025033 IF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2C(=O)/C=C/c2ccccc2)cc1 ZINC000206025053 IF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2C(=O)CCc2ccccc2)cc1 ZINC000206025103 IF Annotated Anodyne COc1cccc(CN2CCN3C=C(C(=O)N[C@@H]4CCc5ccccc54)OC3=NC2=O)c1 ZINC000206055629 IF Annotated Anodyne COc1cccc(CN2CCN3C=C(C(=O)N[C@H]4CCc5ccccc54)OC3=NC2=O)c1 ZINC000206055653 IF Annotated Anodyne O=C(NCc1ccc(F)c(F)c1)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 ZINC000206059007 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccn1)CC31CCN(C)CC1 ZINC000206063542 IF Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063797 IF Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206064090 IF Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065730 IF Annotated Anodyne Cc1ccccc1N(C)C(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 ZINC000206493723 IF Annotated Bother CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N(C)C)c2ncccc23)CC1 ZINC000206627343 IF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)C1 ZINC000207148292 IF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)C1 ZINC000207148337 IF Annotated Anodyne CCNC(=O)N1CC2(CCN(CC3CCN(C(=O)OCC)CC3)CC2)c2cccnc21 ZINC000207525149 IF Annotated Anodyne C[C@@H](CC(=O)NC(=O)c1c[nH]c(/C=C\CCCCCCCCC(=O)O)cc1=O)C(=O)O ZINC000207634333 IF Annotated Anodyne CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1cnn2ncccc12 ZINC000207743764 IF Annotated Anodyne O=C1N[C@@H](c2ccccn2)CC[C@H]1C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 ZINC000209075711 IF Annotated Anodyne O=C1N[C@@H](c2ccccn2)CC[C@@H]1C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 ZINC000209075743 IF Annotated Anodyne O=C1N[C@H](c2ccccn2)CC[C@H]1C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 ZINC000209075778 IF Annotated Anodyne O=C1N[C@H](c2ccccn2)CC[C@@H]1C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 ZINC000209075812 IF Annotated Anodyne CCCNC(=S)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000209691920 IF Annotated Anodyne N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)=NC(=O)N=3)c1 ZINC000209782588 IF Annotated Anodyne COc1ccc(CCCc2c(N)ncnc2C#Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000021288954 IF Annotated Mild CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NC(C)(C)C(=O)O ZINC000210437166 IF Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N1CC(C(=O)O)C1 ZINC000210450983 IF Annotated Anodyne O=C(C1CC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000210466905 IF Annotated Bother CCCCOc1cc(Br)cc2cc(C(=O)NN3CCOCC3)c(=O)oc12 ZINC000211010162 IF Annotated Anodyne CO[C@H]1O[C@@H]2O[C@]3(CC[C@@]2(O)[C@@H]1O)[C@H](C)C[C@@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@@]13C ZINC000211026164 IF Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@H]2CN3Cc4c([nH]c5cc(OC)c(OC)cc5c4=O)[C@@H]3C[C@H]12 ZINC000211239264 IF Annotated Anodyne O=C1C[C@@H](C(=O)N/N=C/C2=C(Sc3nc4ccccc4s3)CCCC2)NC(=O)N1 ZINC000214209202 IF Annotated Anodyne O=C1C[C@H](C(=O)N/N=C/C2=C(Sc3nc4ccccc4s3)CCCC2)NC(=O)N1 ZINC000214209317 IF Annotated Anodyne C[C@@H](CCOc1ccc(CCNC(=O)/C=C\S(C)(=O)=O)cc1)C1=CC(=O)C(C)(C)O1 ZINC000214394014 IF Annotated Mild COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215520528 IF Annotated Anodyne COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215520665 IF Annotated Anodyne Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C2CC2)no1 ZINC000215743803 IF Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(COc3ccccc3F)n1CCO2 ZINC000215754146 IF Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3cnc4ccccc43)n1CCO2 ZINC000215754416 IF Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1)c1ccccn1 ZINC000215759156 IF Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1)c1ccccn1 ZINC000215759204 IF Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2CCO3)no1 ZINC000215759469 IF Annotated Mild Cn1nccc1Cn1c(C(N)=O)nc2c1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000215772798 IF Annotated Mild CC(=O)N1CC(c2c(C(N)=O)nc3n2C2CC(C2)c2ccc(C#CC4(O)CCCC4)cc2-3)C1 ZINC000215776090 IF Annotated Mild O=C(NS(=O)(=O)N1CC[C@H](O)C1)c1cc(C2CC2)c(OCC2CCCCC2)cc1F ZINC000216241955 IF Annotated Anodyne O=C(NS(=O)(=O)CCO)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 ZINC000216248025 IF Annotated Anodyne COC1CN(S(=O)(=O)NC(=O)c2cc(C3CC3)c(OCC3CCCC3)cc2F)C1 ZINC000216252623 IF Annotated Anodyne C[C@H](O)CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216252992 IF Annotated Anodyne C[C@@H](O)CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216253024 IF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)[C@@H](CO)C3)cc12 ZINC000217692184 IF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)[C@H](CO)C3)cc12 ZINC000217692262 IF Annotated Anodyne O=C1OCc2cc(CCC3(F)CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21 ZINC000218511675 IF Annotated Anodyne Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1 ZINC000218534153 IF Annotated Anodyne NC[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000218627458 IF Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218786145 IF Annotated Anodyne CCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218786243 IF Annotated Anodyne NC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O ZINC000218999926 IF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cc(-c3nc(C)no3)c(Cl)cc21 ZINC000219023193 IF Annotated Anodyne Cn1ncc2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@H]5C[C@@H]4[C@@H]4C[C@H]54)c(F)c3)ccc21 ZINC000219289288 IF Annotated Mild CN(C)C(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1 ZINC000219292095 IF Annotated Mild N#Cc1cc(F)c2[nH]c(=O)c3cc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)cc3c2c1 ZINC000219292133 IF Annotated Mild N#C[C@H](Cc1cc2c(=O)[nH]c3c(F)c(F)ccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219292483 IF Annotated Mild Cn1ncc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@H]5C[C@@H]4[C@@H]4C[C@H]54)c(F)c3)cc21 ZINC000219295822 IF Annotated Mild N#C[C@H](Cc1ccc(-c2ccc(=O)n(CC(F)F)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219296858 IF Annotated Mild Cn1c(=O)oc2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)ccc21 ZINC000219297068 IF Annotated Mild Cn1c(=O)oc2cc(-c3ccc(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)ccc21 ZINC000219297097 IF Annotated Mild CNC(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1 ZINC000219298329 IF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1 ZINC000219309939 IF Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(C[C@@H]3CCCO3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219314452 IF Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(C[C@H]3CCCO3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219314482 IF Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(C3CCOCC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219318015 IF Annotated Mild N#C[C@@H](Cc1ccc(-c2cnn(C3CCOCC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219318040 IF Annotated Mild CCNC(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1 ZINC000219319925 IF Annotated Mild Cn1cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@H]5C[C@@H]4[C@@H]4C[C@H]54)c(F)c3)cc2n1 ZINC000219320009 IF Annotated Mild N#C[C@H](Cc1ccc2c(c1)c(=O)[nH]c1c(F)c(F)c(F)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219321810 IF Annotated Mild N#C[C@@H](Cc1ccc2c(c1)c(=O)[nH]c1c(F)c(F)c(F)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219321836 IF Annotated Mild CC1(C)Cc2c(C#N)c(S(=O)(=O)CCc3ccccc3)nc(N3CCOCC3)c2CO1 ZINC000219503594 IF Annotated Mild CC1(C)Cc2c(C#N)c([S@@](=O)CCc3ccccc3)nc(N3CCOCC3)c2CO1 ZINC000219503695 IF Annotated Mild CC1(C)Cc2c(C#N)c([S@](=O)CCc3ccccc3)nc(N3CCOCC3)c2CO1 ZINC000219503753 IF Annotated Mild Cn1nccc1Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219539563 IF Annotated Mild O=C1OCc2cc(/C=C/C3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21 ZINC000219586561 IF Annotated Anodyne O=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21 ZINC000219588027 IF Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C3=CCOCC3)ccc1-2 ZINC000219825946 IF Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C3=CCOCC3)ccc1-2 ZINC000219826019 IF Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cncnc3)ccc1-2 ZINC000219826115 IF Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cncnc3)ccc1-2 ZINC000219826170 IF Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CC3CC3)ccc1-2 ZINC000219836747 IF Annotated Mild O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CC3CC3)ccc1-2 ZINC000219836804 IF Annotated Mild CC(=O)OCCN1CCN(C[C@H]2c3c(C)c(OC(C)=O)c(C)c(C)c3OC2(C)C)CC1 ZINC000022443093 IF Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C2CC2)no1 ZINC000220008397 IF Annotated Mild N#CCCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220009094 IF Annotated Mild N#CCCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220009161 IF Annotated Mild C[C@H](NC(=O)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)nc12)C(F)(F)F ZINC000220046575 IF Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(CN3CCCC3)ccc1-2 ZINC000220155830 IF Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(CN3CCCC3)ccc1-2 ZINC000220155922 IF Annotated Anodyne CC(C)(C)NCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220210016 IF Annotated Anodyne CC(C)(C)NCc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220210088 IF Annotated Anodyne COc1cc2c(C)c(-c3ccc(C(=O)N4CCN(C)CC4)s3)c(=O)oc2c(C=O)c1O ZINC000220383595 IF Annotated Anodyne COc1cc2c(C)c(-c3ccc(C(=O)N4CCOCC4)s3)c(=O)oc2c(C=O)c1O ZINC000220400193 IF Annotated Anodyne C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)[C@@H](C(F)(F)F)C1 ZINC000220406970 IF Annotated Anodyne O=C1/N=C2/Nc3ccccc3N2CCn2cc(cn2)-c2ccc(=O)n(n2)Cc2cccc1c2 ZINC000220454823 IF Annotated Anodyne Cc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN(C)CC#N)nn12 ZINC000220463635 IF Annotated Mild COC(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@H]4C[C@@H]3[C@@H]3C[C@H]43)c(F)c2)cs1 ZINC000220466500 IF Annotated Mild CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc(O)c3N)cc2)CC1 ZINC000220583051 IF Annotated Anodyne COc1cnc2c(Nc3ccc(F)c([C@]4(CF)N=C(N)O[C@H]5C[C@H]54)c3F)nccc2n1 ZINC000220653168 IF Annotated Anodyne Cc1ccc(C(=O)N2CCC[C@@H](Nc3nccc(C(F)(F)F)n3)[C@@H]2C)c(-n2ccnn2)n1 ZINC000220737098 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000220774924 IF Annotated Anodyne COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCN4C[C@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000220777804 IF Annotated Anodyne CCOC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)o1 ZINC000220791714 IF Annotated Anodyne COC(=O)c1ccoc1CN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1 ZINC000220799437 IF Annotated Anodyne N#C[C@H](Cc1ccc(-c2ccc3c(c2)NC(=O)C3)c(F)c1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000220832453 IF Annotated Mild CN1CCN(c2cc(-c3cc4c(cn3)c3[nH]ncc3c(=O)n4CC(F)(F)F)ccn2)CC1 ZINC000220885728 IF Annotated Anodyne Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1 ZINC000221037627 IF Annotated Anodyne Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)c1 ZINC000221048922 IF Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1 ZINC000221058772 IF Annotated Anodyne N#C[C@H]1C[C@@H](NC2(CO)CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221069563 IF Annotated Mild N#C[C@H]1C[C@@H](NC2(CO)CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221069625 IF Annotated Mild COc1cc2c(C)c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c(=O)oc2c(C=O)c1O ZINC000221070448 IF Annotated Anodyne N#C[C@H]1C[C@@H](NCC(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221222332 IF Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC(F)(F)F ZINC000221231276 IF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccc(F)cc3)cc21 ZINC000221250323 IF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3cccc(F)c3)cc21 ZINC000221250662 IF Annotated Anodyne COc1cc(F)ccc1OCCN[C@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000221798152 IF Annotated Anodyne COc1ccc(F)cc1OCCN[C@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000221815817 IF Annotated Anodyne N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1 ZINC000221854428 IF Annotated Mild CC1(N[C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)COC1 ZINC000221858534 IF Annotated Mild CC1(N[C@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)COC1 ZINC000221858596 IF Annotated Mild CC(C)NS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221867077 IF Annotated Mild N#C[C@@H]1C[C@@H](NC2COC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221889932 IF Annotated Mild N#C[C@H](Cc1ccc(-n2cc(-c3ccc(Cl)cn3)nn2)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000221915194 IF Annotated Mild COc1cc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)cc(OC)c1OC ZINC000222040943 IF Annotated Mild COc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)c(OC)c1OC ZINC000222041024 IF Annotated Mild O=c1c(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)coc2ccc(F)cc12 ZINC000222044039 IF Annotated Mild Cc1ccc2occ(/C=N/Nc3nc4c(c(N5CCOCC5)n3)CSCC4)c(=O)c2c1 ZINC000222047454 IF Annotated Mild O=c1cc(-c2ccnc(NC3CCOCC3)n2)cnn1[C@@H](CO)c1ccc(Cl)c(F)c1 ZINC000222462786 IF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)C3CCOCC3)CC2)n1 ZINC000222596880 IF Annotated Anodyne CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)CC1(F)F ZINC000222744258 IF Annotated Anodyne C[C@@H]1C[C@H](O)C2=C(COC(=O)/C=C/c3ccccc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2 ZINC000222895450 IF Annotated Anodyne C[C@@H]1C[C@H](O)C2=C(COC(=O)/C=C/c3ccc(F)cc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2 ZINC000222922974 IF Annotated Anodyne C[C@@H]1C[C@H](O)C2=C(COC(=O)CCc3ccccc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2 ZINC000222923470 IF Annotated Anodyne CC(C)(CO)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222978487 IF Annotated Mild CC(C)(CO)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222978549 IF Annotated Mild CC(C)(O)CN[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222979299 IF Annotated Mild CC(C)(O)CN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222979354 IF Annotated Mild CN(CC(F)(F)F)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)[C@@H](C#N)C1 ZINC000222980402 IF Annotated Mild CN(CC(F)(F)F)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)[C@@H](C#N)C1 ZINC000222980478 IF Annotated Mild CCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)cn1 ZINC000223399340 IF Annotated Anodyne O=C(Nc1cc(-c2nc(N[C@H]3CNC[C@@H]3O)c3sccc3n2)ccn1)c1cccs1 ZINC000223663675 IF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3NS(=O)(=O)N3CCOCC3)cc2F)cn1 ZINC000224687758 IF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@H](CO)C3)cc2F)cn1 ZINC000224702522 IF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@@H](CO)C3)cc2F)cn1 ZINC000224702635 IF Annotated Anodyne CN([C@@H]1CCCNC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224712697 IF Annotated Anodyne CC(C)N(CCO)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224727730 IF Annotated Anodyne CC(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224733626 IF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC4(COC4)C3)cc2F)cn1 ZINC000224736997 IF Annotated Anodyne CC(C)(CO)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224743146 IF Annotated Anodyne C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224754756 IF Annotated Anodyne CS(=O)(=O)CCCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224765473 IF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@@H]3CO)cc2F)cn1 ZINC000224768516 IF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@H]3CO)cc2F)cn1 ZINC000224768639 IF Annotated Anodyne CN([C@H]1CCCNC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224770457 IF Annotated Anodyne C[C@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224777079 IF Annotated Anodyne CN([C@H]1CCCNC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224791588 IF Annotated Anodyne C[C@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224825626 IF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)N3CCOCC3)cc2F)cn1 ZINC000224826303 IF Annotated Anodyne CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C(=O)Nc2ccccc2)c1C ZINC000022792150 IF Annotated Anodyne O=C1C=CC(=CNNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C=C1 ZINC000022919793 IF Annotated Reactive CC1(C)CC(=O)C(/C=N/CCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)=C(O)C1 ZINC000022934243 IF Annotated Mild CC(=O)OCCN1CCN(C[C@@H]2c3c(C)c(OC(C)=O)c(C)c(C)c3OC2(C)C)CC1 ZINC000022934291 IF Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2cnc4ccccc4n2)C3)c(-n2nccn2)n1 ZINC000226045792 IF Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2cnc4ccccc4n2)C3)c(-n2ccnn2)n1 ZINC000226058371 IF Annotated Anodyne COc1cc(C#N)cnc1C(=O)Nc1cc(C)c(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 ZINC000226060892 IF Annotated Mild COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H](CO)N(CC(=O)N(C)C)CC3)cc12 ZINC000226066578 IF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@@H](CO)N(CC(=O)N(C)C)CC3)cc12 ZINC000226069156 IF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(=O)CNCCO)CC3)cc12 ZINC000226069618 IF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)[C@H]4C[C@@H](O)CN4)CC3)cc12 ZINC000226069962 IF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N4CC(O)C4)CC3)cc12 ZINC000226070799 IF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N4CC(O)C4)CC3)cc12 ZINC000226074367 IF Annotated Anodyne COc1cnc(C(=O)Nc2cc(Cl)c(F)c([C@@]3(CF)N=C(N)O[C@@H]4C[C@@H]43)c2)c(C)n1 ZINC000226080793 IF Annotated Anodyne O[C@@H]1CN[C@@H](CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)C1 ZINC000226085268 IF Annotated Anodyne COc1cnc(C(=O)Nc2cc(C)c(F)c([C@@]3(C(F)F)N=C(N)O[C@@H]4C[C@@H]43)c2)c(C)n1 ZINC000226098114 IF Annotated Anodyne O=C(NCc1c(F)cc(F)cc1F)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227113127 IF Annotated Anodyne C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)CCc2cnn(C)c2)C[C@@H](C)O1 ZINC000023129688 IF Annotated Anodyne COc1ccc(/C=C/CN2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)cc1 ZINC000023362413 IF Annotated Anodyne C=C([C@@H]1[C@@H](OC(C)=O)C(=O)[C@@]2(C)O[C@@H]2[C@@H]1OC(C)=O)[C@@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000230079050 IF Annotated Mild in-man C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@@H](OC(C)=O)C(=O)[C@@]2(C)O[C@@H]2[C@@H]1OC(C)=O ZINC000230079056 IF Annotated Mild in-man C=C([C@@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@@H](OC(C)=O)C(=O)[C@@]2(C)O[C@@H]2[C@@H]1OC(C)=O ZINC000230079064 IF Annotated Mild in-man C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@@H](OC(C)=O)C(=O)[C@@]2(C)O[C@@H]2[C@@H]1OC(C)=O ZINC000230079068 IF Annotated Mild in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000230094529 IF Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4[C@@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000230094533 IF Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000230094538 IF Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4[C@@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000230094541 IF Annotated Reactive in-man COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000230473696 IF Annotated Mild Cc1nn(-c2ccccc2)nc1CNC(=O)CN(Cc1ccccn1)Cc1ccccn1 ZINC000230558983 IF Annotated Anodyne CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000023819540 IF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52COC(C)=O)[C@@]63O)CC[C@@H]41 ZINC000238730795 IF Annotated Anodyne C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](COC(=O)/C(C)=C\C)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238731022 IF Annotated Mild C[C@@H]1O[C@H]1/C=C\C(=O)OC1=C(c2ccc(O)cc2)C(=O)C(O)=C(c2ccc(O)cc2)C1=O ZINC000238731327 IF Annotated Mild C=C1[C@]2(C)CC3=C(C)[C@@]4(C=CC(=O)OC4(C)C)CC[C@@]3(C)[C@]13C(=O)O[C@@H](C)[C@]3(O)C(=O)O2 ZINC000238731681 IF Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H](OC)C[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO ZINC000238732210 IF Annotated Mild C=CC[C@]12C=C(OC)[C@@H](OC(C)=O)[C@](OC)([C@H]1O)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C ZINC000238733834 IF Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(=O)C(C)C)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 ZINC000238733995 IF Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(OC(C)=O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238734518 IF Annotated Mild C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000238735512 IF Annotated Mild COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@H](CO)[C@H]2CO)cc(OC)c1OC ZINC000238736268 IF Annotated Anodyne C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](OC(C)=O)[C@@H]1C(C)(C)C=CC(=O)[C@@]21COC(C)=O ZINC000238736385 IF Annotated Reactive COc1cc2c(cc1OC)[C@@]13CCN(C)/C=C4\[C@@H](C)OC[C@@H]([C@@H]1N2C(C)=O)[C@H]4CC3=O ZINC000238736415 IF Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN(C)/C=C4/[C@@H](C)OC[C@@H]([C@@H]1N2C(C)=O)[C@H]4CC3=O ZINC000238736427 IF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@@H](CC[C@@]52COC(C)=O)[C@]63O)CC[C@@H]41 ZINC000238736642 IF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)C3=C(O)C(=O)[C@@H]12 ZINC000238736822 IF Annotated Mild CO[C@H]1O[C@H]2O[C@@]3(CC[C@]2(O)[C@H]1O)[C@@H](C)C[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@]13C ZINC000238737387 IF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(=C\C)COC(C)=O)C=C(C)[C@@H]1C[C@H](OC(C)=O)C(=C)[C@@H]12 ZINC000238737477 IF Annotated Mild C=C1C[C@H](OC(=O)c2ccc(OC)c(OC)c2)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000238737770 IF Annotated Mild CC(=O)OCC[C@@]1(CO)CC[C@]2(O1)[C@@H](C)CC[C@@H]1[C@]2(C)CC[C@H](O)[C@@]1(C)COC(C)=O ZINC000238737906 IF Annotated Anodyne CC(C)=CC(=O)C/C(C)=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1O ZINC000238737984 IF Annotated Mild CC(=O)O[C@@]1(C)C[C@H](OC(=O)C(C)C)[C@@H]2[C@@H](OC(=O)[C@@]2(C)OC(C)=O)[C@@H]2C(C)=CC[C@@H]21 ZINC000238738820 IF Annotated Anodyne CCC(=O)N1c2c(cc(OC)c(OC)c2O)[C@]23CCN4CCC[C@@]5(CC[C@@H]12)CC(=O)O[C@@]453 ZINC000238739550 IF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H]1O[C@@]1(COC(C)=O)CC/C=C(\C)[C@H](O)C/C=C(\C)[C@@H]2OC(C)=O ZINC000238739756 IF Annotated Mild COC(=O)[C@@H]1C[C@]23C(=O)[C@@H]4C[C@@H]5[C@@]2(COC(C)=O)[C@H](CCC2=C3[C@@H]1CC2)C[N+]5([O-])C[C@H]4C ZINC000238740048 IF Annotated Bother COC(=O)C1=C2Nc3cc(OC)ccc3[C@]23CCN2CCC[C@]([C@@H](C)OC(C)=O)(C1)[C@@H]23 ZINC000238740154 IF Annotated Anodyne CC[C@H]1CCCNC(=O)[C@@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)CC[C@H](C)CCC1 ZINC000238742554 IF Annotated Anodyne CC[C@@H]1CCC[C@H](C)CC[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@@H]2O)[C@H](CC)CCCNC1=O ZINC000238743667 IF Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CCOC3)[C@@H]1CCC[C@]2(O)CO ZINC000238743689 IF Annotated Anodyne C=C1CC[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC ZINC000238743704 IF Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@@]3(C)[C@H](C)O[C@@](C)([C@H]2O)[C@@H]3OC(C)=O)c1C ZINC000238744020 IF Annotated Anodyne C/C(=C/COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@H](O)C[C@H](O)C(C)(C)O ZINC000238744123 IF Annotated Anodyne C=C(C)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000238744989 IF Annotated Mild C=C(C)C(=O)OCC1=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2C1 ZINC000238746413 IF Annotated Mild C=C(C)[C@@H]1C[C@]23CCCN2C(=O)[C@@]1(CC(=O)c1cc(N)c2c(c1)OC(C)(C)C=C2)NC3=O ZINC000238746848 IF Annotated Mild CC(C)C1=C2C3=CC=C(C(=O)O)C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238747085 IF Annotated Anodyne COC1=CC(=O)c2cc(C3=C(O)/C(=C(\C(=O)O)c4ccc(O)cc4)OC3=O)ccc2C1=O ZINC000238747449 IF Annotated Mild CC(=O)O[C@@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1OC(C)=O ZINC000238748243 IF Annotated Anodyne COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccc(O)c(OC)c6N(C(=O)OC)[C@]15CC2)[C@@H]43 ZINC000238749176 IF Annotated Anodyne CCC[C@H](C(=O)c1cc(C(=O)C(C)C)c(O)cc1O)[C@H]1C[C@@H](O)[C@]2(O[C@H]2CC)[C@H](O)O1 ZINC000238749275 IF Annotated Anodyne COc1ccc2c(c1OC)C(=O)N(O)/C2=C\c1c(CCN(C)C)cc2c(c1OC)OCO2 ZINC000238749406 IF Annotated Anodyne CO[C@@H]1C(=O)c2ccc(OC(C)=O)cc2O[C@@H]1c1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC000238749596 IF Annotated Anodyne COc1cc(C[C@@]2(OC(C)=O)CO[C@H](c3ccc(OC)c(OC)c3)[C@H]2CO)ccc1O ZINC000238749996 IF Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC[C@]13C[C@]4(C)C(=O)[C@](C)(C[C@H]12)[C@]31COC(=O)[C@H]1[C@H]4O ZINC000238750206 IF Annotated Anodyne C/C(C=O)=C\CC/C(C)=C/COc1ccc([C@@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1 ZINC000238750399 IF Annotated Reactive C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(=O)C(C)C)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 ZINC000238752365 IF Annotated Mild C=C(O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O)[C@@H]1OC)[C@@H](/C=C/C=C/C=C/C(=O)CC)OC(=O)CC ZINC000238752398 IF Annotated Mild CS/C=C\C(=O)O[C@H]1C[C@](C)(O)C(=O)CC[C@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000238752895 IF Annotated Anodyne CC(C)=C[C@H](O)C/C(C)=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1O ZINC000238753554 IF Annotated Anodyne CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H](O)C1=O ZINC000238754469 IF Annotated Anodyne CC(=O)OCC[C@@]1(CO)CC[C@]2(O1)[C@@H](C)CC[C@H]1[C@@](C)(CO)[C@@H](OC(C)=O)CC[C@@]12C ZINC000238755511 IF Annotated Anodyne C=C(C)C(=O)O[C@H]1C2=C(C)[C@H](OC(=O)C=C(C)C)C[C@@H](O)[C@]2(C)C[C@H]2OC(=O)C(=C)[C@H]21 ZINC000238755844 IF Annotated Mild CO[C@@H]1O[C@H]2O[C@]3(CC[C@@]2(O)[C@@H]1O)[C@H](C)C[C@@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@@]13C ZINC000238755899 IF Annotated Anodyne COc1cc(C[C@H]2O[C@H](CC(=O)c3ccc(OC(C)=O)c(OC)c3)C[C@H]2O)ccc1O ZINC000238755901 IF Annotated Anodyne CCSC(C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)SCC ZINC000238756622 IF Annotated Anodyne C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@H](OC(C)=O)C[C@@](C)(O)/C=C2\OC(=O)C(COCC)=C21 ZINC000238756659 IF Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)C3=C[C@@H](OC)OC3)[C@@H]12 ZINC000238756668 IF Annotated Mild CO[C@@H]1[C@@H](O)CC(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H]1O ZINC000238757161 IF Annotated Anodyne C[C@H](O)[C@@H](C)C(=O)O[C@H](C)C/C=C\C=C\[C@H]1CC[C@]2(C[C@@H]3OC[C@](C)(C(=O)O)[C@@H]3O2)O1 ZINC000238757906 IF Annotated Anodyne C=C(CCC(=O)OC)[C@H](O)Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000238758219 IF Annotated Mild CO[C@H]1C(=O)c2ccc(OC(C)=O)cc2O[C@@H]1c1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC000238758440 IF Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC ZINC000238759594 IF Annotated Mild COc1cc(/C=C\C(=O)O[C@@H]2C[C@H]3C[C@@H](OC(=O)C(C)C)C[C@@H]2N3)cc(OC)c1OC ZINC000238759688 IF Annotated Anodyne C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](COC(=O)CC(C)C)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238760352 IF Annotated Mild CC(=O)OC[C@@]1(CCO)CC[C@]2(O1)[C@@H](C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@@]1(C)CO ZINC000238761099 IF Annotated Anodyne C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000238762237 IF Annotated Mild C=C1CC[C@@H]2[C@@](C)(CO)[C@H](OC(=O)/C(C)=C\C)[C@@H](O)C[C@@]2(C)[C@@H]1CC/C(=C/CO)CO ZINC000238762886 IF Annotated Mild CC(=O)OC/C=C(\CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(C)O)COC(C)=O ZINC000238762919 IF Annotated Anodyne CC1=C[C@H]2/C=C(\C)C[C@@H](C)[C@@H](O)[C@@H](O)/C=C\C(=O)O[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C ZINC000238764660 IF Annotated Anodyne COC(=O)[C@H]1C[C@@]23CC[C@]14N(C(C)=O)c1c(OC)cccc1[C@]41CCN(CC[C@@H]2OC)[C@@H]13 ZINC000238764875 IF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)C[C@@H](OC(=O)/C(=C/C)COC(C)=O)[C@@H]12 ZINC000238765058 IF Annotated Mild CO[C@H]1CC(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]2[C@@H](C)C(C)=C[C@H]3/C=C(/C)CC[C@@H](O)C1=O ZINC000238765670 IF Annotated Anodyne CO[C@H]1CC(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]2[C@@H](C)C(C)=C[C@H]3/C=C(\C)CC[C@@H](O)C1=O ZINC000238765685 IF Annotated Anodyne C=CC/C=C\Cc1csc(C(C)(C)[C@H](O)C/C=C\[C@@](O)(CO)CCNC(=O)OC)n1 ZINC000238766127 IF Annotated Mild C/C=C/CCCCCC/C=C\C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O ZINC000238766259 IF Annotated Reactive C/C=C/CCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O ZINC000238766274 IF Annotated Reactive C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@H](OC(C)=O)C/C(C)=C/[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238767628 IF Annotated Mild C=C(C(=O)O)[C@H]1CC[C@](C)(O)[C@H]2CC[C@](C)(O2)[C@H](OC(C)=O)CC[C@@](C)(OC)[C@@H](O)C1 ZINC000238767884 IF Annotated Mild CC[C@@H]1COc2c(OC)c(OC)cc3c2N1[C@@H]1C[C@@H]2OC(=O)C[C@@]24CCCN2CC[C@@]31[C@H]24 ZINC000238768877 IF Annotated Clean C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@@H]1[C@H]1[C@](C)(OC)C(=O)C(OC)=C[C@@]12CC=C ZINC000238768976 IF Annotated Mild C=C1[C@@H](O)C[C@@H]2[C@H]1C[C@]13CC[C@](C(C)C)(O[C@H]1OC(C)=O)[C@@H]3[C@@H](O)[C@@H](OC(C)=O)[C@@H]2C ZINC000238769049 IF Annotated Mild COC(=O)[C@H]1C[C@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]43O ZINC000238769345 IF Annotated Anodyne C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(C)C[C@]1(C)[C@]5(COC(C)=O)C(=O)OC ZINC000238770018 IF Annotated Anodyne CO[C@@H]1O[C@@H]2O[C@@]3(CC[C@]2(O)[C@H]1O)[C@@H](C)C[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@]13C ZINC000238771424 IF Annotated Anodyne CC(C)(O)[C@H](O)[C@H](O)[C@@H]1[C@@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4 ZINC000238771966 IF Annotated Anodyne CCCC(=O)O[C@H]1[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4O[C@@H](O)[C@]2([C@@H]43)[C@H]1O ZINC000238772076 IF Annotated Anodyne COc1ccc(C(=O)O[C@H]2CCN3C[C@@H]4C[C@@H](CN5C(=O)CCC[C@@H]45)[C@H]3C2)cc1OC ZINC000238772272 IF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\COC(C)=O)C=C(C)[C@@H]1C[C@H](OC(C)=O)C(=C)[C@@H]12 ZINC000238772404 IF Annotated Mild COC(=O)C1=CO[C@@H](C)[C@H]2CNCCc3c([nH]c4cc(OC)c(OC)cc34)C(=O)C[C@H]12 ZINC000238775325 IF Annotated Anodyne C=C1[C@@H]2C[C@@H]3OC(C)(C)O[C@H]4CCC(C)(C)[C@H]5[C@H](OC(C)=O)[C@@]6(O)OC[C@@]45[C@H]3[C@@]6(C2)[C@@H]1O ZINC000238775345 IF Annotated Mild COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@]23O)CC(C)(C)[C@@H]4O)c(O)c1 ZINC000238775530 IF Annotated Reactive CC1=C[C@H]2/C=C(\C)C[C@@H](CO)C[C@@H](O)/C=C\C(=O)O[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C ZINC000238776016 IF Annotated Anodyne CC(=O)O[C@H]1CC/C(C)=C\[C@@]2(O)OC(=O)C(C)=C2C[C@@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H]1O[C@]12C ZINC000238776087 IF Annotated Anodyne CC[C@H](Br)[C@@H]1C[C@@H](O)[C@@H](O)C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 ZINC000238776393 IF Annotated Reactive CC(=O)OC[C@@]12CC[C@H]3[C@@](C)(COC(C)=O)[C@H](O)C(=O)C[C@]3(C)[C@H]1CCc1cocc12 ZINC000238777236 IF Annotated Anodyne C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](COC(=O)[C@H](C)CC)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238779339 IF Annotated Mild CC(C)=CC[C@@H](O)[C@H](C)CCOc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1O ZINC000238781156 IF Annotated Anodyne CC(=O)O[C@@H]1C[C@@](O)(CCl)[C@](O)(CCc2ccoc2)[C@]23CCC[C@](C)(C(=O)OC2)[C@H]13 ZINC000238782019 IF Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](OC(C)=O)C(=C)[C@@H]1CC=C(C)[C@@H]12 ZINC000238782052 IF Annotated Mild CC(=O)O[C@H]1C[C@@H](C)[C@]23CC(=O)O[C@H](C2)[C@@H](C)[C@@](C)(COC(=O)c2ccccc2)[C@@]13O ZINC000238782922 IF Annotated Anodyne C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@@](C)(O)/C=C2/C=C(C(=O)OC)[C@@](OC)(C1)O2 ZINC000238783148 IF Annotated Mild C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@@](C)(O)/C=C2\C=C(C(=O)OC)[C@@](OC)(C1)O2 ZINC000238783156 IF Annotated Mild CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@](C)(OC(C)=O)C[C@H](OC(=O)C(C)C)[C@H]21 ZINC000238783235 IF Annotated Anodyne COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C=O)c(O)c(C=O)c2O)c(C)c1OC ZINC000238784090 IF Annotated Anodyne CC(=O)O[C@H]1C/C=C(\C)C[C@H]2O[C@H]([C@H]3[C@@H]2C(C)=C[C@@H](OC(C)=O)[C@@H]3[C@]2(C)CO2)[C@]1(C)O ZINC000238784961 IF Annotated Anodyne C/C1=C\C[C@@]23OC(C)(C)[C@@H](O)C=C2C(=O)c2c(cc(O)c(c2O)C/C(CO)=C\C1)C3=O ZINC000238785593 IF Annotated Mild CS/C=C/C(=O)O[C@H]1C[C@](C)(O)C(=O)CC[C@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000238786054 IF Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](O)[C@@H]3[C@H](Cc4occc4[C@@H]3C)[C@@]12C ZINC000238786112 IF Annotated Anodyne C=C1[C@@H]([C@@]2(C)C=CC(=O)C(C)(C)[C@H]2CC(=O)OC)CC[C@@]2(C)[C@H](C(C)=O)OC(=O)[C@H]3O[C@]132 ZINC000238786186 IF Annotated Mild C=C1C[C@@H]2O[C@@H]([C@H]3[C@H](C(C)C)[C@@H](O)C[C@](C)(OC(C)=O)[C@@H]23)[C@@](C)(OC(C)=O)CC[C@H]1O ZINC000238786292 IF Annotated Mild O=C1C=C[C@@H]2O[C@@H](c3ccccc3)[C@H](O[C@@H](c3ccccc3)[C@H](O)[C@H]3CC=CC(=O)O3)[C@@H]2O1 ZINC000238786364 IF Annotated Anodyne CCO[C@@]12C[C@H]3[C@@H](CC[C@@]4(O)C(C)(C)CC[C@H](OC(C)=O)[C@]34C)[C@](C)(O)C1=CC(=O)O2 ZINC000238786399 IF Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](OC(=O)CCC)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O ZINC000238786422 IF Annotated Mild C=C(O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O)[C@@H]1OC)[C@@H](/C=C\C=C/C=C\C(=O)CC)OC(=O)CC ZINC000238787593 IF Annotated Mild C=C(O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O)[C@@H]1OC)[C@@H](/C=C\C=C/C=C/C(=O)CC)OC(=O)CC ZINC000238787594 IF Annotated Mild C=C(O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O)[C@@H]1OC)[C@@H](/C=C\C=C\C=C/C(=O)CC)OC(=O)CC ZINC000238787595 IF Annotated Mild C=C(O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O)[C@@H]1OC)[C@@H](/C=C\C=C\C=C\C(=O)CC)OC(=O)CC ZINC000238787596 IF Annotated Mild CC(=O)O[C@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)(C)O)[C@H]1O[C@@H]2C/C(C)=C/C[C@H](OC(C)=O)[C@@]1(C)O ZINC000238788374 IF Annotated Anodyne COC1=CC(=O)C2=C(C1=O)[C@@H](c1cc(OC)c(OC)cc1OC)[C@H](C)[C@@](C)(OC)[C@H]2OC ZINC000238788629 IF Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000238788832 IF Annotated Mild C=C1[C@@H](O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](OC(C)=O)CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000238788864 IF Annotated Mild CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CCc3c(cc4c(c3C)CC(=O)O4)[C@@]2(C)[C@H]1OC(C)=O ZINC000238789684 IF Annotated Anodyne CCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(F)cc3)s2)c(=O)n(C)c1=O ZINC000002659396 IF Annotated Anodyne CCOc1c(Br)cc([C@H]2NS(=O)(=O)N=C3CCCCCN32)cc1OC ZINC000002660031 IF Annotated Anodyne CCOc1c(Br)cc([C@@H]2NS(=O)(=O)N=C3CCCCCN32)cc1OC ZINC000002660032 IF Annotated Anodyne CCCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000002716687 IF Annotated Anodyne COc1ccccc1-n1c(SCC(=O)NCc2ccco2)nc2c(c1=O)SCC2 ZINC000002719824 IF Annotated Anodyne Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002921685 IF Annotated Anodyne Cc1c(C(=O)NCc2ccco2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000002922538 IF Annotated Anodyne Cc1c(C(=O)NCc2ccco2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002922540 IF Annotated Anodyne Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C(N)=O)cc2)no1 ZINC000002925023 IF Annotated Anodyne O=C(O)CCCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccsc2c1=O ZINC000002925406 IF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1c(F)cc(F)cc1Br ZINC000002940387 IF Annotated Anodyne COc1cc2c(cc1OC)n(CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)n1c(C)cc(=O)nc21 ZINC000002948083 IF Annotated Anodyne CCOCCC/N=C(\O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(O)nc2c1 ZINC000002952685 IF Annotated Mild N#CCSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c2nc3ccccc3n12 ZINC000002970635 IF Annotated Mild O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1COc2ccccc2O1)N1CCCC1 ZINC000002971143 IF Annotated Anodyne O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1)N1CCCC1 ZINC000002971145 IF Annotated Anodyne CCOC(=O)c1sc(NC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c(C(=O)OCC)c1C ZINC000025329730 IF Annotated Anodyne CCOC(=O)c1sc(NC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c(C(=O)OCC)c1C ZINC000025329732 IF Annotated Anodyne O=C(NCc1c(F)cc(F)cc1F)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250078535 IF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000250993118 IF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000250993121 IF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000250993124 IF Annotated Anodyne CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3cccc(F)c3)cc2C[C@H]1C ZINC000251734303 IF Annotated Anodyne C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000252116664 IF Annotated Anodyne C[C@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000252116665 IF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CC2)[C@H]4C(=O)NC2CCCCC2)cc1 ZINC000253481542 IF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000253481543 IF Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000253636805 IF Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000253636808 IF Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000253636812 IF Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000253636816 IF Annotated Reactive Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)NNC(=O)c3cccs3)CC2)cc1 ZINC000253638216 IF Annotated Reactive CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccccc1 ZINC000253658893 IF Annotated Bother O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000253665643 IF Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000253665651 IF Annotated Anodyne O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000253681856 IF Annotated Anodyne O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000253681863 IF Annotated Anodyne COc1ccc([C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]2N)cc1 ZINC000253685594 IF Annotated Anodyne C=CCNC(=O)N[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000253685963 IF Annotated Mild C=CCNC(=O)N[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000253685970 IF Annotated Mild C=CCNC(=O)N[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000253685977 IF Annotated Mild Cc1c(F)c(N2C[C@H]3CC[C@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000253690159 IF Annotated Anodyne investigational CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000253694934 IF Annotated Reactive CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)O ZINC000253694944 IF Annotated Reactive CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 ZINC000253810832 IF Annotated Anodyne COC(=O)Cn1c(O)c(N=NC(=O)CNC(=O)COc2cccc(C)c2)c2ccccc21 ZINC000253947120 IF Annotated Clean CS(=O)(=O)c1cccc(-c2cc(N3C[C@H](N)[C@H](c4cc(F)c(F)cc4F)C3)ncn2)c1 ZINC000253975485 IF Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@H]3CC[C@]2(O)C1 ZINC000253981761 IF Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 ZINC000253981765 IF Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@@]2(O)C1 ZINC000253981769 IF Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N([C@H](C)c3ccccc3)C(=O)[C@H]12 ZINC000254005544 IF Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@@H]12 ZINC000254005546 IF Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N([C@H](C)c3ccccc3)C(=O)[C@@H]12 ZINC000254005548 IF Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@H]12 ZINC000254005551 IF Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@H]2COC[C@H]2O)nn1 ZINC000254016441 IF Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@H]2COC[C@@H]2O)nn1 ZINC000254016443 IF Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000254016446 IF Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000254016448 IF Annotated Mild O=C1[C@H]2[C@@H]3[C@H](CC[C@H]2C(=O)N1C1CCCCC1)C(=NOCc1ccccc1)C[C@H](O)[C@@H]3O ZINC000254019624 IF Annotated Mild O=C1[C@@H]2CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@@H]3[C@H]2C(=O)N1C1CCCCC1 ZINC000254019627 IF Annotated Mild O=C1[C@@H]2[C@@H](CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@H]32)C(=O)N1C1CCCCC1 ZINC000254019630 IF Annotated Mild O=C1[C@@H]2CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@H]2C(=O)N1C1CCCCC1 ZINC000254019633 IF Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1C[C@H]3O ZINC000254047094 IF Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@H]1C[C@H]3O ZINC000254047095 IF Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@]132 ZINC000254079377 IF Annotated Mild Cn1c2c(c3ccccc31)CCN1C(=O)[C@H]3S[C@]21[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000254093791 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@H]3S[C@]21[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000254093792 IF Annotated Anodyne CCOC(=O)O[C@H](C)O[P@@](=O)(CCCN(O)C(C)=O)O[C@H](C)OC(=O)OCC ZINC000254102270 IF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCNCC3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000254112291 IF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCNCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000254112293 IF Annotated Anodyne C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1[C@@H](O)C3 ZINC000254120940 IF Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@H]1[C@@H](O)C3 ZINC000254120946 IF Annotated Mild CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc([C@H](O)c3ccccc3)c2)nc1O ZINC000254124508 IF Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc([C@@H](O)c3ccccc3)c2)nc1O ZINC000254124515 IF Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc3c(c2)C(=O)c2ccccc2-3)nc1O ZINC000254124766 IF Annotated Anodyne CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@@H]12 ZINC000254136464 IF Annotated Bother CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@H]12 ZINC000254136469 IF Annotated Bother CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@@H]12 ZINC000254136472 IF Annotated Bother CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@H]12 ZINC000254136476 IF Annotated Bother C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 ZINC000254288039 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000254288041 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 ZINC000254288043 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000254288045 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccccc2)cc1OC ZINC000254342402 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccccc2)cc1OC ZINC000254342409 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccccc2)cc1OC ZINC000254342415 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccccc2)cc1OC ZINC000254342421 IF Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254349611 IF Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254349615 IF Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254349620 IF Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254349624 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1OC ZINC000254369472 IF Annotated Mild COc1ccc(N2C(=NC(=O)[C@H](C)Oc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254428405 IF Annotated Mild COc1ccc(N2C(=NC(=O)[C@H](C)Oc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254428410 IF Annotated Mild COc1ccc(N2C(=NC(=O)[C@H](C)Oc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254428413 IF Annotated Mild COc1ccc(N2C(=NC(=O)[C@H](C)Oc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254428417 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000254439908 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000254439931 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000254439932 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000254439933 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F)C1CC1 ZINC000254479117 IF Annotated Mild CN(C)c1ccc(N2C(=NC(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254488888 IF Annotated Mild CN(C)c1ccc(N2C(=NC(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254488889 IF Annotated Mild CN(C)c1ccc(N2C(=NC(=O)CCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254488891 IF Annotated Mild CN(C)c1ccc(N2C(=NC(=O)CCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254488893 IF Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F ZINC000254492052 IF Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F ZINC000254492054 IF Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F ZINC000254492055 IF Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F ZINC000254492057 IF Annotated Mild COc1ccc(CN2C(=NC(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254520578 IF Annotated Mild COc1ccc(CN2C(=NC(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254520583 IF Annotated Mild COc1ccc(CN2C(=NC(=O)CCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254520587 IF Annotated Mild COc1ccc(CN2C(=NC(=O)CCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254520591 IF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 ZINC000254533764 IF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 ZINC000254533769 IF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 ZINC000254533774 IF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 ZINC000254533778 IF Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254556345 IF Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254556347 IF Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254556349 IF Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254556351 IF Annotated Mild COc1ccc(OC)c2c1sc(=NC(=O)c1cccc(N3C(=O)CCC3=O)c1)n2C ZINC000254571665 IF Annotated Anodyne COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(C(C)=O)cc2)cc1 ZINC000254619483 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000254703776 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000254703777 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000254703778 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000254703779 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 ZINC000254705175 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 ZINC000254705178 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 ZINC000254705180 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 ZINC000254705182 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(F)cc2)cc1 ZINC000254705270 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(F)cc2)cc1 ZINC000254705273 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(F)cc2)cc1 ZINC000254705274 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(F)cc2)cc1 ZINC000254705276 IF Annotated Mild COc1ccc(CN2C(=NC(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254712929 IF Annotated Mild COc1ccc(CN2C(=NC(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254712933 IF Annotated Mild COc1ccc(CN2C(=NC(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254712936 IF Annotated Mild COc1ccc(CN2C(=NC(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254712939 IF Annotated Mild O=c1nc2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2nc1-c1ccccc1 ZINC000254741540 IF Annotated Bother aggregator C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 ZINC000254746534 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 ZINC000254746535 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 ZINC000254746536 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 ZINC000254746537 IF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254751232 IF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254751239 IF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254751244 IF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254751249 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C(C)=O)cc2)cc1 ZINC000254759415 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(C(C)=O)cc2)cc1 ZINC000254759417 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C(C)=O)cc2)cc1 ZINC000254759420 IF Annotated Mild CCCn1c(=NC(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 ZINC000254790608 IF Annotated Bother O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000254791865 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000254791868 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000254791871 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000254791873 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F)C1CC1 ZINC000254797684 IF Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F)C1CC1 ZINC000254797686 IF Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F)C1CC1 ZINC000254797688 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000254798900 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000254798902 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000254798905 IF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000254798906 IF Annotated Mild COC(=O)Cn1c(=NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(OC)ccc21 ZINC000254809122 IF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000254824003 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000254824004 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000254824005 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000254824006 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1OC ZINC000254835184 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1OC ZINC000254835185 IF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1OC ZINC000254835186 IF Annotated Mild COc1ccccc1N1C(=NC(=O)[C@H](C)Oc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254851753 IF Annotated Mild COc1ccccc1N1C(=NC(=O)[C@H](C)Oc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254851756 IF Annotated Mild COc1ccccc1N1C(=NC(=O)[C@H](C)Oc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254851758 IF Annotated Mild COc1ccccc1N1C(=NC(=O)[C@H](C)Oc2ccccc2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254851761 IF Annotated Mild COc1ccc(OC)c(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254867086 IF Annotated Mild COc1ccc(OC)c(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254867087 IF Annotated Mild COc1ccc(OC)c(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254867088 IF Annotated Mild COc1ccc(OC)c(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254867089 IF Annotated Mild COc1ccc(CCN2C(=O)C[C@@H](C(N)=O)SC2=Nc2ccc(F)cc2)cc1OC ZINC000254874223 IF Annotated Mild CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)C(=Nc2ccc(OC)cc2)S1 ZINC000254875518 IF Annotated Mild CNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)C(=Nc2ccc(OC)cc2)S1 ZINC000254875519 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254904574 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254904576 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254904579 IF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254904581 IF Annotated Mild C/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1/N=C/c1ccc(O)c(OC)c1 ZINC000025719612 IF Annotated Mild Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1cc(COCOCCO)no1 ZINC000025965905 IF Annotated Anodyne CCC/N=c1\c(O)c(O)\c1=N/[C@@H](Cc1ccc(-c2c(OC)cccc2OC)cc1)C(=O)O ZINC000025999671 IF Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)c7ccccc7)C[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000255193416 IF Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2C[C@@H](OC(C)=O)[C@]2(C)[C@@H](C(C)=O)CC(=O)[C@]32O)C1 ZINC000255194003 IF Annotated Anodyne CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C ZINC000255209955 IF Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)c7ccccc7)[C@@H](O)[C@]47[C@H](C2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000255210370 IF Annotated Mild CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3O)[C@@]13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@H]43 ZINC000255218845 IF Annotated Anodyne CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34O)[C@]23O[C@H]13 ZINC000255219183 IF Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)C[C@H](OC=O)[C@@H]2c1ccc(=O)oc1 ZINC000255219837 IF Annotated Mild CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@]23CC(=O)O[C@]24[C@H]1CCCCN4[C@H]([C@@H]1C[C@H](C)C(=O)O1)C3 ZINC000255219895 IF Annotated Anodyne C[C@H]1C[C@@]23CC[C@H]4C(C)(C)[C@H](O[C@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]2CC(=O)[C@@H]1C3 ZINC000255220189 IF Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC[C@@]45C[C@@H]6C[C@@H](O[C@@H](O6)O4)[C@]35C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000255221510 IF Annotated Mild C=C1[C@H]2C[C@]3([C@H](C[C@@H]2OC(C)=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1OC(C)=O ZINC000255225547 IF Annotated Mild C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CCOC6=O)CC[C@]5(O)[C@@H]4CC[C@@]1(C3)O2 ZINC000255228605 IF Annotated Mild C[C@@]12C(=O)C[C@@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@@H]1OC[C@]2(C)[C@H](O)C[C@H](O)[C@@]3(C)[C@@H]12 ZINC000255239027 IF Annotated Anodyne C[C@@H]1CC(=O)[C@H](O)[C@@]2(O)C[C@@]3(C)C4=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46[C@@H](O)C[C@]3(C)[C@@H]12 ZINC000255249811 IF Annotated Anodyne C[C@@H]1CC(=O)[C@H](O)[C@@]2(O)C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46[C@@H](O)C[C@]3(C)[C@@H]12 ZINC000255249814 IF Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(=O)C=C3[C@H](CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]34O)[C@@]2(C)C[C@@H]1OC(C)=O ZINC000255259679 IF Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)[C@H]3C(=O)C[C@@H](C4=C[C@H](O)OC4=O)[C@]3(C)CC[C@H]21 ZINC000255271737 IF Annotated Mild C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](OC(=O)C(C)C)[C@H]1[C@@H](OC(C)=O)[C@@H]73 ZINC000255273469 IF Annotated Mild COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000255274686 IF Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)[C@H]3C(=O)C[C@@H](C4=CC(=O)O[C@@H]4O)[C@]3(C)CC[C@H]21 ZINC000255277779 IF Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4C(=C3C[C@H](O)[C@@H]1[C@]2(C)O)C[C@H](O)[C@H]1C[C@@H](O)CC[C@@]14C ZINC000255281713 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1 ZINC000257384528 IF Annotated Reactive CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000257384529 IF Annotated Reactive CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@]2(C)CC1 ZINC000257384530 IF Annotated Reactive CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000257384531 IF Annotated Reactive CC(C)C1=C2[C@@H]3CC=C(CO)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1 ZINC000257407073 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C(CO)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1 ZINC000257407074 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C(CO)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@]2(C)CC1 ZINC000257407075 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C(CO)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000257407076 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC[C@@H]4[C@H](O)O[C@@H]5[C@H](O)CO[C@@H]6O[C@H]([C@@H]4[C@@]65O)[C@]3(C)CC[C@]2(C)CC1 ZINC000257419939 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC[C@@H]4[C@H](O)O[C@@H]5[C@H](O)CO[C@@H]6O[C@H]([C@@H]4[C@@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000257419940 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC[C@@H]4[C@H](O)O[C@@H]5[C@H](O)CO[C@@H]6O[C@H]([C@@H]4[C@@]65O)[C@@]3(C)CC[C@]2(C)CC1 ZINC000257419941 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC[C@@H]4[C@H](O)O[C@@H]5[C@H](O)CO[C@@H]6O[C@H]([C@@H]4[C@@]65O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000257419942 IF Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000257453533 IF Annotated Reactive COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(O)c1 ZINC000257453534 IF Annotated Reactive CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@]3(C)CC[C@]2(C)CC1 ZINC000257475889 IF Annotated Reactive CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000257475890 IF Annotated Reactive CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000257475891 IF Annotated Reactive CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@@]3(C)CC[C@]2(C)CC1 ZINC000257475892 IF Annotated Reactive COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@]23O)CC(C)(C)[C@H]4O)c(O)c1 ZINC000257495725 IF Annotated Reactive COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@H]4O)c(O)c1 ZINC000257495726 IF Annotated Reactive C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@]2(C)O[C@@H]2[C@H]1OC(C)=O ZINC000257755171 IF Annotated Mild C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@]2(C)O[C@@H]2[C@@H]1OC(C)=O ZINC000257755174 IF Annotated Mild C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@H]1OC(C)=O ZINC000257755176 IF Annotated Mild C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1OC(C)=O ZINC000257755179 IF Annotated Mild O=C(N[C@@H](Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1)c1ccccn1 ZINC000026012545 IF Annotated Anodyne COc1ccc([C@@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026172113 IF Annotated Bother COc1ccc([C@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026172118 IF Annotated Bother COc1ccc([C@@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026172123 IF Annotated Bother COc1ccc([C@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026172127 IF Annotated Bother COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3CO[C@H](CCO)[C@H]23)OCO4)cc(OC)c1OC ZINC000026250434 IF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3CO[C@@H](CCO)[C@H]23)OCO4)cc(OC)c1OC ZINC000026250438 IF Annotated Anodyne C#CCO[C@@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026251402 IF Annotated Mild C#CCO[C@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026251408 IF Annotated Mild CN(NS(=O)(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000026251855 IF Annotated Anodyne CC(=O)c1ccc2c(c1)[C@H](N1CCN(C(=O)c3ccc(F)cc3)CC1=O)[C@H](O)C(C)(C)O2 ZINC000026278651 IF Annotated Anodyne CC(=O)c1ccc2c(c1)[C@@H](N1CCN(C(=O)c3ccc(F)cc3)CC1=O)[C@H](O)C(C)(C)O2 ZINC000026278658 IF Annotated Anodyne CCOC(=O)C(C)=C1CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1 ZINC000026287261 IF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C[C@@H](C)OC(C)=O)CC3)c(F)c2)C(=O)O1 ZINC000026291552 IF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C[C@H](C)OC(C)=O)CC3)c(F)c2)C(=O)O1 ZINC000026291559 IF Annotated Anodyne C[C@@]1(CSc2nc3ccccc3o2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O ZINC000026292959 IF Annotated Reactive CN(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000026364089 IF Annotated Clean CN(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000026364093 IF Annotated Clean CC(=O)O[C@@H](COCc1ccc([N+](=O)[O-])cc1)CO[P@](=O)(O)CCCCCC(=O)O ZINC000026382297 IF Annotated Bother Oc1ccc(N2CCN([C@@H](c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1 ZINC000026438872 IF Annotated Anodyne Oc1ccc(N2CCN([C@H](c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1 ZINC000026438876 IF Annotated Anodyne CC(C)N1Cc2ccc(C(=O)N(C)CCC3CCNCC3)cc2C[C@@H](CC(=O)O)C1=O ZINC000026498081 IF Annotated Anodyne CC(C)N1Cc2ccc(C(=O)N(C)CCC3CCNCC3)cc2C[C@H](CC(=O)O)C1=O ZINC000026498084 IF Annotated Anodyne CCCCN1Cc2ccc(C(=O)N(C)CCC3CCNCC3)cc2C[C@@H](CC(=O)O)C1=O ZINC000026499611 IF Annotated Anodyne CCCCN1Cc2ccc(C(=O)N(C)CCC3CCNCC3)cc2C[C@H](CC(=O)O)C1=O ZINC000026499614 IF Annotated Anodyne C[C@H]1C[C@@]2(Cc3ccc(Cl)cc3[C@]23N=C(N)N(Cc2ncccn2)C3=O)C[C@@H](C)[C@@H]1O ZINC000261082603 IF Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1 ZINC000261087825 IF Annotated Anodyne C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261089341 IF Annotated Anodyne C[C@H](NC(=O)C1CC1)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261089344 IF Annotated Anodyne COc1cccc(S(=O)(=O)N2CCO[C@]23CCN(C(=O)Nc2ccccc2)C[C@H]3F)c1 ZINC000261095826 IF Annotated Anodyne COc1cccc(S(=O)(=O)N2CCO[C@@]23CCN(C(=O)Nc2ccccc2)C[C@H]3F)c1 ZINC000261095828 IF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2C[C@H]3[C@H](C2)C3(F)F)cc1F ZINC000261098778 IF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2C[C@@H]3[C@@H](C2)C3(F)F)cc1F ZINC000261098779 IF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000261098780 IF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1F ZINC000261102356 IF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOC(C)(C)C4)n3)C2)cc1 ZINC000261105066 IF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C[C@@H]4CCCO4)n3)C2)cc1 ZINC000261112096 IF Annotated Anodyne CNC(=O)n1nc2c(c1C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261118400 IF Annotated Anodyne CNC(=O)n1nc2c(c1C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261118402 IF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5C[C@H]4CN5)cn3)nc2n1C1CCCC1 ZINC000261119146 IF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCc5nocc5C4)n3)C2)cc1 ZINC000261129632 IF Annotated Anodyne CN(CC(=O)O)C(=O)C(C)(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 ZINC000261134906 IF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCO[C@H](C)C4)ncc3F)C2)cc1 ZINC000261137762 IF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCO[C@@H](C)C4)ncc3F)C2)cc1 ZINC000261137764 IF Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NC1(C(=O)O)CC1 ZINC000261144581 IF Annotated Anodyne Nc1c(Cl)cc(C(=O)N(C2CC2)[C@@H]2CC[C@H](C(=O)NCC(=O)O)CC2)cc1Cl ZINC000261153316 IF Annotated Anodyne CCN(C)c1nccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)n1 ZINC000261153772 IF Annotated Anodyne CCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)n1 ZINC000261153775 IF Annotated Anodyne CN(C)CCSc1ccc(C=c2nc(O)c(=Cc3cccc(Cl)c3)nc2O)s1 ZINC000261156415 IF Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4C4CCOCC4)ncc23)ccn1 ZINC000261163950 IF Annotated Anodyne COCCCN(C)c1ncc(F)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 ZINC000261172332 IF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1F ZINC000261173550 IF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CCC#N)ncc3F)C2)cc1 ZINC000261175814 IF Annotated Mild Oc1nc(=Cc2ccc(OCCCc3cccnc3)cc2)c(O)nc1=Cc1ccccc1 ZINC000261184759 IF Annotated Anodyne CCc1nn(CCO)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261188004 IF Annotated Anodyne CCc1nn(CCO)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261188006 IF Annotated Anodyne CCOC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261189549 IF Annotated Anodyne CCOC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261189550 IF Annotated Anodyne CNC(=O)n1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000261191454 IF Annotated Anodyne CNC(=O)n1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000261191455 IF Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3ccccc3)c2)nc1O ZINC000261513612 IF Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000263590250 IF Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000263590251 IF Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)cc1OC ZINC000263590343 IF Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1OC ZINC000263590344 IF Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 ZINC000263590400 IF Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c1 ZINC000263590401 IF Annotated Anodyne O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C/CBr ZINC000263591307 IF Annotated Reactive O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C\CBr ZINC000263591308 IF Annotated Reactive O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C\CBr ZINC000263591309 IF Annotated Reactive O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C/CBr ZINC000263591310 IF Annotated Reactive COCCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1NC(C)=C1C=CC(=O)C=C1 ZINC000263591788 IF Annotated Mild C=C1[C@@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000263591849 IF Annotated Mild CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000263597851 IF Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000263597852 IF Annotated Anodyne Nc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O ZINC000263611749 IF Annotated Clean COCCN1CCN(C(=O)c2nc3cc(C(F)(F)F)c(C)c([N+](=O)[O-])c3s2)CC1 ZINC000263620243 IF Annotated Bother CCC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)[C@@H](C(F)(F)F)C1 ZINC000263620314 IF Annotated Anodyne C[C@@H]1COCCN1C1=N[C@@H]2N(CC[C@@H](C(F)(F)F)N2Cc2cncc(Cl)c2)C(=O)C1 ZINC000263620532 IF Annotated Anodyne C[C@@H]1COCCN1C1=N[C@H]2N(CC[C@@H](C(F)(F)F)N2Cc2cncc(Cl)c2)C(=O)C1 ZINC000263620533 IF Annotated Anodyne CCOC(=O)c1csc(-c2nc(-c3csc([C@@H](N)CCCNC(=N)N)n3)oc2C)n1 ZINC000263620694 IF Annotated Anodyne Cc1nc2cnc(Nc3ccnc(N4CCC(S(C)(=O)=O)CC4)n3)cc2n1C(C)C ZINC000263621098 IF Annotated Anodyne CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2CS1(=O)=O ZINC000263621348 IF Annotated Anodyne CCOc1cc2cc(CO)c(CO)c(C3=CCN(CCOC)C(=O)C3)c2cc1OCC ZINC000026640978 IF Annotated Anodyne O=C(CCCc1ccc(N(CCCl)CCCl)cc1)OCCN1C(=O)C=CC1=O ZINC000026643720 IF Annotated Reactive COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCN(C)C)(C2)[C@@H]13 ZINC000026647327 IF Annotated Anodyne O=S(=O)(c1ccc(N2CCOCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 ZINC000026661039 IF Annotated Anodyne COC(=O)C1=C[C@]23CCCN4CC[C@@]5(c6ccc7c(c6N(C(=O)OC)[C@@]15CC2)OCO7)[C@@H]43 ZINC000026668071 IF Annotated Anodyne N[C@H](CC1CCCCC1)C(=O)N1[C@H](C(=O)NC/C=C/c2c[nH]cn2)C[C@@H]2CCCC[C@@H]21 ZINC000026668687 IF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc(CN)cc4)cs3)[C@H](C)[C@H]12 ZINC000026675075 IF Annotated Anodyne Cc1cn([C@H]2C=C[C@H](CO[P@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000026675583 IF Annotated Reactive Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000026675586 IF Annotated Reactive COc1ccccc1OCC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000026731552 IF Annotated Mild CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCc3ccccc3NC(C)=O)n2)o1 ZINC000026734816 IF Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C(=N)N(C)C)c4oc5ccccc5c4c3)C[C@H]12 ZINC000026743561 IF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C4=NCCCN4)c4oc5ccccc5c4c3)C[C@H]12 ZINC000026745039 IF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C4=NCCN4C)c4oc5ccccc5c4c3)C[C@H]12 ZINC000026749510 IF Annotated Anodyne O=C(NO)[C@@H](CCn1c(=O)[nH]c2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1 ZINC000026750775 IF Annotated Bother O=C(NO)[C@H](CCn1c(=O)[nH]c2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1 ZINC000026750780 IF Annotated Bother C[n+]1c(COc2ccc(/C=N/NC3=NCCCN3)cc2)cn2cc(C(F)(F)F)ccc21 ZINC000026819672 IF Annotated Mild CO[C@H]1C=C(c2nn(C3=CCCC([P@](=O)(O)CC(=O)O)=C3)c3ncnc(N)c23)C=CC1 ZINC000026828375 IF Annotated Anodyne CO[C@@H]1C=C(c2nn(C3=CCCC([P@](=O)(O)CC(=O)O)=C3)c3ncnc(N)c23)C=CC1 ZINC000026828380 IF Annotated Anodyne NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026846761 IF Annotated Clean O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3C[C@@H]4CCCN[C@@H]4C3)c(F)cc2c1=O ZINC000026935648 IF Annotated Anodyne CN(Cc1nc2ccccc2s1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026957953 IF Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1c(O)nc2sc(C(F)(F)F)nn2c1=O ZINC000026985709 IF Annotated Anodyne CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(O)cc1c3[nH]n2CCN1CCCC1 ZINC000026995922 IF Annotated Bother COc1ccc([S@@](=O)[C@@H]2CC(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000027073770 IF Annotated Anodyne COc1ccc([S@](=O)[C@@H]2CC(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000027073775 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2CC[C@H]3C[C@@]4(CCC=C[C@H](CC)O4)NC(=[N+]32)N[C@@]12CCC[C@@H](C)O2 ZINC000027093043 IF Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@H](O)CC(=O)O)[C@]21C ZINC000027186869 IF Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@]21C ZINC000027186872 IF Annotated Anodyne CC(C)[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCCCCC[C@H](CO)NC1=O ZINC000027191572 IF Annotated Anodyne CCSCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1 ZINC000027201141 IF Annotated Mild CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(N)=O)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027209427 IF Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(N)=O)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027209431 IF Annotated Anodyne CC(C)CN(CCCN1CCN(CCCNc2ncnc3[nH]cnc23)CC1)CC(C)C ZINC000027211590 IF Annotated Anodyne O=C(NNc1ccccc1)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000027298807 IF Annotated Reactive O=C(NNc1ccccc1)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000027298812 IF Annotated Reactive COc1cc(Cc2cc(Cc3cc(OC)c(O)c(OC)c3)c(N)nc2N)cc(OC)c1O ZINC000027302520 IF Annotated Anodyne Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000027313397 IF Annotated Mild CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(Br)cc1 ZINC000027314203 IF Annotated Anodyne CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(Br)cc1 ZINC000027314209 IF Annotated Anodyne CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(Br)cc1 ZINC000027314215 IF Annotated Anodyne CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(Br)cc1 ZINC000027314221 IF Annotated Anodyne Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2cccc3ccccc23)c1 ZINC000027316323 IF Annotated Mild N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1c1ccc(F)cc1 ZINC000027410875 IF Annotated Anodyne N[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1c1ccc(F)cc1 ZINC000027410881 IF Annotated Anodyne COc1ccc([C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@@H]2N)cc1 ZINC000027410887 IF Annotated Anodyne O=C1O[C@@H](COc2ccon2)CN1c1ccc(C2=CCN(C(=S)CO)CC2)c(F)c1 ZINC000027415443 IF Annotated Anodyne COc1ccccc1[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N ZINC000027417672 IF Annotated Anodyne COc1ccccc1[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N ZINC000027417676 IF Annotated Anodyne CC(C)NC(=N)NN=Cc1ccc(-c2cn3cc(C=NNC(=N)NC(C)C)ccc3n2)cc1 ZINC000027431077 IF Annotated Anodyne CCCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NCC)c1ccc(N)cc1)OCO2 ZINC000027438725 IF Annotated Reactive COc1ccc(O)c(/C=N/CCCNCCNCCC/N=C/c2cc(OC)ccc2O)c1 ZINC000027439356 IF Annotated Mild COc1cc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN(C)C)cc(OC)c1OC ZINC000027442937 IF Annotated Anodyne COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN(C)C)cc(OC)c1OC ZINC000027442943 IF Annotated Anodyne COc1cc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc(OC)c1OC(C)=O ZINC000027517371 IF Annotated Anodyne COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc(OC)c1OC(C)=O ZINC000027517373 IF Annotated Anodyne CCCCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NC)c1ccc(N)cc1)OCO2 ZINC000027517542 IF Annotated Reactive CCCCNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OC)OCO2 ZINC000027517736 IF Annotated Reactive CCCCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NCC)c1ccc(N)cc1)OCO2 ZINC000027517799 IF Annotated Reactive COc1cc([C@@H]2CN=C(c3ccc4c(ccn4S(C)(=O)=O)c3)O2)cc(OC)c1OC ZINC000027524120 IF Annotated Anodyne COc1cc([C@H]2CN=C(c3ccc4c(ccn4S(C)(=O)=O)c3)O2)cc(OC)c1OC ZINC000027524121 IF Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCN(CC(F)(F)F)CC4)c(F)cc3c1=O)SCC2 ZINC000027524368 IF Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(NC(C)=O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000027525913 IF Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(NC(C)=O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000027525915 IF Annotated Anodyne C(=N/NC1=NCCCN1)\c1c2ccccc2c(/C=N/NC2=NCCCN2)c2ccccc12 ZINC000027559946 IF Annotated Mild C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2c1ccc1ccccc12 ZINC000027560354 IF Annotated Mild Cc1c(F)c(N2C[C@H]3CC[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000027560384 IF Annotated Anodyne Cc1ccc2c(/C=N/NC3=NCCN3)c3ccccc3c(/C=N/NC3=NCCN3)c2c1Cl ZINC000027562311 IF Annotated Mild CN[C@H]1CCN(c2nc3c(c(C)c2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000027563936 IF Annotated Anodyne CCOC(=O)CN(Cc1cc2c(cc1Cl)OCO2)[C@@H](Cc1ccc(O)cc1)C(=O)O ZINC000027637242 IF Annotated Anodyne CCOC(=O)CN(Cc1cc2c(cc1Cl)OCO2)[C@H](Cc1ccc(O)cc1)C(=O)O ZINC000027637247 IF Annotated Anodyne CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(/C=C/CI)c1=O ZINC000027639858 IF Annotated Reactive C[N+]1(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(C)CCOCC4)cc3)cc2)CCOCC1 ZINC000027646404 IF Annotated Mild CO[C@H]1C(=O)N2c3c(cn(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)CS(=O)(=O)[C@H]12 ZINC000027746711 IF Annotated Bother COc1ccc2c(c1Br)CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@@H]3C[C@@H]21 ZINC000027763213 IF Annotated Anodyne COC(=O)[C@@H](CN(C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12 ZINC000027769919 IF Annotated Clean COC(=O)[C@H](CN(C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12 ZINC000027769926 IF Annotated Clean CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(C(F)F)c21 ZINC000027857504 IF Annotated Anodyne O=C(O)c1c2cccc1COCCOCCOc1ccccc1OCCOCCOC2 ZINC000027861100 IF Annotated Anodyne CCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000027866445 IF Annotated Mild CCCS(=O)(=O)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027874409 IF Annotated Anodyne CCCOc1nc(C(Br)Br)c([N+](=O)[O-])c(N2CCOCC2)n1 ZINC000027875393 IF Annotated Reactive CC(C)S(=O)(=O)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027880038 IF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2c([N+](=O)[O-])cnc2C)CC1 ZINC000027899098 IF Annotated Bother COc1ccc(-c2cnn3c(N)nc(Oc4ccc5c(O)cc(=O)oc5c4)nc23)cc1OC ZINC000027899737 IF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCSc2nccn2C)CC1 ZINC000027980218 IF Annotated Anodyne COc1cc(NS(=O)(=O)c2ccc(-n3sc4ccccc4c3=O)cc2)nc(OC)n1 ZINC000027988445 IF Annotated Anodyne CN[C@@H](C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000027989525 IF Annotated Anodyne CN[C@H](C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000027989532 IF Annotated Anodyne CN[C@@H](C)[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000027989537 IF Annotated Anodyne CN[C@H](C)[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000027989542 IF Annotated Anodyne O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027993652 IF Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027999801 IF Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028000402 IF Annotated Anodyne O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028000407 IF Annotated Anodyne CC(=O)Nc1ccc(-c2nnc(O)n3c(Br)c(Br)nc23)cc1 ZINC000028013748 IF Annotated Anodyne CCCCCS(=O)(=O)C[C@@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000028014606 IF Annotated Bother CCCCCS(=O)(=O)C[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000028014612 IF Annotated Bother CCCC(=O)OCC1(N(C(=O)CCC)c2ccccc2)CCN(CCn2ncnn2)CC1 ZINC000028016746 IF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CCN(CCn2ncnn2)CC1 ZINC000028017749 IF Annotated Anodyne C/C=C(/C)C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028020645 IF Annotated Anodyne CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000028020916 IF Annotated Clean CC(=O)Nc1cccc(-c2nnc(O)n3c(Br)c(Br)nc23)c1 ZINC000028022461 IF Annotated Anodyne CC/N=C(\S)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028086218 IF Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3cc(NC(=O)OC(C)(C)C)cn3)c(F)c2)C(=O)O1 ZINC000028089391 IF Annotated Anodyne CN1/C(=c2\s/c(=C\c3cccc[n+]3C)n(Cc3ccccc3)c2=O)Sc2ccccc21 ZINC000028092708 IF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(NC(=O)OC(C)(C)C)n3)c(F)c2)C(=O)O1 ZINC000028094577 IF Annotated Anodyne CN1/C(=c2\s/c(=C\c3cc[n+](C)cc3)n(Cc3ccccc3)c2=O)Sc2ccccc21 ZINC000028096972 IF Annotated Clean COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)c(N)c1)C3=CC2=O ZINC000028097881 IF Annotated Mild O=C1OC[C@@H](Cc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000028137592 IF Annotated Bother O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1cc[n+]([O-])cc1 ZINC000028228967 IF Annotated Reactive CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2cc(C)ccc2C)n(CCCC)c1=O ZINC000028231526 IF Annotated Anodyne CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2cc(F)ccc2C)n(CCCC)c1=O ZINC000028232084 IF Annotated Anodyne CCOC(=O)CN(CCN(CC(=O)OCC)Cc1ccccc1O)Cc1ccccc1O ZINC000028233494 IF Annotated Clean CC1(C)S[C@@H]2[C@@H](NC(=O)N/C=C/c3ccc(Cl)c(Cl)c3)C(=O)N2[C@H]1C(=O)O ZINC000028254073 IF Annotated Anodyne CC1(C)S[C@H]2[C@@H](NC(=O)N/C=C/c3ccc(Cl)c(Cl)c3)C(=O)N2[C@H]1C(=O)O ZINC000028254079 IF Annotated Anodyne CC1(C)S[C@@H]2[C@H](NC(=O)N/C=C/c3ccc(Cl)c(Cl)c3)C(=O)N2[C@H]1C(=O)O ZINC000028254085 IF Annotated Anodyne CC1(C)S[C@H]2[C@H](NC(=O)N/C=C/c3ccc(Cl)c(Cl)c3)C(=O)N2[C@H]1C(=O)O ZINC000028254091 IF Annotated Anodyne O=C1OC[C@H](Cc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000028335142 IF Annotated Bother Cc1ccccc1N1CCN(c2ccc(N3C[C@H](CN(N)C=S)OC3=O)cc2F)CC1 ZINC000028351963 IF Annotated Anodyne Cn1cncc1CN1C[C@@H](N(Cc2ccccc2)S(C)(=O)=O)Cc2cc(C#N)ccc21 ZINC000028353798 IF Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccccc2)S(C)(=O)=O)Cc2cc(C#N)ccc21 ZINC000028353804 IF Annotated Mild NN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)C(=O)O1 ZINC000028360963 IF Annotated Anodyne CN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)C(=O)O1 ZINC000028364072 IF Annotated Anodyne CON(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)C(=O)O1 ZINC000028367871 IF Annotated Anodyne COCCN1C(=S)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C ZINC000028371777 IF Annotated Mild CC(=O)Nc1ccc(Sc2ccc(N3C[C@H](CNC(=S)NN)OC3=O)cc2F)cc1 ZINC000028372781 IF Annotated Anodyne Cc1c(N2C[C@H]3CCC[C@@H](N)[C@H]3C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000028389953 IF Annotated Anodyne O=C(c1ccncc1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000028458283 IF Annotated Anodyne COc1c(N2C[C@H](C)N[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028458337 IF Annotated Anodyne O=C(c1ccco1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4cccs4)NC3=O)ccc21 ZINC000028463957 IF Annotated Anodyne O=C(c1ccco1)N1CCc2cc(S(=O)(=O)N3C[C@@H](c4cccs4)NC3=O)ccc21 ZINC000028463961 IF Annotated Anodyne CCOC(=O)/N=C(/N)Nc1ccc2c(c1)C(=O)c1cc(N/C(N)=N\C(=O)OCC)ccc1-2 ZINC000028472920 IF Annotated Mild CCCc1cn2c(/C=N/N=C(N)N)c(-c3c(OC)ccc(OC)c3[N+](=O)[O-])nc2s1 ZINC000028477780 IF Annotated Mild O=C(CO)N/C(=C\c1ccc(Oc2ccccc2I)cc1)C(=O)O ZINC000028522324 IF Annotated Anodyne Cc1cc2c(cc1C)C(=O)N(NC(=O)c1ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc1)C2=O ZINC000028523370 IF Annotated Anodyne O=Cn1ccnc1N(CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)Cc1ccccc1 ZINC000028524021 IF Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000028524414 IF Annotated Anodyne CCOC(=O)N1CC[C@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3=O)S[C@@H]2C1 ZINC000028524610 IF Annotated Anodyne CCOC(=O)N1CC[C@@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3=O)S[C@@H]2C1 ZINC000028524611 IF Annotated Anodyne CCOC(=O)N1CC[C@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3=O)S[C@H]2C1 ZINC000028524612 IF Annotated Anodyne CCOC(=O)N1CC[C@@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3=O)S[C@H]2C1 ZINC000028524613 IF Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc2c(c1)OCO2 ZINC000028524681 IF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(C)o4)CC3)c(F)c2)C(=O)O1 ZINC000028525226 IF Annotated Anodyne C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(c3ccccn3)CC2)c1O ZINC000028527961 IF Annotated Reactive C=CCCOC(=O)N/C(=N/C(C)C)NC1=NC(=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000028528530 IF Annotated Mild COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)N3CCCCC3)C1)N2 ZINC000028529535 IF Annotated Anodyne COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)N3CCCCC3)C1)N2 ZINC000028529537 IF Annotated Anodyne O=C1CCCN1CCCNc1ncccc1-c1n[nH]c(Nc2ccc3c(c2)OCCO3)n1 ZINC000028564280 IF Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000028565114 IF Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccnn2C)sc2c1CCC(C)(C)C2 ZINC000028565197 IF Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ncccn2)sc2c1CCC(C)(C)C2 ZINC000028565355 IF Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2nccn2C)sc2c1CCC(C)(C)C2 ZINC000028565521 IF Annotated Mild COc1cc(OC)nc(NC(=S)NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000028566348 IF Annotated Bother O=c1n(Cc2ccc(P(=O)(O)O)cc2)c2ccccc2n1Cc1nc2ccccc2[nH]1 ZINC000028569545 IF Annotated Anodyne COC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(N(C)CC(C)(C)C)n2)c1 ZINC000028635716 IF Annotated Anodyne COC1=C(OCc2ccc([N+](=O)[O-])cc2)/C(=C/CN2CNc3c(Cl)ncnc32)OC1=O ZINC000028637052 IF Annotated Bother COc1ccc(OC)c(/C=C2\NC(=O)[C@@H]3Cc4c(OC)ccc(OC)c4[C@H](C)N3C2=O)c1 ZINC000028640870 IF Annotated Anodyne COc1ccc(OC)c2c1C[C@@H]([C@H]1c3c(OC)ccc(OC)c3C[C@@H](CO)N1C)N[C@H]2C ZINC000028641618 IF Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC ZINC000028648996 IF Annotated Bother COc1cc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)nc3)o2)cc(OC)c1OC ZINC000028649000 IF Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC ZINC000028649031 IF Annotated Bother O=C1/C(=N\NC(=S)NCc2ccccc2)c2cc(F)ccc2N1CN1CCCCC1 ZINC000028651502 IF Annotated Mild O=C1/C(=N\NC(=S)Nc2ccc(Cl)cc2)c2cc(F)ccc2N1CN1CCOCC1 ZINC000028651516 IF Annotated Mild O=C1/C(=N\NC(=S)NC2CCCCC2)c2cc([N+](=O)[O-])ccc2N1CN1CCCCC1 ZINC000028651549 IF Annotated Mild C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000028651679 IF Annotated Mild C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000028651683 IF Annotated Mild COC(=O)c1ccc([C@@H](C)n2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1 ZINC000028655991 IF Annotated Bother COC(=O)c1ccc([C@H](C)n2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1 ZINC000028655994 IF Annotated Bother C[C@H](NCCC#N)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C1 ZINC000028703404 IF Annotated Mild C[C@H](NCCC#N)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1 ZINC000028703406 IF Annotated Mild N[C@@H]1CCCN(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H](N)C3)n2)C1 ZINC000028703878 IF Annotated Anodyne N[C@H]1CCCN(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H](N)C3)n2)C1 ZINC000028703880 IF Annotated Anodyne CS(=O)(=O)Cc1c(Br)c(O)c(O)c(Br)c1Br ZINC000028707383 IF Annotated Clean CSc1ccc(OCc2nnc3n2N=C(NC(=O)c2ccccc2O)CS3)cc1 ZINC000028709028 IF Annotated Anodyne CC(C)NC[C@@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711450 IF Annotated Anodyne CC(C)NC[C@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711451 IF Annotated Anodyne COC(=O)c1cnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 ZINC000028711631 IF Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(NC(=O)NC(=O)c4ccccc4)cc(c23)C1=O ZINC000028712244 IF Annotated Anodyne COC(=O)[C@@H]1C(C(=O)O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028712869 IF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C=C(C(=O)O)[C@H]2C(=O)O)OCO4)cc(OC)c1OC ZINC000028712873 IF Annotated Anodyne O=C(O)CCC(=O)N1CCC2(CCC(C(=O)N3CCC(C4CCNCC4)CC3)CC2)CC1 ZINC000028756068 IF Annotated Anodyne CCN1C(=O)c2c(ncn2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028756329 IF Annotated Anodyne CCN(CC)CCn1nc2c3c(c(NCCN4CCNCC4)ccc31)C(=O)c1ccccc1-2 ZINC000028758837 IF Annotated Clean CN1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)CC1 ZINC000028759639 IF Annotated Anodyne O=C1OC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)CN1CCc1ccccc1 ZINC000028760208 IF Annotated Anodyne O=C1OC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)CN1CCc1ccccc1 ZINC000028760210 IF Annotated Anodyne O=C1OC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)CN1CCc1ccccc1 ZINC000028760212 IF Annotated Anodyne O=C1OC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)CN1CCc1ccccc1 ZINC000028760214 IF Annotated Anodyne C/C(=N\OC[C@@H](O)CO)c1ccc(S(=O)(=O)c2cccc(C3CCOCC3)c2)cc1 ZINC000028760984 IF Annotated Mild C/C(=N\OC[C@H](O)CO)c1ccc(S(=O)(=O)c2cccc(C3CCOCC3)c2)cc1 ZINC000028760986 IF Annotated Mild Cc1cc2c(cc1Cl)N(C(=O)CN1CCN(C)CC1)c1ccccc1N(C)S2(=O)=O ZINC000028766878 IF Annotated Anodyne O=C(CCl)Nc1nc(Cc2nnc(S)n2NC(=O)c2ccc(Cl)cc2)cs1 ZINC000028815420 IF Annotated Reactive O=C(O)CCNc1nc(Cc2nnc(S)n2NC(=O)c2ccc(Cl)cc2)cs1 ZINC000028815430 IF Annotated Anodyne CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1 ZINC000028815482 IF Annotated Mild CC(C)CN1CC[C@@](C#N)(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCCC2)C1 ZINC000028817766 IF Annotated Mild N#C[C@@]1(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCCC2)CCN(C2CCCC2)C1 ZINC000028817768 IF Annotated Mild N#C[C@@]1(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCC2)CCN(C2CCCCC2)C1 ZINC000028817779 IF Annotated Mild CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CCC3)c3ccncc32)nc2ccccc21 ZINC000028820889 IF Annotated Anodyne CCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21 ZINC000028820891 IF Annotated Anodyne CCS(=O)(=O)CCCn1c(Cn2c(=O)n(C(F)F)c3ccncc32)nc2ccccc21 ZINC000028821039 IF Annotated Anodyne N[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccc(F)cc1 ZINC000028823761 IF Annotated Anodyne CN(c1cc2cc(n1)CCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O ZINC000028824420 IF Annotated Anodyne C[C@@H]1CN(C(=O)c2ccc3scnc3c2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826922 IF Annotated Anodyne C[C@H]1CN(C(=O)c2ccc3scnc3c2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826923 IF Annotated Anodyne COCCNC(=O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@H](c1ccccc1)O3 ZINC000028867335 IF Annotated Anodyne COCCNC(=O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@@H](c1ccccc1)O3 ZINC000028867339 IF Annotated Anodyne CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1c1ccccc1 ZINC000028867500 IF Annotated Bother O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCSCC3)c([N+](=O)[O-])cc2c1=O ZINC000028867985 IF Annotated Bother C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000028868003 IF Annotated Bother C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000028868006 IF Annotated Bother C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000028868010 IF Annotated Bother Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NNC(=O)c1ccc(CO[N+](=O)[O-])cc1)O2 ZINC000028876832 IF Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NNC(=O)c1ccc(CO[N+](=O)[O-])cc1)O2 ZINC000028876838 IF Annotated Reactive COc1cc2cncc([C@@H](C)c3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)c2cc1OC ZINC000028881933 IF Annotated Anodyne COc1cc2cncc([C@H](C)c3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)c2cc1OC ZINC000028881939 IF Annotated Anodyne C[C@@H]1CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)[C@H](C)CO1 ZINC000028883731 IF Annotated Mild Cc1ccc(S(=O)(=O)/N=C2\NC(=O)[C@@H](Cc3ccc(Br)o3)S2)cc1 ZINC000028888561 IF Annotated Mild Cc1ccc(S(=O)(=O)/N=C2\NC(=O)[C@H](Cc3ccc(Br)o3)S2)cc1 ZINC000028888566 IF Annotated Mild Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3ccc(-n4cncn4)cc3)S2)cc1 ZINC000028888747 IF Annotated Mild CS(=O)(=O)c1cccc(-c2cc(N3C[C@@H](N)[C@@H](c4cc(F)c(F)cc4F)C3)ncn2)c1 ZINC000028899867 IF Annotated Anodyne COc1ccc(Cc2nc(NC3=NC(=O)N(C)C3=O)sc2Cc2ccc(O)cc2)cc1 ZINC000028902200 IF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4snnc4C)n[nH]c2-3)C(=O)O1 ZINC000028949220 IF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cc(C)n(C)n4)n[nH]c2-3)C(=O)O1 ZINC000028949234 IF Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1 ZINC000028949266 IF Annotated Anodyne O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1)C(F)F ZINC000028949349 IF Annotated Anodyne COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CN(C)[C@@H]1C2 ZINC000028950364 IF Annotated Mild CC(C)CCn1c(Cn2c(=O)n(C)c3ccccc32)nc2cc(-c3nnn(C)n3)ccc21 ZINC000028952187 IF Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CC(=O)O)c3ccccc32)nc2cc(C(=N)N)ccc21 ZINC000028952224 IF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc(CN3CCC=C(CCC(=O)NO)C3=O)cc2)cc1 ZINC000028955351 IF Annotated Bother COc1ccc(CN([C@@H]2CCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000028957809 IF Annotated Anodyne CCCN1CCC2(CC1)NC(=O)N(Cc1cc3cnc(C#N)nc3n1CC(C)(C)C)C2=O ZINC000028958260 IF Annotated Mild CC[C@@H]1CCCNC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)CC[C@@H](C)CCC1 ZINC000028965827 IF Annotated Anodyne CC[C@H]1CCCNC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)CC[C@@H](C)CCC1 ZINC000028965831 IF Annotated Anodyne CC[C@@H]1CCCNC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)CC[C@H](C)CCC1 ZINC000028965837 IF Annotated Anodyne in-vitro CC[C@H]1CCCNC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)CC[C@H](C)CCC1 ZINC000028965843 IF Annotated Anodyne CC[C@H]1O[C@@H]2C[C@@H](C=C=CBr)O[C@@H]2C[C@@H](O)[C@H](O)C[C@@H]1Br ZINC000028965912 IF Annotated Reactive CC[C@@H](Br)[C@H]1C[C@H](O)[C@H](O)C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 ZINC000028965958 IF Annotated Reactive COCc1cccc(-c2ccc(C3=CCN(S(=O)(=O)CC(=O)NO)CC3)cc2C)c1 ZINC000028970129 IF Annotated Bother C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000028970186 IF Annotated Mild Nc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cccc2n1 ZINC000028971807 IF Annotated Anodyne Nc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc2n1 ZINC000028971817 IF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCC(COc2cccc3nc(N)nc(N)c23)CC1 ZINC000028971831 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCC(COc3cccc4nc(N)nc(N)c34)CC2)c1 ZINC000028971836 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cc1 ZINC000028971841 IF Annotated Anodyne Nc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)cccc2n1 ZINC000028971844 IF Annotated Anodyne Nc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)cccc2n1 ZINC000028971849 IF Annotated Anodyne CC[C@@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]12CO2 ZINC000028972671 IF Annotated Anodyne CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]12CO2 ZINC000028972676 IF Annotated Anodyne O=C1c2c(c(N3CCCS3(=O)=O)c3cccnc3c2O)CN1Cc1ccc(F)cc1 ZINC000028979481 IF Annotated Anodyne Cc1ccc(Oc2ccc(N(C[C@H](NCC(C)C)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029039713 IF Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)NCC(=O)N(C)C)C1 ZINC000029044071 IF Annotated Anodyne COc1cc2c(=O)n(CCn3ccnc3)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 ZINC000029044999 IF Annotated Bother CC(=O)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(C#N)n3)cc2)CC1 ZINC000029052033 IF Annotated Mild CCNC(=O)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)OCC)c(C(=O)OCC)c21 ZINC000029059880 IF Annotated Anodyne CC(=O)O[C@@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)NCCc3cccc4ccccc34)[C@H]12 ZINC000029063321 IF Annotated Mild CC(=O)O[C@@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)NCCc3ccc4ccccc4c3)[C@H]12 ZINC000029063325 IF Annotated Mild COc1c(N2C[C@H](C)O[C@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123109 IF Annotated Bother COc1c(N2C[C@H](C)O[C@@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123110 IF Annotated Bother COc1c(N2C[C@@H](C)O[C@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123111 IF Annotated Bother CN(C(=O)NC1CCN(c2ccc(F)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126463 IF Annotated Anodyne N/N=C(\N)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CO2 ZINC000029126538 IF Annotated Mild COc1ccc(-c2cn(C(C)=O)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000029131454 IF Annotated Bother CC(=O)NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c3c2ncn2nc(C)nc32)cc1 ZINC000029132274 IF Annotated Anodyne COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N\NC1=NCCN1 ZINC000029133384 IF Annotated Mild COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@]23F)OCO4)cc(OC)c1OC ZINC000029220444 IF Annotated Anodyne Cc1cc(C)c(S(=O)(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)c(C)c1 ZINC000029247461 IF Annotated Mild CC(C)=C(C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1S(C)(=O)=O ZINC000029254301 IF Annotated Bother CC(C)=C(C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)[C@H]1S(C)(=O)=O ZINC000029254308 IF Annotated Bother O=C(c1cccc(OCCCNC2=NS(=O)(=O)c3cscc32)c1)N1CCCCC1 ZINC000029254583 IF Annotated Anodyne COCO[C@@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1 ZINC000029331471 IF Annotated Anodyne CCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C ZINC000029332369 IF Annotated Anodyne COC1=C(Br)C(=O)c2c(c(COC(C)=O)c3n2CCC[C@H]3OC(C)=O)C1=O ZINC000029337795 IF Annotated Mild COC1=C(Br)C(=O)c2c(c(COC(C)=O)c3n2CCC[C@@H]3OC(C)=O)C1=O ZINC000029337798 IF Annotated Mild CN1CCN(C)C1c1ccc(N2CCN(c3ccc(C4N(C)CCN4C)cc3)CC2)cc1 ZINC000029345075 IF Annotated Clean CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN=C(N)N)c2)c(Cl)c1Cl ZINC000029346165 IF Annotated Mild Cc1nn(C)c(N(C)C(=O)CNCCCN2CCCC[C@H]2C)c1C(=O)c1ccccc1F ZINC000029391932 IF Annotated Anodyne Cc1nn(C)c(N(C)C(=O)CNCCCN2CCCC[C@@H]2C)c1C(=O)c1ccccc1F ZINC000029391935 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])N[C@H](CNC(C)C)CC3)cc1 ZINC000029394168 IF Annotated Mild Cc1ccc(S(=O)(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])N[C@@H](CNC(C)C)CC3)cc1 ZINC000029394171 IF Annotated Mild CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@H]1C1(CC=CC1)C(=O)N2C(=O)C1CC1 ZINC000029394809 IF Annotated Anodyne Cc1nn(C)c(NC(=O)CNCCCN2CCC(C)CC2)c1C(=O)c1ccccc1F ZINC000029395954 IF Annotated Anodyne CN1CCN(c2c(F)c(-n3cccc3)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 ZINC000029399358 IF Annotated Anodyne CN1CCN(c2c(F)c(Br)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 ZINC000029401692 IF Annotated Anodyne CN(CCCn1c(N)nc2cc(C#N)ccc21)CCCn1c(N)nc2cc(C#N)ccc21 ZINC000029403995 IF Annotated Mild COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCCO5)CC3)OC2=O)cc1 ZINC000029412201 IF Annotated Anodyne CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)CC2)cc1 ZINC000029455842 IF Annotated Anodyne c1cc2[nH]c(CCc3nc4cc(C5=NCCCN5)ccc4[nH]3)nc2cc1C1=NCCCN1 ZINC000029465904 IF Annotated Anodyne C[C@@H](O)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029470249 IF Annotated Anodyne C[C@H](O)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029470253 IF Annotated Anodyne COCC(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029470323 IF Annotated Anodyne O=C(O)CCN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)CSc2ccccc21 ZINC000029474144 IF Annotated Mild CC(=O)OCC(=O)O/C(=C1\C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029477333 IF Annotated Anodyne C[C@@H](N)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029480041 IF Annotated Anodyne NC(=O)[C@@H](CO)N(Cc1ccc(Br)cc1)Cc1cc(-c2ccccc2)on1 ZINC000029563335 IF Annotated Anodyne NC(=O)[C@H](CO)N(Cc1ccc(Br)cc1)Cc1cc(-c2ccccc2)on1 ZINC000029563338 IF Annotated Anodyne COc1c(OC)c(OC)c2c(c1OC)C(=O)c1c(OC)c(OC)c(OC)c(OC)c1C2=O ZINC000029563442 IF Annotated Clean Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@@H](CCCN=C(N)N)C(N)=O)no2)cc1 ZINC000029564322 IF Annotated Mild Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@H](CCCN=C(N)N)C(N)=O)no2)cc1 ZINC000029564326 IF Annotated Mild O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1 ZINC000029565643 IF Annotated Reactive O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1 ZINC000029565647 IF Annotated Reactive Cc1c(N2C[C@@H](C(F)(F)F)[C@H](CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000029566030 IF Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)OC[C@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@@H]13 ZINC000299807436 IF Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@H](O)[C@H](CNCc4ccc(F)cc4)C3)c2n1 ZINC000299807847 IF Annotated Anodyne CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)O ZINC000299808604 IF Annotated Reactive CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000299808605 IF Annotated Reactive CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1 ZINC000299810888 IF Annotated Anodyne CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2N(S(=O)(=O)c2cn(C)cn2)C3)cc1 ZINC000299812454 IF Annotated Anodyne CCOC(=O)[C@]1(C)C(N=Nc2ccc(S(N)(=O)=O)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000299813273 IF Annotated Clean CCOC(=O)[C@@]1(C)C(N=Nc2ccc(S(N)(=O)=O)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000299813274 IF Annotated Clean CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@H]2COC[C@@H]2O)nn1 ZINC000299813907 IF Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000299813908 IF Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@H]2COC[C@H]2O)nn1 ZINC000299813909 IF Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000299813910 IF Annotated Mild COc1cc2c(cc1OC)[C@@H]1CN3C(=O)CC[C@@H]3[C@H](O)[C@H]1c1cc(OC)c(OC)cc1-2 ZINC000299814493 IF Annotated Anodyne Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)C)c(=O)nc1O ZINC000299814542 IF Annotated Reactive Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2OC(C)C)c(=O)nc1O ZINC000299814543 IF Annotated Reactive Cc1cn([C@@H]2C[C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2OC(C)C)c(=O)nc1O ZINC000299814544 IF Annotated Reactive CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc(C(=O)c3ccccc3)cc2)nc1O ZINC000299814776 IF Annotated Anodyne COc1ccc2ncc(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(C)n4)C3(C)C)n2n1 ZINC000299814964 IF Annotated Mild COc1ccn2c(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(C)n4)C3(C)C)cnc2n1 ZINC000299816232 IF Annotated Mild N#Cc1cc(N2CCN(CC[C@@H]3CC[C@@H](NC(=O)CN)CC3)CC2)cc(C(F)(F)F)c1 ZINC000299818971 IF Annotated Mild CC(=O)O[C@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]([C@H]2COC(C)(C)O2)O[P@@]1(=O)c1ccccc1 ZINC000299820685 IF Annotated Anodyne CCN1C(=O)[C@@H]2[C@H](c3ccc(-c4c(C)noc4C)cc3)N(CC)[C@@](C)(C(=O)O)[C@@H]2C1=O ZINC000299821572 IF Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4c(C)noc4C)cc3)N(CC)[C@@](C)(C(=O)O)[C@@H]2C1=O ZINC000299821577 IF Annotated Anodyne CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)O)N(CC)[C@H]2c1ccc(-c2c(C)noc2C)cc1 ZINC000299821581 IF Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4c(C)noc4C)cc3)N(CC)[C@@](C)(C(=O)O)[C@H]2C1=O ZINC000299821586 IF Annotated Anodyne COc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCCC1 ZINC000299821900 IF Annotated Anodyne COC(=O)c1cccc(S(=O)(=O)Nc2nccnc2Nc2cc(OC)ccc2OC)c1 ZINC000299822877 IF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCl ZINC000299823086 IF Annotated Reactive COc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccccc4)CC3)c2c1 ZINC000299823283 IF Annotated Anodyne CCOC(=O)Cn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(F)cc2)nn1 ZINC000299823430 IF Annotated Mild N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299823493 IF Annotated Mild CN1CCN(C(=O)c2ccc(-c3ccc4nc(C(=O)NCc5ccco5)cn4c3)cc2)CC1 ZINC000299823555 IF Annotated Anodyne C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)cc2c1ncn2[C@@H](C)S(C)(=O)=O ZINC000299823705 IF Annotated Anodyne COC(=O)c1c(C(=O)OC)c2cc(N(C)C)ccn2c1C(=O)c1ccc(OC)c(OC)c1 ZINC000299823737 IF Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCN(c4ccccc4F)CC3)[C@@H]2C[C@H]1O ZINC000299824022 IF Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCN(c4ccccc4)CC3)[C@@H]2C[C@H]1O ZINC000299824388 IF Annotated Anodyne COc1cc(Nc2nc3n(n2)C[C@@H](O)CN3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299825210 IF Annotated Anodyne COc1cc(Nc2nc3n(n2)C[C@H](O)CN3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299825212 IF Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCCCCO)c2ncccc2c1 ZINC000299825935 IF Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCCCCO)c2ncccc2c1 ZINC000299825937 IF Annotated Reactive CC(C)NC(=O)c1cccc2c1NC(=O)[C@H](C(C)(C)C(=O)NCc1ccccc1)C(=O)N2 ZINC000299826151 IF Annotated Anodyne CC(C)NC(=O)c1cccc2c1NC(=O)[C@@H](C(C)(C)C(=O)NCc1ccccc1)C(=O)N2 ZINC000299826156 IF Annotated Anodyne O=c1ccc2ncc(F)cc2n1CCN1CCC(NC(=S)NCc2ccccc2)CC1 ZINC000299826667 IF Annotated Anodyne CC(=O)N(Cc1ccco1)C(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000299827312 IF Annotated Anodyne O=C1OCC2=C1[C@@H](c1cccc(Br)c1)c1cc3c(cc1N2CCO)OCCO3 ZINC000299827818 IF Annotated Anodyne O=C1OCC2=C1[C@H](c1cccc(Br)c1)c1cc3c(cc1N2CCO)OCCO3 ZINC000299827819 IF Annotated Anodyne CCOC(=O)Cn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2cccc(OC)c2)nn1 ZINC000299828315 IF Annotated Mild N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2n2nnnc12 ZINC000299828853 IF Annotated Reactive N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2n2nnnc12 ZINC000299828857 IF Annotated Reactive CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)[C@](CS(C)(=O)=O)(c2ccccc2)S1 ZINC000299829853 IF Annotated Anodyne CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)[C@@](CS(C)(=O)=O)(c2ccccc2)S1 ZINC000299829855 IF Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCNCC2)c1/C=N/Nc1nc2ccccc2nc1O ZINC000299833459 IF Annotated Mild O=c1ccc2ncc(F)cc2n1CCN1CCC(NC(=S)Nc2ccccc2)CC1 ZINC000299833670 IF Annotated Anodyne O=C(Cn1nc(Cc2cccs2)n(/N=C/c2ccccc2)c1=O)N/N=C/c1ccccc1 ZINC000299833791 IF Annotated Reactive COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1nnc(Br)s1 ZINC000299833896 IF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2cccc3c2OCCO3)cc1 ZINC000299835340 IF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000299835342 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1 ZINC000299835637 IF Annotated Mild COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2)ccc1-n1cnc(C)n1 ZINC000299835892 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)c2ccc(C)nc2c1OC ZINC000299836123 IF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000299836697 IF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000299836698 IF Annotated Anodyne CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N2CCC2)c2ncccc23)CC1 ZINC000299837819 IF Annotated Anodyne C/C=C/C(=O)NC/C=C/c1cc(OCCCN2CCOCC2)cc(O)c1C(=O)OC(C)C ZINC000299839191 IF Annotated Anodyne CN1C(=O)C([C@@H]2C3=C(CCCC3=O)Oc3ccc(Br)cc32)C(=O)N(C)C1=O ZINC000299841259 IF Annotated Mild CN1C(=O)C([C@H]2C3=C(CCCC3=O)Oc3ccc(Br)cc32)C(=O)N(C)C1=O ZINC000299841260 IF Annotated Mild CN1CCN(c2ccc(-c3nc(N(C)C)c4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1 ZINC000299841328 IF Annotated Anodyne COC(=O)[C@@]12CO[C@@H](C(C)(C)C)N1C(=O)/C(=C(\C)NC[C@H]1CC[C@H]3C[C@H]1C3(C)C)C2=O ZINC000299846739 IF Annotated Mild COC(=O)[C@@]12CO[C@@H](C(C)(C)C)N1C(=O)/C(=C(\C)NC[C@@H]1CC[C@H]3C[C@H]1C3(C)C)C2=O ZINC000299846740 IF Annotated Mild CO[C@@H]1OC2=CC[C@@H]3C(=O)NC(=O)[C@@H]3[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000299847559 IF Annotated Anodyne CO[C@@H]1OC2=CC[C@@H]3C(=O)NC(=O)[C@H]3[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000299847560 IF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@H](CC(C)C)C(=O)OC)CN1C ZINC000299847906 IF Annotated Anodyne CC(=O)O[C@H]1CC[C@@]23C(=O)O[C@]45CC[C@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@H]2[C@H]5CC[C@]3(O)C1 ZINC000299848556 IF Annotated Anodyne C[C@H]1CC[C@@H]2[C@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@H](N3CCCCC3)[C@]12O ZINC000299848903 IF Annotated Anodyne C[C@H]1CC[C@@H]2[C@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@@H](N3CCCCC3)[C@]12O ZINC000299848905 IF Annotated Anodyne C[C@]12C(=O)N(CCN[C@H](c3ccccc3)[C@@H](O)c3ccccc3)C(=O)[C@@]1(C)[C@H]1CC[C@H]2O1 ZINC000299849250 IF Annotated Anodyne C[C@]12C(=O)N(CCN[C@H](c3ccccc3)[C@@H](O)c3ccccc3)C(=O)[C@]1(C)[C@H]1CC[C@H]2O1 ZINC000299849252 IF Annotated Anodyne C[C@]12C(=O)N(CCN[C@H](c3ccccc3)[C@H](O)c3ccccc3)C(=O)[C@]1(C)[C@H]1CC[C@H]2O1 ZINC000299849254 IF Annotated Anodyne C[C@]12C(=O)N(CCN[C@H](c3ccccc3)[C@H](O)c3ccccc3)C(=O)[C@@]1(C)[C@H]1CC[C@H]2O1 ZINC000299849256 IF Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000299849372 IF Annotated Clean COc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000299849616 IF Annotated Bother COc1cc([C@@H]2[C@H]([N+](=O)[O-])[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000299849619 IF Annotated Bother NC(=S)n1[nH]c(-c2ccccc2)c(N=Nc2ccccc2C(=O)N2CCOCC2)c1=O ZINC000299849737 IF Annotated Clean Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC(CCc3ccccc3)CC2)c(=O)c1=O ZINC000299850657 IF Annotated Anodyne O=C1NC2(C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc12 ZINC000299850931 IF Annotated Bother O=C1NC(=O)C2(c3ccccc3-c3ccccc32)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299851867 IF Annotated Bother O=C(c1nc2sc3ccccc3n2c1Cl)N1CCN([C@@H]2CC[C@@H](O)CC2)C(=O)C1 ZINC000299852028 IF Annotated Anodyne O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO ZINC000299852961 IF Annotated Bother O=C1c2ccc(O)cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1 ZINC000299853851 IF Annotated Clean C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2cccc(Br)c2)c1=O ZINC000299855052 IF Annotated Mild O=C1c2c(O)cccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1 ZINC000299855556 IF Annotated Clean C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2ccccc2C(F)(F)F)c1=O ZINC000299855774 IF Annotated Mild Cc1cc(Br)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3)c2=O)c1 ZINC000299856077 IF Annotated Anodyne COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)cc1OC ZINC000299857265 IF Annotated Mild Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2cc(Cl)ccc2Cl)c1=O ZINC000299857297 IF Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(C[C@H](O)C(C)(C)OC)cc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000299857546 IF Annotated Mild C=CC(C)(C)c1[nH]c2ccc(C[C@H](O)C(C)(C)OC)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000299858068 IF Annotated Mild C=CC(C)(C)c1[nH]c2c(C[C@H](O)C(C)(C)OC)cccc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000299858369 IF Annotated Mild CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(-c3noc(=O)[nH]3)cc12 ZINC000299858434 IF Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)c2c(O)nc(O)nc2Nc2[nH]nc(-c3ccccc3)c21 ZINC000299858888 IF Annotated Anodyne COc1ccc2c(c1)[C@@]1(C(=O)N2)c2c(O)nc(O)nc2Nc2[nH]nc(-c3ccccc3)c21 ZINC000299858889 IF Annotated Anodyne CSCC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299859114 IF Annotated Bother CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O[C@H]1OC)[C@H]1O[C@H]1C(=O)[C@H]1O[C@H]12 ZINC000299860060 IF Annotated Anodyne O=C1c2cccc(O)c2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1 ZINC000299861419 IF Annotated Clean COc1ccc(-c2noc3nc(C)n(-c4ccc(N5CCOCC5=O)cc4)c(=O)c23)cc1 ZINC000299861584 IF Annotated Anodyne COc1ccc(OC)c(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c1 ZINC000299862744 IF Annotated Mild CCc1nc2onc(-c3ccc(OC)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 ZINC000299863518 IF Annotated Anodyne COn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2ccc(Cl)cc21 ZINC000299865893 IF Annotated Anodyne O=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)C(=O)N1 ZINC000299866634 IF Annotated Anodyne Cc1nc2onc(-c3ccc([N+](=O)[O-])cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 ZINC000299867156 IF Annotated Bother CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3SC[C@@H]12 ZINC000299867535 IF Annotated Anodyne O=C1Nc2ccc([N+](=O)[O-])cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299868141 IF Annotated Bother O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299868142 IF Annotated Bother COn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(Cl)ccc21 ZINC000299868556 IF Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCNc1cc(O)nc2c([N+](=O)[O-])cccc12 ZINC000299869045 IF Annotated Bother Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cnn4ccc(C(F)(F)F)cc24)C3=O)cn1 ZINC000299869859 IF Annotated Anodyne C/C(=N/NC(=O)/C(C#N)=C/N(C)C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000299869876 IF Annotated Reactive Cc1ccc(S(=O)(=O)NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000299870971 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000299870972 IF Annotated Anodyne COC(=O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1C#N)[C@@H]23 ZINC000299871589 IF Annotated Mild COC(=O)C/C=C/[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1C#N)[C@@H]23 ZINC000299871590 IF Annotated Mild COC(=O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C#N)cc1)[C@@H]23 ZINC000299872064 IF Annotated Mild CC(=O)O[C@H]1CC[C@@]23C(=O)O[C@]45CC[C@@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@@H]2[C@@H]5CC[C@@]3(O)C1 ZINC000299872646 IF Annotated Anodyne in-vitro CC(=O)O[C@H]1CC[C@@]23C(=O)O[C@]45CC[C@@H](C6=CC(=O)OC6)[C@]4(C)CC[C@@H]2[C@@H]5CC[C@@]3(O)C1 ZINC000299872647 IF Annotated Anodyne in-vitro CC(=O)O[C@@H]1CC[C@@]23C(=O)O[C@]45CC[C@@H](C6=CC(=O)OC6)[C@]4(C)CC[C@@H]2[C@@H]5CC[C@@]3(O)C1 ZINC000299872648 IF Annotated Anodyne in-vitro CC(=O)O[C@@H]1CC[C@@]23C(=O)O[C@]45CC[C@@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@@H]2[C@@H]5CC[C@@]3(O)C1 ZINC000299872649 IF Annotated Anodyne in-vitro CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2cccnc2SC)C1 ZINC000299873946 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2SC)C1 ZINC000299873947 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2cccnc2SC)C1 ZINC000299873948 IF Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000299874080 IF Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000299874081 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)c1 ZINC000299874695 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)c3ccco3)C2)c1 ZINC000299874696 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)c3ccco3)C2)c1 ZINC000299874697 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000299875069 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000299875070 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299875133 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299875134 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299875271 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299875272 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000299875282 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000299875283 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000299875284 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000299875285 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299875592 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299875593 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299875884 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299875885 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299875886 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299875887 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299875984 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299875985 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299876340 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299876341 IF Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCN(C(=O)c6ccoc6)CC5)[C@H]4C[C@]13O2 ZINC000299878451 IF Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCN(C(=O)c6ccoc6)CC5)[C@H]4C[C@@]13O2 ZINC000299878452 IF Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000299878728 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299878879 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299878880 IF 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]1O ZINC000299879348 IF 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]1O ZINC000299879349 IF 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]1O ZINC000299879350 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299879918 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299879919 IF Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000299880036 IF Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000299880037 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000299880140 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000299880141 IF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)C1 ZINC000299880171 IF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)C1 ZINC000299880172 IF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccco1 ZINC000299880352 IF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccco1 ZINC000299880353 IF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccco1 ZINC000299880354 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299880439 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299880440 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299881954 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299881955 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299881985 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299881986 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2SC)C1 ZINC000299882308 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2cccnc2SC)C1 ZINC000299882309 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2cccnc2SC)C1 ZINC000299882310 IF Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000299883577 IF Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000299883578 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000299884209 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000299884210 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccco2)C1 ZINC000299884441 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccco2)C1 ZINC000299884442 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299884890 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299884891 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000299884936 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)Cc2ccccc2OC)C1 ZINC000299886034 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)Cc2ccccc2OC)C1 ZINC000299886035 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccccc2OC)C1 ZINC000299886036 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299886241 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299886242 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299886243 IF Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299887562 IF Annotated Anodyne N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC(=O)N2CCOCC2)cc1 ZINC000003014095 IF Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC(=O)N2CCOCC2)cc1 ZINC000003014097 IF Annotated Reactive Cc1cc(N2C(=O)c3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3C2=O)no1 ZINC000003014994 IF Annotated Anodyne CCOC(=O)c1sc2nc(SCC#N)n(CCCN3CCCC3=O)c(=O)c2c1C ZINC000003018393 IF Annotated Mild CCNc1nc(NCC)n2c(SCC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)nnc2n1 ZINC000003291298 IF Annotated Clean CCc1ccc(Nc2nnc(SCC(=O)NCCN3C(=O)CSC3=O)s2)cc1 ZINC000003322718 IF Annotated Anodyne COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2oc3ccccc3c2C)c(=O)[nH]c1=O ZINC000003345953 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)cc1 ZINC000003399260 IF Annotated Anodyne CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000003411470 IF Annotated Anodyne COc1cc(C(=O)N[C@H](C(=O)Nc2nnc(C3CC3)s2)C(C)C)cc(OC)c1OC ZINC000003417109 IF Annotated Anodyne CC1(C)O[C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@H]2O1 ZINC000301055176 IF Annotated Reactive CC1(C)S[C@@H]2[C@H](/N=C(\O)[C@H](/N=C\c3ccco3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O ZINC000030691003 IF Annotated Mild in-man COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(/C)C(=O)O)OC2=O)[C@@]3(C(=O)OC)CC1 ZINC000306147338 IF Annotated Anodyne COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@]3(C(=O)OC)CC1 ZINC000306147339 IF Annotated Anodyne COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@@]3(C(=O)OC)CC1 ZINC000306147340 IF Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)NCCO[S@@](C)(=O)=S)cc2)cc1 ZINC000306147426 IF Annotated Clean CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)NCCO[S@](C)(=O)=S)cc2)cc1 ZINC000306147427 IF Annotated Clean CC1(C)C=Cc2c(ccc3c2NC(=O)[C@]32C[C@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@@H]4C2(C)C)O1 ZINC000031165668 IF Annotated Anodyne CN(C)CCCNc1ccc(NCCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000031430846 IF Annotated Clean COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000031502513 IF Annotated Mild in-vitro biogenic COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(O)c1 ZINC000031542586 IF Annotated Reactive in-vitro biogenic CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C[C@H]3[C@@](C)(C=O)[C@@H](OC(C)=O)CC[C@]23C)[C@H]1C ZINC000031720599 IF Annotated Mild CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@H]12 ZINC000031795926 IF Annotated Bother CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@H]12 ZINC000031795931 IF Annotated Bother C=CC[C@]12C=C(OC)[C@@H](O)[C@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2OC(C)=O ZINC000031852324 IF Annotated Mild CCOC(=O)[C@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000031870669 IF Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000031870670 IF Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000031870671 IF Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000031870672 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@H]3S[C@@]21[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000031904803 IF Annotated Anodyne O=C(O)CCC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O ZINC000031905066 IF Annotated Bother COc1cc2c(cc1OC)[C@H]1[C@H](O)[C@@H]3CCC(=O)N3C[C@H]1c1cc(OC)c(OC)cc1-2 ZINC000031907987 IF Annotated Anodyne COc1cc2c(cc1OC)[C@H]1CN3C(=O)CC[C@H]3[C@@H](O)[C@@H]1c1cc(OC)c(OC)cc1-2 ZINC000031907990 IF Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@H](O)[C@H]3CCC(=O)N3C[C@H]1c1cc(OC)c(OC)cc1-2 ZINC000031907994 IF Annotated Anodyne COc1cc2c(cc1OC)[C@H]1CN3C(=O)CC[C@@H]3[C@@H](O)[C@@H]1c1cc(OC)c(OC)cc1-2 ZINC000031907998 IF Annotated Anodyne C[C@@H]1[C@@H]2[C@@H](CN)[C@@H]2CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000032050590 IF Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cnc[nH]3)ccc(F)c12 ZINC000032086719 IF Annotated Anodyne COC(=O)[C@H]1[C@@H]2CON=C2c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000032091357 IF Annotated Anodyne CC(=O)O[C@H]1/C(C)=C\C[C@H]2[C@](C)(CC/C(C)=C3/OC(=O)C[C@@H]31)OC(=O)C(=O)[C@]2(O)C(C)C ZINC000032296549 IF Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)c(Cl)c1)[C@H]1CCCN1C21C(=O)c2ccccc2C1=O ZINC000033333566 IF Annotated Clean C=c1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)/c1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000033399467 IF Annotated Bother O=C1CCC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2CO1 ZINC000033413084 IF Annotated Anodyne O=C1CCC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2CO1 ZINC000033413085 IF Annotated Anodyne CCC(=O)OC[C@H]1O[C@@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000033505301 IF Annotated Anodyne Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccoc2)c1CSc1ccc(Cl)cc1 ZINC000033516800 IF Annotated Reactive O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nccs3)ccnc12 ZINC000033820018 IF Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccccn3)ccnc12 ZINC000033820025 IF Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000033833008 IF Annotated Mild in-vitro biogenic COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(O)c1 ZINC000033833049 IF Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(O)c1 ZINC000033833050 IF Annotated Reactive in-man C[C@@H]1C=C[C@](Cc2ccccc2)(C(=O)NCCN2CCOCC2)N1C(=O)c1ccccc1 ZINC000033913750 IF Annotated Anodyne O=[N+]([O-])c1cccc(/C=N\Nc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000033921163 IF Annotated Mild CO[C@@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000033943472 IF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000033943476 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C/[C@@H](C)COC(=O)C/C=C/[C@@H]2C)cc1 ZINC000033943494 IF Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000033970643 IF Annotated Reactive in-man CC(C)C1=C2[C@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000033970644 IF Annotated Reactive in-man CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000033970645 IF Annotated Reactive in-man CC(C)C1=C2[C@H]3CC=C(C=O)[C@@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000033970646 IF Annotated Reactive in-man Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1C[C@H](O)CN ZINC000033989793 IF Annotated Anodyne Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1C[C@@H](O)CN ZINC000033989794 IF Annotated Anodyne C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]2O ZINC000034012397 IF Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC ZINC000034012776 IF Annotated Mild COc1ccccc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCCC1)C(C)(C)C ZINC000034047317 IF Annotated Bother CC(C)n1c(C(=O)N(C)C)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2 ZINC000034086839 IF Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000034127184 IF Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000034127185 IF Annotated Anodyne C[C@H]1COC(=O)CCCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000034128753 IF Annotated Anodyne O=C1[C@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1C1CCCCC1 ZINC000034148654 IF Annotated Mild Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C/[C@@H](C)COC(=O)C/C=C\[C@@H]2C)cc1 ZINC000034148752 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C\[C@@H](C)COC(=O)C/C=C/[C@@H]2C)cc1 ZINC000034148754 IF Annotated Anodyne O=C1[C@H]2[C@@H]3[C@H](CC[C@H]2C(=O)N1C1CCCCC1)/C(=N\OCc1ccccc1)C[C@@H](O)[C@H]3O ZINC000034148795 IF Annotated Mild O=C1[C@H]2[C@@H]3[C@H](CC[C@H]2C(=O)N1C1CCCCC1)/C(=N/OCc1ccccc1)C[C@@H](O)[C@H]3O ZINC000034148797 IF Annotated Mild C=CCc1ccc(OCC(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000034267810 IF Annotated Mild C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4CF)C[C@@H]1CNC1CC1 ZINC000034323961 IF Annotated Anodyne CCN(NC(=O)CC(=O)NN(CC)C(=S)c1ccccc1)C(=S)c1ccccc1 ZINC000034351453 IF Annotated Reactive CCC(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)c1ccccc1 ZINC000034391686 IF Annotated Reactive N=C(N)c1c(F)cc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1F ZINC000034480135 IF Annotated Anodyne COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H](CO)[C@@H]2CO)cc(OC)c1OC ZINC000034509321 IF Annotated Anodyne O=C(O)c1cc2cc(I)cc(I)c2oc1=O ZINC000034540522 IF Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@]2(C)C=C(c3ccoc3)O[C@@H]3C[C@H](O)[C@]4(CO4)[C@](C)([C@H]1OC(C)=O)[C@H]32 ZINC000034585660 IF Annotated Anodyne in-vitro biogenic CCC(C)(CC)OC(=O)CCNC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1 ZINC000034630864 IF Annotated Anodyne CCC(C)(CC)OC(=O)CCNC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 ZINC000034630865 IF Annotated Anodyne CCCC[C@H](O)CCC(=O)O[C@H]1[C@H](C)O[C@]2(C)[C@@H](OC(C)=O)[C@@H](C)C(=O)O[C@H]2[C@@H]1C ZINC000034636491 IF Annotated Anodyne C=CC/C=C\Cc1csc(C(C)(C)[C@H](O)C/C=C/[C@](O)(CO)CCNC(=O)OC)n1 ZINC000034642679 IF Annotated Mild C=CC/C=C\Cc1csc(C(C)(C)[C@H](O)C/C=C/[C@@](O)(CO)CCNC(=O)OC)n1 ZINC000034642680 IF Annotated Mild CNC(=S)N(C)CCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12 ZINC000034644434 IF Annotated Clean C=CC/C=C/Cc1csc(C(C)(C)[C@H](O)C/C=C/[C@@](O)(CO)CCNC(=O)OC)n1 ZINC000034773628 IF Annotated Mild CN1C(=O)[C@@H]2CN(c3ccc(F)cn3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N ZINC000034788555 IF Annotated Mild CCCCCCCC[C@@H](C(=O)N[C@H]1CCCCN(CCOC)C1=O)[C@@H](C)C(=O)NO ZINC000034801754 IF Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000034809424 IF Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ncco3)ncc(F)c12 ZINC000034820830 IF Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cnco3)ncc(F)c12 ZINC000034820840 IF Annotated Anodyne C=CC(C)(C)[C@@]12C[C@]3(O)C(=O)O[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000034842884 IF Annotated Mild C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)CCN1 ZINC000034849792 IF Annotated Mild O=c1c(/C(O)=N/C[C@@H]2CCCO2)c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc12 ZINC000034860464 IF Annotated Mild O=c1c(/C(O)=N/C[C@H]2CCCO2)c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc12 ZINC000034860467 IF Annotated Mild CCCCNC(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC ZINC000034963520 IF Annotated Mild O=C(O)c1nc(-c2sccc2NS(=O)(=O)c2ccc3ccccc3c2)[nH]c(=O)c1O ZINC000003582757 IF Annotated Anodyne COc1ccc(Cl)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000003591434 IF Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(F)c(F)c(F)c(F)c12 ZINC000003591447 IF Annotated Anodyne Cc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000003615555 IF Annotated Anodyne Cc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000003615558 IF Annotated Anodyne Cc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000003615560 IF Annotated Anodyne Cc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000003615562 IF Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000003641398 IF Annotated Reactive Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000003641399 IF Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000003641400 IF Annotated Reactive Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000003641402 IF Annotated Reactive O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nnco3)ccc(F)c12 ZINC000003648810 IF Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ncon3)ccc(F)c12 ZINC000003648835 IF Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@H]1C1(CC=CC1)C(=O)N2C(=O)C1CC1 ZINC000003649682 IF Annotated Anodyne C=C(C)C(=O)N1C(=O)C2(CCC2)[C@@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000003649686 IF Annotated Mild CCOc1ccc(-n2cc(C(=O)NCCN(C)C)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660470 IF Annotated Anodyne COc1ccccc1CNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000003662148 IF Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3nonc23)CC1 ZINC000003665122 IF Annotated Anodyne Cc1cc(Br)ccc1NC(=O)CCNS(=O)(=O)c1cccc2nonc12 ZINC000003665271 IF Annotated Anodyne CCOC(=O)[C@@]1(C)C(/N=N\c2ccc(S(N)(=O)=O)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000003671177 IF Annotated Clean CCOC(=O)[C@]1(C)C(/N=N\c2ccc(S(N)(=O)=O)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000003671179 IF Annotated Clean COc1cc2nc3c(nc2cc1C(=O)O)c(C(=O)NCCN(C)C)c(O)c1ccccc13 ZINC000003777806 IF Annotated Clean investigational COC(=O)CN(C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1 ZINC000003778309 IF Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C1 ZINC000003782330 IF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCn2nnn(CC)c2=O)CC1 ZINC000003786888 IF Annotated Anodyne CO[C@@H]1NC(=O)c2cc(O)c3c(c21)O[C@]1(C3)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C ZINC000003809584 IF Annotated Anodyne Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)N(CCC2CCCC2)CC(=O)NO)sc1C ZINC000003817699 IF Annotated Anodyne O=C1N[C@@H](CS)C(=O)N(Cc2ccc3ccccc3n2)[C@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000003821462 IF Annotated Mild COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCCC(=S)N1 ZINC000003823774 IF Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)OCCCCC(=O)N[C@H](c1nc(C)no1)CSC2 ZINC000003823776 IF Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@](C)(O)[C@](C)(O)C2 ZINC000003825655 IF Annotated Anodyne in-vitro biogenic COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@]2(C)C[C@H]1OC(C)=O ZINC000003875294 IF Annotated Mild COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@]2(C)C[C@@H]1OC(C)=O ZINC000003875295 IF Annotated Mild COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@@H]1OC(C)=O ZINC000003875296 IF Annotated Mild CC[C@@H]1CCC[C@H](C)CC[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](N)[C@H]2O)[C@H](CC)CCCNC1=O ZINC000003920026 IF Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(cc(OC)c(OC)c2OC)C[C@H]1CO ZINC000035034256 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@@H](C[C@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000035086298 IF Annotated Anodyne CCOC(=O)c1c(SC)nn2c(=O)n(-c3ccc(Cl)c(C(F)(F)F)c3)nnc12 ZINC000035245073 IF Annotated Anodyne CCOC(=O)c1c(SC)nn2c(=O)n(-c3cc(C(F)(F)F)ccc3Cl)nnc12 ZINC000035245089 IF Annotated Anodyne CC1(C)C=Cc2c(ccc3c2NC(=O)[C@]32C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@@H]4C2(C)C)O1 ZINC000035270983 IF Annotated Anodyne O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc(CCC(=O)O)cc2)C=C1 ZINC000035323452 IF Annotated Mild C=CC(C)(C)[C@@]12Nc3c(ccc4c3C=CC(C)(C)O4)[C@]1(O)C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 ZINC000035331277 IF Annotated Mild CC1(C)C=Cc2c(ccc3c2NC(=O)[C@@]32C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 ZINC000035331378 IF Annotated Anodyne Cc1ccc(C(=O)Nc2ccon2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O ZINC000035801511 IF Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN(C)C)cn1 ZINC000035861515 IF Annotated Anodyne CC(C)CCN1C(=O)[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)[C@@H]1Cc1ccccc1 ZINC000035934311 IF Annotated Anodyne Cc1noc(C)c1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1 ZINC000035970330 IF Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1cccc(S(N)(=O)=O)c1 ZINC000035970402 IF Annotated Mild C=C1C[C@]2(O)[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@H](C)C(=O)[C@@]12C ZINC000035997869 IF Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)NC(=O)OCC)[C@@H](C#N)[C@@H]1c1cccnc1 ZINC000036032928 IF Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)NC(=O)OCC)[C@H](C#N)[C@@H]1c1cccnc1 ZINC000036032929 IF Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)NC(=O)OCC)[C@@H](C#N)[C@H]1c1cccnc1 ZINC000036032930 IF Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)NC(=O)OCC)[C@H](C#N)[C@H]1c1cccnc1 ZINC000036032931 IF Annotated Mild COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS(=O)(=O)O)cc1)C(=O)OC ZINC000036088951 IF Annotated Anodyne CCCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1 ZINC000036221408 IF Annotated Anodyne Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000036287097 IF Annotated Reactive Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O ZINC000036287100 IF Annotated Reactive O=C(c1nc2c([nH]1)c1oc(=O)[nH]c1c1oc(=O)[nH]c21)N1CCC(Cc2ccccc2)CC1 ZINC000036294473 IF Annotated Bother N[C@H]1CC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)=CC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000036310851 IF Annotated Anodyne in-vivo CS(=O)(=O)c1cccc(-c2cc(N3C[C@@H](N)[C@H](c4cc(F)c(F)cc4F)C3)ncn2)c1 ZINC000036310981 IF Annotated Anodyne COC(=O)[C@]1(CO)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1CN=[N+]=[N-] ZINC000036375875 IF Annotated Clean COC(=O)[C@]1(CO)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000036375877 IF Annotated Mild O=C(O)c1cc(-c2cccc(-c3nn4c(=O)cc(N5CCNCC5)nc4s3)c2)cs1 ZINC000036381394 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4[nH]cnc34)CC2)cc1 ZINC000036381489 IF Annotated Anodyne CCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1OC ZINC000036382330 IF Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000036382450 IF Annotated Anodyne COc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000036382451 IF Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H](C)Nc3ncnc(N4CCN(c5ccccn5)CC4)c32)cc1 ZINC000036382458 IF Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](C)Nc3ncnc(N4CCN(c5ccccn5)CC4)c32)cc1 ZINC000036382459 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cncn4C)nc4ccccc34)CC2)cc1 ZINC000036382624 IF Annotated Anodyne COc1ccc(CN2CC[C@H]3C=CC[C@@H](C(=O)NCc4cccnc4)[C@H]3C2=O)cc1OC ZINC000036382964 IF Annotated Anodyne Cc1cccc(C(=O)O[C@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@]23O4)c1 ZINC000036383011 IF Annotated Anodyne COc1cc(CN2c3ccc(Br)cc3C(=O)CS2(=O)=O)cc(OC)c1 ZINC000036383071 IF Annotated Anodyne Cc1ccccc1C(=O)O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]12O3 ZINC000036383114 IF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)c(OC)c1)N[C@@]2(C)C(=O)OC ZINC000036386429 IF Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccc(OC)cc3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386461 IF Annotated Anodyne CCCSc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000036386470 IF Annotated Anodyne CCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000036386498 IF Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(SC3CCCCC3)c(OC)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386546 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(OC)ccc3NC(=O)[C@@]12C ZINC000036387208 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)c3ccccc3NC(=O)[C@@]12C ZINC000036387219 IF Annotated Anodyne COc1ccc(C(=O)c2c3ccc(OC)cc3[n+]([O-])n2Cc2ccc(C(N)=O)cc2)cc1 ZINC000036387406 IF Annotated Anodyne Cc1cccc(C(=O)O[C@@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@@]32O4)c1 ZINC000036388011 IF Annotated Anodyne CCN(CC)C(=O)c1[nH]cnc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000036388191 IF Annotated Anodyne C[C@@H](NC(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000036388204 IF Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000036388206 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(Cc3ccccc3)C(=O)[C@@]12C ZINC000036389025 IF Annotated Anodyne CCCCN1CC(=O)N2[C@H]3c4cc(Cl)ccc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O ZINC000036389035 IF Annotated Anodyne COc1ccc(CC(=O)O[C@H]2[C@@H](C)C[C@H](O)[C@]34CCCN5CCC[C@@]53C(=O)C[C@H]24)cc1 ZINC000036402498 IF Annotated Anodyne CCOC(=O)O[C@H](C)OP(=O)(CCCN(O)C(C)=O)O[C@H](C)OC(=O)OCC ZINC000036410127 IF Annotated Anodyne CCOC(=O)O[C@H](C)OP(=O)(CCCN(O)C(C)=O)O[C@@H](C)OC(=O)OCC ZINC000036410128 IF Annotated Anodyne CCOC(=O)O[C@@H](C)OP(=O)(CCCN(O)C(C)=O)O[C@H](C)OC(=O)OCC ZINC000036410129 IF Annotated Anodyne COc1cc([C@H]2[C@@H](O)N(C)C(=O)[C@]23CCCN3C)c(Br)cc1Br ZINC000036445370 IF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@]2(C)[C@H](CCC[C@]23CO3)[C@@](C)(CCC2=CC(=O)OC2)[C@@]1(C)O ZINC000036454799 IF Annotated Anodyne C=C[C@@](C)(O)C[C@@H](O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2 ZINC000036472085 IF Annotated Mild C=C[C@@](C)(O)C[C@H](O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2 ZINC000036472086 IF Annotated Mild C=C[C@](C)(O)C[C@@H](O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2 ZINC000036472087 IF Annotated Mild C=C[C@](C)(O)C[C@H](O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2 ZINC000036472088 IF Annotated Mild COc1ccc(Cn2cc(C(=O)O)c(=O)c3cc4c(nc32)N2CCC[C@H]2CO4)c(OC)c1 ZINC000036472181 IF Annotated Anodyne COc1ccc(Cn2cc(C(=O)O)c(=O)c3cc4c(nc32)N2CCC[C@@H]2CO4)c(OC)c1 ZINC000036472187 IF Annotated Anodyne Nc1cc2ccc1Oc1cc(cc(Br)c1O)CCNC(=O)CCNC(=O)CC2 ZINC000036472927 IF Annotated Anodyne CS(=O)(=O)n1c(CCN2C(=O)c3ccccc3C2=O)nc2cc(Cl)c(Cl)cc21 ZINC000036473796 IF Annotated Anodyne O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1)CCNC2 ZINC000036520920 IF Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1)CCNC2 ZINC000036520924 IF Annotated Anodyne CCNC(=O)c1cc2c(-c3cc(OCC(N)=O)c(Cl)cc3Cl)nc(N)nc2s1 ZINC000037246119 IF Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(Cn4ccccc4=N)c4ccccc4c3)C[C@H]12 ZINC000377466657 IF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(Cn5ccc(=N)cc5)cccc4c3)C[C@H]12 ZINC000377810349 IF Annotated Anodyne COc1ccccc1COc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377815871 IF Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(OCCc3ccccc3)ccc21 ZINC000377815888 IF Annotated Anodyne Cc1cc2c(N=NC(N)=S)c(O)n(CN3CCN(C)CC3)c2cc1Br ZINC000377817455 IF Annotated Clean COc1ccc2cc3n(cc-2c1=NCCN1CCOCC1)CCc1cc2c(cc1-3)OCO2 ZINC000377820002 IF Annotated Anodyne COc1cc([C@@H]2CC(c3c(C)n(O)c4ccc(F)cc4[n+]3=O)=NN2)cc(OC)c1OC ZINC000377825227 IF Annotated Anodyne COc1cc([C@H]2CC(c3c(C)n(O)c4ccc(F)cc4[n+]3=O)=NN2)cc(OC)c1OC ZINC000377825228 IF Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(OCc3cccs3)ccc21 ZINC000377829962 IF Annotated Anodyne COc1ccc(COc2ccc3c(c2)n2ncc(I)c2[nH][n+]3=O)cc1 ZINC000377829969 IF Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(NCCc3ccccc3)ccc21 ZINC000377845080 IF Annotated Anodyne COc1ccccc1CNc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377845086 IF Annotated Anodyne CN(Cc1ccccc1)c1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377845190 IF Annotated Anodyne N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O ZINC000377845794 IF Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+](=O)c2cc(C(F)(F)F)ccc2n1O ZINC000377845812 IF Annotated Mild COc1cc(CN2CCN(C)CC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848961 IF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cccc(Cn5ccc(=N)cc5)c4c3)C[C@H]12 ZINC000377867600 IF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cc(Cn5ccccc5=N)ccc4c3)C[C@H]12 ZINC000377867601 IF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cccc(Cn5ccccc5=N)c4c3)C[C@H]12 ZINC000377867603 IF Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(Cn4ccc(=N)cc4)c4ccccc4c3)C[C@H]12 ZINC000378655029 IF Annotated Anodyne CN(C)c1ccc(C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000038141994 IF Annotated Reactive CC(C)CCn1c(Cn2c(=O)n(S(=O)(=O)N(C)C)c3ccccc32)nc2ccccc21 ZINC000038142851 IF Annotated Anodyne C[C@@H]1c2c(c(O)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000038147691 IF Annotated Anodyne C[C@H]1c2c(c(O)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000038147692 IF Annotated Anodyne C=C1c2c(c(O)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000038147693 IF Annotated Anodyne CN1CCN(C2=C(Cl)C(=O)C(c3cnc(N4CCCCC4)s3)=C(Cl)C2=O)CC1 ZINC000038152513 IF Annotated Mild CCS(=O)(=O)C1=CC(=NC(=O)C2=C/C(=C3/C=CC=CN3)Nc3ccccc32)C(=O)C=C1 ZINC000038160682 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000038263397 IF Annotated Anodyne COC(=O)c1c(O)cccc1O[C@H](/C=C/c1cccc(-c2cc(C(=O)O)no2)c1)CO ZINC000038346991 IF Annotated Anodyne COC(=O)c1c(O)cccc1O[C@@H](/C=C/c1cccc(-c2cc(C(=O)O)no2)c1)CO ZINC000038346992 IF Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@]2(C=O)C(C=O)=C[C@@H](OC(C)=O)C[C@@H]21 ZINC000038347186 IF Annotated Reactive CC(C)C(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)c1ccccc1 ZINC000038451681 IF Annotated Reactive C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4CF)C[C@@H]1CNC1CC1 ZINC000038460537 IF Annotated Anodyne O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc([C@H]2C=CS(=O)(=O)CC2)c(F)c1 ZINC000038480345 IF Annotated Anodyne O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc([C@@H]2C=CS(=O)(=O)CC2)c(F)c1 ZINC000038480346 IF Annotated Anodyne O=C1C=CC[C@H]([C@H](O)[C@H](O[C@@H]2[C@@H](c3ccccc3)O[C@H]3C=CC(=O)O[C@H]32)c2ccccc2)O1 ZINC000038514045 IF Annotated Anodyne COc1ccc([C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]2N)cc1 ZINC000038656469 IF Annotated Anodyne CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000038799914 IF Annotated Reactive in-vitro biogenic CCNC[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000038841021 IF Annotated Anodyne CCNC[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000038841022 IF Annotated Anodyne N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccc(F)cc1 ZINC000038906586 IF Annotated Anodyne COc1cc([C@H]2[C@@H](O)N(C)C(=O)[C@]23CCC=N3)c(Br)cc1Br ZINC000038940331 IF Annotated Anodyne Cc1c(N2C[C@H]3CC[C@H]4C[C@@]4(N)[C@H]3C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000038941060 IF Annotated Anodyne C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@H](OC(C)=O)C(=O)[C@@]2(C)O[C@H]2[C@@H]1OC(C)=O ZINC000038992261 IF Annotated Mild C=C([C@@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@H](OC(C)=O)C(=O)[C@@]2(C)O[C@H]2[C@@H]1OC(C)=O ZINC000038992262 IF Annotated Mild C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@@]2(C)O[C@H]2[C@@H]1OC(C)=O ZINC000038992263 IF Annotated Mild C=C([C@@H]1[C@H](OC(C)=O)C(=O)[C@@]2(C)O[C@H]2[C@@H]1OC(C)=O)[C@@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000038992264 IF Annotated Mild CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2[C@@H](OC(C)=O)C=C3C(=O)OC[C@@]3(O)[C@]12C ZINC000039013329 IF Annotated Anodyne C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(I)c1 ZINC000039037297 IF Annotated Mild in-vivo C=C1COC(=O)[C@@H]2[C@H]1C[C@H](O)[C@@]2(O)COC(=O)C1=CC=C(C(C)C)C[C@H]2[C@@H]1CC[C@H]2C ZINC000039065397 IF Annotated Mild in-vitro biogenic CN1CCN(c2nnc3n2-c2ccc(Br)cc2C(c2ccccn2)=NC3)CC1 ZINC000039247028 IF Annotated Anodyne CN(c1ccccc1)c1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000039298596 IF Annotated Anodyne CN(c1ccccc1)c1cc(NCc2ccccc2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000039298598 IF Annotated Anodyne COc1cc([C@H]2SCC(=O)N2c2cccnc2)c(CCCN2CCN(C)CC2)cc1O ZINC000039309890 IF Annotated Anodyne Cc1cccc(Oc2cc(NCc3ccco3)c(S(=O)(=O)O)cc2S(N)(=O)=O)c1 ZINC000039378679 IF Annotated Anodyne CN1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 ZINC000039400136 IF Annotated Anodyne CN1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 ZINC000039400139 IF Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4CC=C(Cl)C[C@H]4C3=O)cc2)n1 ZINC000004001685 IF Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1 ZINC000004003720 IF Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3cc(C)ccn3)ccc21 ZINC000004034720 IF Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3cc(C)ccn3)ccc21 ZINC000004034721 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041164 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041169 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041173 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041178 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041241 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041246 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041249 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041253 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCO)cc1 ZINC000004041384 IF Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCO)cc1 ZINC000004041387 IF Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCO)cc1 ZINC000004041389 IF Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCO)cc1 ZINC000004041392 IF Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004042897 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004042902 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004042908 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004042919 IF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)C1 ZINC000004045439 IF Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)C1 ZINC000004045443 IF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)C1 ZINC000004045445 IF Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)C1 ZINC000004045446 IF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004046309 IF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004046312 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1OC ZINC000004049002 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1OC ZINC000004049003 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1OC ZINC000004049004 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1OC ZINC000004049005 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049042 IF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049043 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049044 IF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049045 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049058 IF Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049059 IF Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049060 IF Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049061 IF Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)cc1OC ZINC000004049222 IF Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)cc1OC ZINC000004049223 IF Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)cc1OC ZINC000004049224 IF Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)cc1OC ZINC000004049225 IF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049641 IF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049642 IF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004049643 IF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004049644 IF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049653 IF Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049654 IF Annotated Bother COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049655 IF Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049656 IF Annotated Bother COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049657 IF Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049658 IF Annotated Bother COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049659 IF Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049660 IF Annotated Bother COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000004051343 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000004051344 IF Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000004051358 IF Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000004051359 IF Annotated Bother COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000004051944 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000004051947 IF Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004051963 IF Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004051966 IF Annotated Bother CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOCCO ZINC000004054861 IF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOCCO ZINC000004054864 IF Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004054866 IF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004054868 IF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004054892 IF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004054893 IF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004054894 IF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004054895 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c(OC)c1OC ZINC000004054924 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c(OC)c1OC ZINC000004054925 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c(OC)c1OC ZINC000004054926 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c(OC)c1OC ZINC000004054927 IF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)c1 ZINC000004055186 IF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)c1 ZINC000004055187 IF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)c1 ZINC000004055188 IF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)c1 ZINC000004055189 IF Annotated Anodyne CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)CC1 ZINC000004056875 IF Annotated Anodyne COc1ccc(N2CCN(C(=O)CCCC3=NS(=O)(=O)c4ccccc4N3)CC2)cc1 ZINC000004056885 IF Annotated Clean COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c(OC)c1OC ZINC000004076820 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c(OC)c1OC ZINC000004076829 IF Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004076915 IF Annotated Bother CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004076921 IF Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000004076949 IF Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000004076964 IF Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077132 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077150 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077163 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077181 IF Annotated Anodyne COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000004077543 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080795 IF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080796 IF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080799 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004081015 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004081017 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004081020 IF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004081022 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000004081115 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000004081117 IF Annotated Anodyne O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1 ZINC000004092501 IF Annotated Anodyne Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)C[C@@H]2CCCO2)c1 ZINC000004092765 IF Annotated Anodyne Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)C[C@H]2CCCO2)c1 ZINC000004092766 IF Annotated Anodyne O=C1C[C@@H](C(=O)N(C[C@@H]2CCCO2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)CS1 ZINC000004093317 IF Annotated Anodyne O=C1C[C@@H](C(=O)N(C[C@H]2CCCO2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)CS1 ZINC000004093319 IF Annotated Anodyne CC(=O)O[C@@]1(C)C[C@H](OC(=O)C(C)C)[C@@H]2[C@@H](OC(=O)[C@@]2(C)OC(C)=O)[C@@H]2C(C)=CC[C@H]21 ZINC000004098169 IF Annotated Anodyne in-vitro COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000004100932 IF Annotated Anodyne CN(CCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000004101458 IF Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)[C@@H]1C ZINC000004111692 IF Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)[C@@H]1C ZINC000004111701 IF Annotated Anodyne O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCc2ccccc21 ZINC000004143729 IF Annotated Anodyne O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCc2ccccc21 ZINC000004143730 IF Annotated Anodyne O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000004144841 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCOCCO ZINC000004152089 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCOCCO ZINC000004152090 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCOCCO ZINC000004152091 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCOCCO ZINC000004152092 IF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004152116 IF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004152117 IF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004152120 IF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004152123 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004152427 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004152429 IF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCOCCO)c1 ZINC000004152546 IF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCOCCO)c1 ZINC000004152547 IF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCOCCO)c1 ZINC000004152548 IF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCOCCO)c1 ZINC000004152549 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCO ZINC000004152620 IF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCO ZINC000004152622 IF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCO ZINC000004152624 IF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCO ZINC000004152626 IF Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202216 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202217 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202218 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202219 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202220 IF Annotated Clean CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202221 IF Annotated Clean CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202222 IF Annotated Clean CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202223 IF Annotated Clean CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N(C)C ZINC000004204562 IF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N(C)C ZINC000004204563 IF Annotated Bother CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOCCO ZINC000004205709 IF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOCCO ZINC000004205710 IF Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOCCO ZINC000004205712 IF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOCCO ZINC000004205715 IF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004205766 IF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004205769 IF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004205774 IF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004205777 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c(OC)c1OC ZINC000004205853 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c(OC)c1OC ZINC000004205855 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c(OC)c1OC ZINC000004205859 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c(OC)c1OC ZINC000004205862 IF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)c1 ZINC000004206626 IF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)c1 ZINC000004206630 IF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)c1 ZINC000004206631 IF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)c1 ZINC000004206633 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000004209465 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000004209490 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000004209498 IF Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1 ZINC000004238321 IF Annotated Anodyne CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(Cc4cccs4)c3n2)CC1 ZINC000004238355 IF Annotated Anodyne CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(-c4ccccc4)c3n2)CC1 ZINC000004238359 IF Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCN(C)CC4)nc32)c1 ZINC000004238415 IF Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1 ZINC000004238427 IF Annotated Anodyne COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(CCc3ccccc3)c2=O)cc1 ZINC000004238428 IF Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1 ZINC000004238487 IF Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1 ZINC000004238508 IF Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1 ZINC000004238551 IF Annotated Anodyne COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238649 IF Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1 ZINC000004238885 IF Annotated Anodyne CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(CCc4ccccc4)c3n2)CC1 ZINC000004238887 IF Annotated Anodyne COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(Cc3cccs3)c2=O)cc1 ZINC000004238896 IF Annotated Anodyne O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1 ZINC000004238951 IF Annotated Anodyne COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N4CCOCC4)nc32)cc1 ZINC000004238958 IF Annotated Anodyne CN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(Cc4ccc(F)cc4)c3n2)CC1 ZINC000004238985 IF Annotated Anodyne O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1 ZINC000004239002 IF Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)c1 ZINC000004239032 IF Annotated Anodyne CN1CCN(c2ncc3nc(-c4ccc(F)cc4)c(=O)n(Cc4cccs4)c3n2)CC1 ZINC000004239066 IF Annotated Anodyne COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(N4CCN(C)CC4)nc32)cc1 ZINC000004239163 IF Annotated Anodyne COc1ccc(-n2c(=O)c(-c3ccccc3)nc3cnc(N4CCN(C)CC4)nc32)cc1 ZINC000004239164 IF Annotated Anodyne CN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(CCc4ccccc4)c3n2)CC1 ZINC000004239171 IF Annotated Anodyne CCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000004295478 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004295741 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004295742 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004295743 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004295744 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC000004296191 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC000004296192 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC000004296193 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004296551 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004296552 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004296553 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004296554 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004310341 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004310342 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004310343 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004310344 IF Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004381353 IF Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004381356 IF Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004381359 IF Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004381362 IF Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004381427 IF Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004381431 IF Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004381432 IF Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004381438 IF Annotated Anodyne CCCCOc1ccc(-c2nnn(CC(=O)Nc3ncc(CC(=O)OCC)s3)n2)cc1 ZINC000004409864 IF Annotated Anodyne COCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000004411405 IF Annotated Anodyne COCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000004411406 IF Annotated Anodyne C[C@@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(I)c1 ZINC000040330948 IF Annotated Mild C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN(C)C)nn2)O1 ZINC000040380317 IF Annotated Mild CCOC(=O)C(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040380616 IF Annotated Anodyne COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(C(C)=O)CC4)cc2)CC3)cc1 ZINC000040391224 IF Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)NC1CCCCC1 ZINC000040391607 IF Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)NC1CCCCC1 ZINC000040391610 IF Annotated Anodyne CC1(C)C[C@@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)CO2)c2ccccc2O1 ZINC000040391744 IF Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)CO2)c2ccccc2O1 ZINC000040391747 IF Annotated Anodyne O=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12)N1CCOCC1 ZINC000040392256 IF Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@@H]([C@H]43)[C@@]12C ZINC000040392496 IF Annotated Anodyne in-vitro CCOC(=O)C(Cc1nc2c(n1C)C(=O)C(C)=C(C)C2=O)(C(=O)OCC)c1ccccc1 ZINC000040392926 IF Annotated Mild CCOc1cccc2c1S(=O)(=O)N/C2=C1\C(=O)[C@H](C(C)C)N(Cc2ccccc2)C1=O ZINC000040393641 IF Annotated Mild C/C(Cl)=C\CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)CCc1ccccc1 ZINC000040394158 IF Annotated Anodyne C/C(Cl)=C\CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)CCc1ccccc1 ZINC000040394160 IF Annotated Anodyne CC1CCN(C(=S)N/N=C/c2ccc(/C=C/c3ncc([N+](=O)[O-])n3CCO)cc2)CC1 ZINC000040403371 IF Annotated Mild CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040404960 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040404963 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040404966 IF Annotated Anodyne CCCC(=O)O[C@H]1[C@@H](O)[C@@]23[C@@H](CC[C@H]4C(=O)O[C@@H](O[C@H]2O)[C@H]43)[C@@]2(C)CCCC(C)(C)[C@@H]12 ZINC000040406699 IF Annotated Anodyne CCCC(=O)O[C@H]1[C@@H](O)[C@]23[C@H](O)O[C@@H]4OC(=O)[C@H](CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12)[C@@H]43 ZINC000040406702 IF Annotated Anodyne CC(=O)c1ccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC000040409138 IF Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](OC(C)=O)CC[C@](C)(OC)[C@H](O)C1 ZINC000040412849 IF Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3ccc(OC(C)=O)c(OC(C)=O)c3oc2c1 ZINC000040413687 IF Annotated Bother CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccsc1)n2CCC(N)=O ZINC000040414518 IF Annotated Anodyne CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ncc3c2c1)OCO5 ZINC000040421483 IF Annotated Bother CCNC(=O)Nc1nc2cc(-n3cnc(C(=O)NC4CC4)c3)cc(-c3ccccn3)c2[nH]1 ZINC000040421520 IF Annotated Anodyne CN(C)CCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCCN(C)C)C2=O ZINC000040421611 IF Annotated Bother COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@H](C)N)C2(C)C)c2ncccc2c1 ZINC000040423521 IF Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@H](C)N)C2(C)C)c2ncccc2c1 ZINC000040423522 IF Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccsc3)CC2)c(F)c1 ZINC000040424021 IF Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](C)N(C(=O)CN)C2(C)C)c2ncccc2c1 ZINC000040424031 IF Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C)N(C(=O)CN)C2(C)C)c2ncccc2c1 ZINC000040424032 IF Annotated Anodyne CC(=O)O[C@@H](c1ccc(Br)cc1)[C@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C ZINC000040424240 IF Annotated Bother CC(=O)O[C@H](c1ccc(Br)cc1)[C@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C ZINC000040424241 IF Annotated Bother CC(=O)O[C@@H](c1ccc(Br)cc1)[C@@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C ZINC000040424242 IF Annotated Bother CC(=O)O[C@@H](c1ncc([N+](=O)[O-])n1C)[C@H](OC(C)=O)c1ccc(Br)cc1 ZINC000040424243 IF Annotated Bother COc1cc2c(=O)n(CCNC(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 ZINC000040428787 IF Annotated Bother CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1cccc[n+]1[O-] ZINC000040447776 IF Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1cccc[n+]1[O-] ZINC000040447777 IF Annotated Reactive O=C1NC(=O)[C@@](CC#Cc2ccc(F)c(F)c2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000040465047 IF Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(F)c(F)c2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000040465048 IF Annotated Mild CN1CN(C)c2nc3n(Cc4ccccc4)c(O)c(Sc4ccccc4)c(=O)n3c2C1=O ZINC000040465654 IF Annotated Anodyne C/C=C/c1ccc(OCC(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040466237 IF Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccc(I)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000040466244 IF Annotated Mild C[C@H]1CC/C(=N\Nc2ccc(I)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000040466245 IF Annotated Mild C=CCc1ccc(O[C@@H](C)C(=O)NCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040466388 IF Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)NCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040466390 IF Annotated Mild CCCc1ccc(OCC(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040466890 IF Annotated Anodyne CC(C)NC(=N)N/N=C\c1ccc(-c2cn3cc(/C=N\NC(=N)NC(C)C)ccc3n2)cc1 ZINC000040496724 IF Annotated Mild CC(C)NC(=N)N/N=C\c1ccc2nc(-c3ccc(/C=N/NC(=N)NC(C)C)cc3)cn2c1 ZINC000040496726 IF Annotated Mild CCOC(=O)c1c2n(c3cc(N4CCN(CC(C)=O)CC4)c(F)cc3c1=O)[C@H](C)S2 ZINC000040498244 IF Annotated Anodyne CN(Cc1ccco1)c1cc(Oc2ccccc2)c(S(N)(=O)=O)cc1S(=O)(=O)O ZINC000040505007 IF Annotated Anodyne CN(c1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O)C1CCCCC1 ZINC000040505445 IF Annotated Anodyne Cc1ccccc1Nc1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000040505478 IF Annotated Anodyne CCc1ccc(CN2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000040556639 IF Annotated Anodyne Cc1cccc(CN2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1 ZINC000040556654 IF Annotated Anodyne Cc1cccc(CN2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1 ZINC000040556655 IF Annotated Anodyne Cc1ccc(CN2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000040564145 IF Annotated Anodyne Cc1ccc(CN2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000040564148 IF Annotated Anodyne COCCOCCOCCOc1ccc(C2=N[C@@](C)(C(=O)OC(C)C)CS2)c(O)c1 ZINC000040564482 IF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C/C=C/c4ccco4)CC3)c(F)c2)C(=O)O1 ZINC000040566795 IF Annotated Anodyne CCN(CC)/[N+]([O-])=N/Oc1cc(O/N=[N+](/[O-])N(CC)CC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040566913 IF Annotated Clean CCCC(=O)c1c(O)c(C)c(O)c(C[C@H]2C(=O)[C@H](C(=O)CC)C(=O)C(C)(C)C2=O)c1O ZINC000040568791 IF Annotated Anodyne O=c1[nH]cnc2c([N+](=O)[O-])ccc(Nc3ccc(OCCCN4CCOCC4)cc3)c12 ZINC000040584921 IF Annotated Bother N[C@H]1CCCN(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@H](N)C3)n2)C1 ZINC000040587750 IF Annotated Anodyne CCN(CC)c1nc(NCCNC(=O)c2cc(O)c(O)c(OC)c2)c2ccccc2n1 ZINC000040631659 IF Annotated Clean C=CCc1ccc(O[C@@H](C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040632045 IF Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040632047 IF Annotated Mild C[C@@H]1CC/C(=N\Nc2cccc(I)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040639232 IF Annotated Mild C[C@H]1CC/C(=N\Nc2cccc(I)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040639234 IF Annotated Mild NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCCc2ccco2)cc1Oc1ccccc1 ZINC000040639433 IF Annotated Anodyne CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)OC[C@H](CN2CCCCC2)O3)cs1 ZINC000040639466 IF Annotated Anodyne CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)OC[C@@H](CN2CCCCC2)O3)cs1 ZINC000040639468 IF Annotated Anodyne CNS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Oc1ccccc1 ZINC000040639591 IF Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccccc2I)c2ncc(C(=O)O)c(=O)n21 ZINC000040639593 IF Annotated Mild C[C@H]1CC/C(=N\Nc2ccccc2I)c2ncc(C(=O)O)c(=O)n21 ZINC000040639595 IF Annotated Mild CCOC(=O)COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O)cc1 ZINC000040753742 IF Annotated Mild CCOC(=O)COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O)cc1 ZINC000040753745 IF Annotated Mild CS/C(=N\C#N)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 ZINC000040763275 IF Annotated Mild CC(C)(C)[C@H]1C(O)=C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccn1 ZINC000040764043 IF Annotated Anodyne Cc1cccc(Nc2cc(NCc3ccco3)c(S(=O)(=O)O)cc2S(N)(=O)=O)c1 ZINC000040812512 IF Annotated Anodyne CCOC(=O)c1nn(-c2ccc(I)cc2)c(=O)c2c(N)scc12 ZINC000040834547 IF Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O ZINC000040848498 IF Annotated Anodyne CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2N(C)S(C)(=O)=O)C1=O ZINC000040863355 IF Annotated Anodyne Cc1c[nH]c2c(N/C(=C\C#N)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)cccc12 ZINC000040863971 IF Annotated Reactive C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)nc2)n1)c1ccc2ccccc2c1 ZINC000040864412 IF Annotated Anodyne C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@@H](N)C(=O)O)nc2)n1)c1ccc2ccccc2c1 ZINC000040864414 IF Annotated Anodyne O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)Nc1nnn[nH]1 ZINC000040864771 IF Annotated Clean Cc1cc2c(cc1S(=O)(=O)Oc1cccc(/C=N/NC(=O)c3ccncc3)c1)OCO2 ZINC000040865517 IF Annotated Reactive CN1CCN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1 ZINC000040865969 IF Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC4(CC3)OCCO4)cc21 ZINC000040866736 IF Annotated Bother Cc1cc2c(cc1S(=O)(=O)Oc1cccc(C(=O)N/N=C\c3ccncc3)c1)OCO2 ZINC000040866984 IF Annotated Reactive CCOC(=O)C1CCN(c2ncnc(Oc3cc(C(F)(F)F)nn3C)c2[N+](=O)[O-])CC1 ZINC000040873423 IF Annotated Bother CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCC(=O)N[C@@H](C)C(=O)N1 ZINC000040873645 IF Annotated Anodyne O=S1(=O)CCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040874189 IF Annotated Anodyne CCC[C@H]1C(=O)N([C@@H](CCC(=O)OC)Sc2ccc(Cl)cc2)S(=O)(=O)N1C ZINC000040877869 IF Annotated Anodyne CCC[C@H]1C(=O)N([C@H](CCC(=O)OC)Sc2ccc(Cl)cc2)S(=O)(=O)N1C ZINC000040877873 IF Annotated Anodyne Cc1cc(C(=O)N2CC(O)C2)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040891884 IF Annotated Anodyne Cc1cc(C(=O)N2CC(O)C2)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040891886 IF Annotated Anodyne CCOc1cccc2c1S(=O)(=O)N/C2=C1\C(=O)[C@H](C(C)C)N(CCC(C)(C)C)C1=O ZINC000040892147 IF Annotated Mild CNc1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1 ZINC000040893889 IF Annotated Bother CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3oc2c1 ZINC000040894394 IF Annotated Bother Cn1cc(C(=O)O)c(=O)c2cc(O)c(N3CCN(c4nc5ccccc5s4)CC3)cc21 ZINC000040899368 IF Annotated Anodyne O=C(C[C@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000040901291 IF Annotated Anodyne O=C(C[C@@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000040901293 IF Annotated Anodyne CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000040915414 IF Annotated Anodyne CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(C#N)nc1OCC1CCNCC1 ZINC000040917688 IF Annotated Mild COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)Nc2cc(F)cc(F)c2)cc1OC ZINC000040918452 IF Annotated Anodyne CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21 ZINC000040918539 IF Annotated Reactive CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21 ZINC000040918540 IF Annotated Reactive CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21 ZINC000040918541 IF Annotated Reactive CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21 ZINC000040918542 IF Annotated Reactive O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@H](OCc1ccc(OCc3ccccc3)cc1)C2 ZINC000040919115 IF Annotated Bother O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@@H](OCc1ccc(OCc3ccccc3)cc1)C2 ZINC000040919116 IF Annotated Bother CC(=O)c1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)C(C)C)cc1 ZINC000040919274 IF Annotated Mild CC(=O)c1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)C(C)C)cc1 ZINC000040919275 IF Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O ZINC000040933872 IF Annotated Anodyne CO[C@H]1[C@@H](O)CC/C(C)=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C(=O)C[C@@H]1O ZINC000040934504 IF Annotated Anodyne CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)c(Cl)c2)CC1=O ZINC000040935399 IF Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)s1 ZINC000040937596 IF Annotated Bother COC(=O)[C@@H]1C(CO)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000040938550 IF Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C)CC(=O)N1[C@H]2COCc1ccccc1 ZINC000040938617 IF Annotated Anodyne COc1cc2c(=O)n(CCN(C)CC#N)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040939748 IF Annotated Mild COc1c(C)c(OC)c(OC)c2c1C[C@H]1CNCC(=O)N1[C@H]2COCc1ccccc1 ZINC000040940470 IF Annotated Anodyne C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000040950208 IF Annotated Bother CC(C)(C)OC(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)Oc3cncc(Cl)c3)C(C)(C)S[C@H]12 ZINC000040951475 IF Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1c2cc(F)ccc2NC(=O)[C@@H]1CCSC ZINC000040952671 IF Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1c2cc(F)ccc2NC(=O)[C@H]1CCSC ZINC000040952673 IF Annotated Anodyne CCNC(=S)N1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000040954303 IF Annotated Anodyne CCOC(=O)Cc1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n12 ZINC000040954541 IF Annotated Anodyne CN(C)Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040955558 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@H](C[C@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040957671 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@H](C[C@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040957674 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@@H](C[C@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040957677 IF Annotated Anodyne CCN(CC)C(=O)CN(c1ccc(C)cc1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000040957746 IF Annotated Mild CCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000040974136 IF Annotated Anodyne CCOC(=O)C1CCN(c2ncnc(Oc3ccc(OCCOC)cc3)c2[N+](=O)[O-])CC1 ZINC000040980535 IF Annotated Bother CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@@H]3C[C@]4(CO4)[C@]12[C@@H](OC(C)=O)O3 ZINC000042835520 IF Annotated Anodyne in-vitro CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@@H]3C[C@]4(CO4)[C@]12[C@H](OC(C)=O)O3 ZINC000042835522 IF Annotated Anodyne C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO ZINC000042850996 IF Annotated Anodyne C[C@@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO ZINC000042850999 IF Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)nn1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000042922017 IF Annotated Anodyne Cc1ccc(CN2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)o1 ZINC000042922755 IF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(F)c(F)c1F)C1=C(N2)c2ccccc2C1=O ZINC000042988635 IF Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(F)c(F)c1F)C1=C(N2)c2ccccc2C1=O ZINC000042988637 IF Annotated Mild NCCC[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043010882 IF Annotated Reactive CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1ccc(OCCCO[N+](=O)[O-])cc1 ZINC000043011309 IF Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(OCCc3ccccc3)ccc21 ZINC000043011902 IF Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1ccccc1OCCCO[N+](=O)[O-] ZINC000043012128 IF Annotated Anodyne O=S(=O)(Cc1nnc(S)s1)c1c[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043014410 IF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000043015181 IF Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000043015184 IF Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000043015188 IF Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000043015191 IF Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OC[C@H](O)CC#N)c3ccccc32)nc2ccccc21 ZINC000043018728 IF Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OC[C@@H](O)CC#N)c3ccccc32)nc2ccccc21 ZINC000043018730 IF Annotated Mild COc1ccc(COc2ccc3c(c2)n2ncc(I)c2n[n+]3[O-])cc1 ZINC000043019508 IF Annotated Anodyne CCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043020417 IF Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCCN(C)C)c3ccccc32)nc2ccccc21 ZINC000043059515 IF Annotated Mild CS(=O)(=O)c1ccc([C@@H](CCNC(=O)c2ccc(=O)[nH]c2)c2ccc(F)cc2)cc1 ZINC000043064015 IF Annotated Anodyne CS(=O)(=O)c1ccc([C@H](CCNC(=O)c2ccc(=O)[nH]c2)c2ccc(F)cc2)cc1 ZINC000043064019 IF Annotated Anodyne CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCN(C)C)CC3)oc(=O)c12 ZINC000043064738 IF Annotated Anodyne CCSc1nnc(Cn2nc(-c3ccc(C)cc3)n(N)c2=O)n1-c1ccc(F)cc1 ZINC000043065316 IF Annotated Anodyne COc1cc2c(=O)n(CCn3ccnn3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000043066021 IF Annotated Bother CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1 ZINC000043066089 IF Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1 ZINC000043066093 IF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000043066388 IF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000043066392 IF Annotated Anodyne COc1ccccc1COc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000043067930 IF Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1cccc(OCCCO[N+](=O)[O-])c1 ZINC000043068920 IF Annotated Anodyne CCSC(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043070349 IF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc(F)cc(F)c1F)C1=C(N2)c2ccccc2C1=O ZINC000043074245 IF Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc(F)cc(F)c1F)C1=C(N2)c2ccccc2C1=O ZINC000043074248 IF Annotated Mild N#C/N=C(\Nc1ccc2ccccc2c1)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000043074335 IF Annotated Mild CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(=O)c2cc(F)c(N3CCNCC3)nc21 ZINC000043080027 IF Annotated Bother COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cnco1 ZINC000043120474 IF Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cc(N)nc(SCCNC(=O)OC(C)(C)C)n2)cc1 ZINC000043122046 IF Annotated Anodyne CC(C)(C)OC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043122706 IF Annotated Clean O=c1n(C(CO)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 ZINC000043151874 IF Annotated Anodyne COc1cc(/C=C/c2nc3cc(S(C)(=O)=O)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 ZINC000043197799 IF Annotated Anodyne CCCCCCCCSC[S@@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000043226689 IF Annotated Mild CCCCCCCCSC[S@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000043226692 IF Annotated Mild C[C@@H](/C(O)=N/S(=O)(=O)C(F)(F)F)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000043587265 IF Annotated Unstable C[C@@H](/C(O)=N/S(=O)(=O)c1cccnc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000043587294 IF Annotated Unstable O=S(=O)(CC(F)(F)F)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000043617592 IF Annotated Reactive CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004545956 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004545957 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004545958 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004545959 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccccc2OC)C1 ZINC000004545995 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccccc2OC)C1 ZINC000004545996 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccccc2OC)C1 ZINC000004545997 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccccc2OC)C1 ZINC000004545998 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000004545999 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546000 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546002 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546004 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004547461 IF Annotated Anodyne C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000004547864 IF Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000004547867 IF Annotated Anodyne C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000004547870 IF Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000004547872 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004547983 IF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)NCCN(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563167 IF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)NCCN(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563169 IF Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)NCCN(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563170 IF Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)NCCN(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563171 IF Annotated Anodyne COc1cc2c(cc1OC)n(CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C)n1c(C)cc(=O)nc21 ZINC000004585719 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004612108 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004612109 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004612110 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004612112 IF Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000004612173 IF Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000004612174 IF Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000004612175 IF Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000004612176 IF Annotated Anodyne CC[C@@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000004654436 IF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCOCC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004799336 IF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCOCC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004799338 IF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCOCC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004799340 IF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCOCC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004799342 IF Annotated Anodyne CCN(CC)CCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1 ZINC000004875458 IF Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@@H](CNCc4ccc(F)cc4)C3)c2n1 ZINC000045189626 IF Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@H](CNCc4ccc(F)cc4)C3)c2n1 ZINC000045189627 IF Annotated Anodyne O=C(NC[C@@H]1CN(Cc2ccc(N3CCCC3)o2)CCCO1)c1ccc2c(c1)OCO2 ZINC000045194406 IF Annotated Anodyne O=C(NC[C@H]1CN(Cc2ccc(N3CCCC3)o2)CCCO1)c1ccc2c(c1)OCO2 ZINC000045194410 IF Annotated Anodyne CCOC(=O)c1cc(Cl)cc(Cl)c1OCCCON1C(=N)NC(=N)NC1(C)C ZINC000045229408 IF Annotated Anodyne Cc1c2c(nn1CC(=O)N/N=C/c1ccccc1Cl)-c1ccccc1S(=O)(=O)N2C ZINC000045244866 IF Annotated Reactive Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000045245246 IF Annotated Anodyne Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000045245247 IF Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2occc2Br)CC1)c1c[nH]c2cccc(F)c12 ZINC000045245252 IF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccn(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC000045245472 IF Annotated Bother COc1ccc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1OC(C)=O ZINC000045245563 IF Annotated Anodyne COc1ccc([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1OC(C)=O ZINC000045245564 IF Annotated Anodyne Cc1c2c(nn1CC(=O)N/N=C/c1ccc(Cl)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000045246046 IF Annotated Reactive Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc21 ZINC000045253094 IF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(OC(F)(F)F)cc3)c1)C2 ZINC000045253096 IF Annotated Bother COc1ccc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1[N+](=O)[O-] ZINC000045253667 IF Annotated Bother COc1ccc([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1[N+](=O)[O-] ZINC000045253669 IF Annotated Bother COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](C)N(C(=O)CN)C2(C)C)c2ncccc2c1 ZINC000045254548 IF Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](C)N(C(=O)CN)C2(C)C)c2ncccc2c1 ZINC000045254550 IF Annotated Anodyne COc1ccc(CCCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(OC)cc2)cc1 ZINC000045256858 IF Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1 ZINC000045256902 IF Annotated Bother CC(C)(C)OC(=O)N1C[C@@H]2c3cn[nH]c3C[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045259303 IF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045259306 IF Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@@H](C)N)C2(C)C)c2ncccc2c1 ZINC000045260083 IF Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@@H](C)N)C2(C)C)c2ncccc2c1 ZINC000045260086 IF Annotated Anodyne CCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000045260171 IF Annotated Anodyne Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn1-2 ZINC000045261808 IF Annotated Anodyne COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000045285721 IF Annotated Anodyne COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000045285723 IF Annotated Anodyne CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2N(S(=O)(=O)c2cn(C)cn2)C3)cc1 ZINC000045286181 IF Annotated Anodyne CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N(S(=O)(=O)c2cn(C)cn2)C3)cc1 ZINC000045286183 IF Annotated Anodyne C[C@@H](O)[C@H](NCCc1nc(C(=O)O)cc2c3ccccc3n(Cc3ccccc3)c12)C(=O)O ZINC000045286491 IF Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3cnnn3)c(C)[nH]c(=O)c2I)c1 ZINC000045289264 IF Annotated Anodyne CN(C)CCC(=O)NCc1cccc2cc3cccc(CNC(=O)CCN(C)C)c3nc12 ZINC000045299298 IF Annotated Bother O=C(O)c1cc2c3ccccc3n(Cc3ccccc3)c2c(CCN[C@@H](CO)C(=O)O)n1 ZINC000045299726 IF Annotated Anodyne COc1ccc(CCCN2C(=O)N(NS(C)(=O)=O)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000045319834 IF Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CCOC)c(=O)c3)cc2n1 ZINC000045321210 IF Annotated Anodyne CNC(=O)[C@H]1Cc2c([nH]c3c(C)cccc23)[C@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000045323149 IF Annotated Anodyne CNC(=O)[C@@H]1Cc2c([nH]c3c(C)cccc23)[C@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000045323152 IF Annotated Anodyne CNC(=O)[C@H]1Cc2c([nH]c3c(C)cccc23)[C@@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000045323155 IF Annotated Anodyne CNC(=O)[C@@H]1Cc2c([nH]c3c(C)cccc23)[C@@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000045323158 IF Annotated Anodyne CS(=O)(=O)NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1cccc(O)c1 ZINC000045336824 IF Annotated Anodyne CS(=O)(=O)NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1 ZINC000045336826 IF Annotated Anodyne COc1ccc2c(c1)SCC(=O)N2C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045337798 IF Annotated Anodyne COc1ccc2c(c1)SCC(=O)N2C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045337800 IF Annotated Anodyne C=CCn1c2ccccc2c2nnc(S(=O)(=O)CCCn3c(=O)[nH]c4ccccc43)nc21 ZINC000045338217 IF Annotated Mild CC(C)N(C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1)C(C)C ZINC000045338524 IF Annotated Anodyne C[C@H](/N=C/C=C/N[C@@H](C)C(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1 ZINC000045338927 IF Annotated Mild C[C@H]1CC[C@@H](C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1 ZINC000045339225 IF Annotated Anodyne C[C@H]1CC[C@H](C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1 ZINC000045339227 IF Annotated Anodyne C[C@@H](NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(C(=O)N2[C@H](C)CC[C@H]2C)cc1 ZINC000045339229 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(Cc3cc([N+](=O)[O-])c4cccnc4c3O)CC2)cc1 ZINC000045352798 IF Annotated Clean Cn1c(Cc2c(F)cccc2F)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1 ZINC000045354274 IF Annotated Anodyne COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=CC3=O)c2[nH]c3ccc(O)cc3c2c1C ZINC000045355735 IF Annotated Mild CC(=O)N1CCN(C[C@H](C)NC(=O)c2cc3c(-c4ccccc4)nn(C)c3s2)CC1 ZINC000045357434 IF Annotated Anodyne CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc3c(-c4ccccc4)nn(C)c3s2)CC1 ZINC000045357437 IF Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(C(=O)O[C@H]2Cc3ccccc3C[C@H]2OC(C)=O)c1 ZINC000045358688 IF Annotated Anodyne COc1c(N2CC[C@@H](C3(N)CCC3)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000045358785 IF Annotated Anodyne Nc1nc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c2ccsc2n1 ZINC000045364694 IF Annotated Anodyne CN1C=C(C(=O)/N=C(\N)NCc2cccc(I)c2)Cc2ccccc21 ZINC000045374372 IF Annotated Mild CCn1c2ccccc2c2nnc(S(=O)(=O)CCCn3c(=O)[nH]c4ccccc43)nc21 ZINC000045374784 IF Annotated Anodyne CCSCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O ZINC000045375322 IF Annotated Anodyne CNC1([C@@H]2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3OC)C2)CC1 ZINC000045385651 IF Annotated Anodyne CC(=O)N1CCN(C[C@H](C)NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1 ZINC000045388727 IF Annotated Anodyne CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1 ZINC000045388731 IF Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC=O)=CC3=O)n1 ZINC000045392605 IF Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2CC(=O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@@H]2O[C@@H]2C(=O)O1 ZINC000045495304 IF Annotated Mild CCCN1C(=O)NC2(CCN(Cc3cc4cnc(C#N)nc4n3CC(C)(C)C)CC2)C1=O ZINC000045495382 IF Annotated Mild O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3cccs3)CC2)c(F)c1 ZINC000045497655 IF Annotated Anodyne CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-n5cccc5)cc43)cc2)CC1 ZINC000045498185 IF Annotated Anodyne CN(C)CCNc1ccc2c(c1)c(=O)n(CCN(C)C)c1c3cc4c(cc3ncc21)OCO4 ZINC000045498525 IF Annotated Bother COC1=CC(=O)[C@]2(C=C1OC)OC[C@H]1Oc3c4c(cc(O)c3C(=O)[C@H]12)OC(C)(C)C=C4 ZINC000045498687 IF Annotated Mild CC(=O)O[C@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]([C@H]2COC(C)(C)O2)O[P@]1(=O)c1ccccc1 ZINC000470499051 IF Annotated Anodyne CC(=O)OCC1=C2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)C2=C(O)C(=O)[C@H]1C(C)C ZINC000473081265 IF Annotated Mild CC(=O)OCC1=C2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)C2=C(O)C(=O)[C@@H]1C(C)C ZINC000473081266 IF Annotated Mild C=CC(=O)Nc1ccc(CN=c2[nH]c(Nc3cnn(CCOC)c3)ncc2Cl)cc1 ZINC000473086036 IF Annotated Anodyne O=C(CBr)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F ZINC000473089021 IF Annotated Reactive O=C(CBr)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F ZINC000473089023 IF Annotated Reactive N#Cc1cccc(COc2ccc3c(c2)CN2C(=O)[C@@H](CO)N(C4CCCC4)C(=O)[C@H]2C3)c1 ZINC000473089206 IF Annotated Mild N#Cc1cccc(COc2ccc3c(c2)CN2C(=O)[C@H](CO)N(C4CCCC4)C(=O)[C@H]2C3)c1 ZINC000473089221 IF Annotated Mild COc1cc(Cn2c(C)c(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc(OC)c1 ZINC000473090721 IF Annotated Clean COc1ccc(CN(C(=O)n2cnc(S(=O)(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)C2CC2)cc1 ZINC000473090826 IF Annotated Anodyne CC(=O)N(C)Cc1cc(N=c2ccnc(N(C)Cc3ccc4nc[nH]c4c3Cl)[nH]2)n[nH]1 ZINC000473091534 IF Annotated Anodyne COc1ccc(Cn2c(C)c(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)c(OC)c1 ZINC000473098269 IF Annotated Clean CS(=O)(=O)c1cnc(O[C@@H]2CC[C@@H](OC3CCN(CC(F)(F)F)CC3)CC2)cn1 ZINC000473105309 IF Annotated Anodyne CCC(=O)Nc1ccccc1Oc1nc(N=c2cc(C)[nH][nH]2)cc(N2CCN(C)CC2)n1 ZINC000473109121 IF Annotated Anodyne COc1cc(Cn2c(C)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc(OC)c1OC ZINC000473109220 IF Annotated Clean C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CC(C)(C)O)c3)ncc2Cl)c1 ZINC000473109860 IF Annotated Anodyne N[C@H]1C[C@H](C[C@H](NC(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)C(=O)O)C1 ZINC000473114393 IF Annotated Anodyne N[C@H]1C[C@H](C[C@@H](NC(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)C(=O)O)C1 ZINC000473114394 IF Annotated Anodyne N[C@H]1C[C@H](C[C@H](NC(=O)N[C@H](CC2CCCCC2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)C(=O)O)C1 ZINC000473114395 IF Annotated Anodyne N[C@H]1C[C@H](C[C@@H](NC(=O)N[C@H](CC2CCCCC2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)C(=O)O)C1 ZINC000473114396 IF Annotated Anodyne Cn1c(-c2cc(C(=O)c3ccc(Br)cc3)n3ccccc23)nc(O)nc1=O ZINC000473115617 IF Annotated Anodyne COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(c3ccnc4[nH]ncc34)CC2)c1 ZINC000473115809 IF Annotated Anodyne O=C(CNc1ccc(Cl)cc1)N[C@@]1(CO)CSC2=C1C(=O)c1ccccc1C2=O ZINC000473115928 IF Annotated Mild O=C(CNc1ccc(Cl)cc1)N[C@]1(CO)CSC2=C1C(=O)c1ccccc1C2=O ZINC000473115929 IF Annotated Mild Cc1cn(-c2ccnc(Nc3cc(C)c(OCCO)c(C)c3)n2)cc1CN1CC[C@@H](O)C1 ZINC000473123252 IF Annotated Anodyne COC[C@H](C)Oc1cc(C#Cc2cccc(OCC#N)c2)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473124813 IF Annotated Mild COC[C@H](C)Oc1cc(C#Cc2ccc3c(c2)OCO3)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473127353 IF Annotated Mild COC[C@H](C)Oc1cc(C#Cc2cccc(N(C)C)c2)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473128111 IF Annotated Mild CN1CCN(c2cncc(-c3cnc4c5n[nH]cc5c(=O)n(CC(F)(F)F)c4c3)c2)CC1 ZINC000473128571 IF Annotated Clean CN1CCN(c2ccc(-c3cnc4c5n[nH]cc5c(=O)n(CC(F)(F)F)c4c3)cn2)CC1 ZINC000473129025 IF Annotated Clean CS(=O)(=O)Nc1ccccc1-c1cnc2c3n[nH]cc3c(=O)n(CC(F)(F)F)c2c1 ZINC000473129684 IF Annotated Clean C[C@H]1OC(=O)c2c(O)cc3c(c2[C@H]1O)C[C@H]1[C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2C[C@H](O)[C@]1(C)O3 ZINC000473130124 IF Annotated Mild COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12 ZINC000473133091 IF Annotated Mild Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 ZINC000473133679 IF Annotated Anodyne CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)OCCOC)nc21 ZINC000473133998 IF Annotated Anodyne Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)cn2)C3)ccc2c1COC2=O ZINC000473134072 IF Annotated Mild CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(C#N)cc3)=NC2=N1 ZINC000473134088 IF Annotated Mild CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(C#N)cc3)=NC2=N1 ZINC000473134090 IF Annotated Mild Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2F)cn1 ZINC000473134341 IF Annotated Anodyne C[C@](O)(c1cnc(-c2ccc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)nc1)C(F)(F)F ZINC000473134449 IF Annotated Anodyne C[C@@](O)(c1cnc(-c2ccc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)nc1)C(F)(F)F ZINC000473134450 IF Annotated Anodyne O=C(Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2)NCC1CCNCC1 ZINC000473135144 IF Annotated Anodyne Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ncc(C#N)cn2)CC3)ccc2c1COC2=O ZINC000473135539 IF Annotated Mild Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)c(F)c2)cn1 ZINC000473135691 IF Annotated Anodyne CC(=O)Nc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473135990 IF Annotated Anodyne CC(=O)Nc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473135991 IF Annotated Anodyne COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CCF)cn4)sc3C2)c1 ZINC000473136144 IF Annotated Anodyne Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cnc(C#N)cn2)CC3)ccc2c1COC2=O ZINC000473136424 IF Annotated Mild Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)nn2)CC3)ccc2c1COC2=O ZINC000473136462 IF Annotated Mild N=C(O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2)c2ccccc21 ZINC000473145519 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000473147612 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12 ZINC000473147621 IF Annotated Anodyne Oc1ccc(C2=Cc3cc(CN4CCOCC4)c(O)cc3OC2)cc1CN1CCOCC1 ZINC000473150249 IF Annotated Clean CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4C(C(=O)OC)(C(=O)OC)CCC[C@]34C=O)[C@@H](C)C1=CC(=O)O2 ZINC000473153041 IF Annotated Mild CCO[C@@]12C[C@H]3[C@@H](CC[C@@H]4C(C(=O)OC)(C(=O)OC)CCC[C@]34C=O)[C@@H](C)C1=CC(=O)O2 ZINC000473153042 IF Annotated Mild Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nn23)c(C(F)F)n1 ZINC000473154557 IF Annotated Anodyne N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000473154604 IF Annotated Mild N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1cccc(Cl)c1 ZINC000473155062 IF Annotated Mild COc1cc(CC(c2nn[nH]n2)c2nn[nH]n2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000473156196 IF Annotated Anodyne Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(C(F)(F)F)n1 ZINC000473156205 IF Annotated Anodyne N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1Cl ZINC000473159853 IF Annotated Mild Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2cnc4ccccc4n2)C3)c(-n2nccn2)n1 ZINC000473170597 IF Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2cnc4ccccc4n2)C3)c(-n2ccnn2)n1 ZINC000473170779 IF Annotated Anodyne CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF ZINC000473170915 IF Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)C#CCCCn1cncn1 ZINC000473179104 IF Annotated Mild Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c1-n1nccn1 ZINC000473179365 IF Annotated Anodyne C[C@H]1C[C@@]2(Cc3ccc(Cl)cc3[C@@]23NC(=N)N(Cc2ncccn2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473197603 IF Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(Cl)cc3[C@@]23NC(=N)N(Cc2ncccn2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473197611 IF Annotated Anodyne C[C@H]1C[C@@]2(CC[C@@H]1O)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC2CC(F)(F)C2)C1=O ZINC000473197879 IF Annotated Mild C[C@H]1C[C@]2(CC[C@@H]1O)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC2CC(F)(F)C2)C1=O ZINC000473197880 IF Annotated Mild C[C@H]1C[C@]2(CC[C@@H]1O)Cc1ccc(C#N)cc1[C@]21NC(=N)N(CC2CC(F)(F)C2)C1=O ZINC000473197881 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2(C)COC2)C3=O)C[C@H]1C ZINC000473197995 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC2(C)COC2)C3=O)C[C@H]1C ZINC000473197996 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2(C)COC2)C3=O)C[C@H]1C ZINC000473197997 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C[C@@H]2CCCO2)C3=O)C[C@H]1C ZINC000473198056 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(C[C@H]2CCCO2)C3=O)C[C@H]1C ZINC000473198059 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(C[C@@H]2CCCO2)C3=O)C[C@H]1C ZINC000473198063 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C[C@@H]2CCCO2)C3=O)C[C@H]1C ZINC000473198066 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C[C@H]2CCCO2)C3=O)C[C@H]1C ZINC000473198069 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C[C@H]2CCCO2)C3=O)C[C@H]1C ZINC000473198072 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CCC2COC2)C3=O)C[C@H]1C ZINC000473198126 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CCC2COC2)C3=O)C[C@H]1C ZINC000473198130 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CCC2COC2)C3=O)C[C@H]1C ZINC000473198133 IF Annotated Mild Cc1cc(CN2C(=N)N[C@]3(C2=O)c2cc(C#N)ccc2C[C@]32C[C@H](C)[C@@H](O)[C@H](C)C2)ccn1 ZINC000473198557 IF Annotated Mild Cc1cc(CN2C(=N)N[C@]3(C2=O)c2cc(C#N)ccc2C[C@@]32C[C@H](C)[C@@H](O)[C@H](C)C2)ccn1 ZINC000473198558 IF Annotated Mild Cc1cc(CN2C(=N)N[C@@]3(C2=O)c2cc(C#N)ccc2C[C@@]32C[C@H](C)[C@@H](O)[C@H](C)C2)ccn1 ZINC000473198559 IF Annotated Mild C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CCc2ccncc2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473199082 IF Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CCc2ccncc2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473199083 IF Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CCc2ccncc2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473199084 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(Cc2ccncn2)C3=O)C[C@H]1C ZINC000473214402 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(Cc2ccncn2)C3=O)C[C@H]1C ZINC000473214407 IF Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(Cc2ccncn2)C3=O)C[C@H]1C ZINC000473214410 IF Annotated Mild C/C(=N/n1cc(O)nc1O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1 ZINC000473228802 IF Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2CCO3)no1 ZINC000473229046 IF Annotated Mild Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N[C@H]5[C@@H]6CNC[C@@H]65)cc4c3)n2)c1 ZINC000473236533 IF Annotated Anodyne N=c1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CC[C@@H](O)CC3)cc2F)c[nH]1 ZINC000473238150 IF Annotated Anodyne C[C@@H](NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2 ZINC000473244349 IF Annotated Anodyne C[C@H](NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2 ZINC000473244350 IF Annotated Anodyne C[C@@H](CNc1ccc(NC[C@H](C)N(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O)N(C)C ZINC000473245282 IF Annotated Clean C[C@@H](CNc1ccc(NC[C@@H](C)N(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O)N(C)C ZINC000473245286 IF Annotated Clean C[C@H](CNc1ccc(NC[C@@H](C)N(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O)N(C)C ZINC000473245288 IF Annotated Clean CC(C)NCCNc1ccc(NCCNC(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000473245314 IF Annotated Clean CCOC(=O)Cn1cc(COCc2c(-c3ccc(OC)cc3)nc3sc(C)nn23)nn1 ZINC000473248417 IF Annotated Anodyne CCOC(=O)Cn1cc(COCc2c(-c3ccc(C)cc3)nc3sc(C)nn23)nn1 ZINC000473249049 IF Annotated Anodyne CC(=O)OCCC[C@H](C)C1=C(C)C[C@H]2OC(=O)[C@@H](CSCCO)[C@H]2[C@@H]1OC(C)=O ZINC000473249069 IF Annotated Anodyne CC(=O)OCCC[C@H](C)C1=C(C)C[C@H]2OC(=O)[C@H](CSCCO)[C@H]2[C@@H]1OC(C)=O ZINC000473249070 IF Annotated Anodyne C[C@@H](O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)cc1 ZINC000474602148 IF Annotated Anodyne C[C@H](O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)cc1 ZINC000474602149 IF Annotated Anodyne COC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ccccc3[nH]1)CC2 ZINC000474604810 IF Annotated Anodyne CCOC(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000474609005 IF Annotated Anodyne O=C(O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000474609334 IF Annotated Anodyne COC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000474609611 IF Annotated Anodyne COC(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000474609779 IF Annotated Anodyne Cn1c(C(=O)N2CCOCC2)c(/C=C2/C(=O)ON=C2C(F)(F)F)c2cc(F)ccc21 ZINC000474609899 IF Annotated Mild COC(=O)[C@@H]1C[C@@]23C(=O)[C@@H]4C[C@H]5N(C[C@H]4C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@]53COC(C)=O ZINC000048999363 IF Annotated Anodyne N#Cc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc65)c4n3)c2c1 ZINC000049032227 IF Annotated Mild O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccco3)n[nH]c2c1=O)c1cccnc1 ZINC000049033036 IF Annotated Bother CC(C)Cc1n[nH]c2c(=O)n(NC(=O)c3ccncc3)c(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000049033319 IF Annotated Bother CN(CCCCOc1ccccc1N)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049033450 IF Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1C1CC1 ZINC000049034692 IF Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000049035531 IF Annotated Anodyne COC[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049035850 IF Annotated Anodyne O=C(O)C1=C(NC(=O)C(F)(F)C(F)(F)c2nc(-c3ccc(O)cn3)no2)CCCC1 ZINC000049036519 IF Annotated Anodyne Cc1cc([C@H](OC[C@H](O)CNCCN)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049048969 IF Annotated Anodyne Cc1cc([C@@H](OC[C@H](O)CNCCN)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049048973 IF Annotated Anodyne Cc1cc([C@H](OC[C@@H](O)CNCCN)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049048977 IF Annotated Anodyne Cc1cc([C@@H](OC[C@@H](O)CNCCN)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049048981 IF Annotated Anodyne O=C1CCc2ccc(OC3CCN(C[C@@H]4COc5c(ccc6c5CC(=O)N6)O4)CC3)cc2N1 ZINC000049052025 IF Annotated Anodyne CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O ZINC000049054460 IF Annotated Anodyne C=C1[C@H]2CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]3C2)[C@H]1O ZINC000049055530 IF Annotated Mild in-vitro CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccn3)nc2C(F)(F)F)cc1 ZINC000049067245 IF Annotated Anodyne O=C(NCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)[C@@H]1COC(c2ccccc2)=N1 ZINC000049068343 IF Annotated Anodyne O=C(NCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)[C@H]1COC(c2ccccc2)=N1 ZINC000049068346 IF Annotated Anodyne CCOCCn1nc(C)c2nc(N3CCC(C(=O)O)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000049069020 IF Annotated Anodyne CC1CCN(C(=O)c2c(F)cccc2OCC(=O)N[C@H](CO)Cc2ccccc2)CC1 ZINC000049070483 IF Annotated Anodyne N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000049070703 IF Annotated Reactive N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000049070704 IF Annotated Reactive NCCCCN(C(=O)c1ccc2c(c1)CCO2)c1ccnc(NC2CCC(O)CC2)n1 ZINC000049070813 IF Annotated Anodyne COC(=O)NNC(=O)/C(=C/c1cc(OC)c(OC)cc1OC)c1ccc(OC)c(OC)c1 ZINC000049071397 IF Annotated Reactive CCCNS(=O)(=O)c1c(OC)cc(OC)c2c(=O)c3cc(OC)c(OC)cc3oc12 ZINC000049071554 IF Annotated Bother CN(CCCn1c(=O)[nH]c2ccc(I)cc2c1=O)Cc1ccccc1 ZINC000049073078 IF Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CC1 ZINC000049088950 IF Annotated Anodyne COc1cccc(-c2nc3c(-c4ccco4)n[nH]c3c(=O)n2NC(=O)c2cccnc2)c1 ZINC000049089097 IF Annotated Anodyne O=C1Nc2ccc(S(=O)(=O)NCCCCC(F)(F)P(=O)(O)O)c3cccc1c23 ZINC000049089796 IF Annotated Anodyne COC(=O)c1nc(SCc2cccc(C(F)(F)F)c2)n(COCCOC(C)=O)n1 ZINC000049109503 IF Annotated Anodyne CCC(=O)OC[C@H]1O[C@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000049109925 IF Annotated Anodyne O=C(NN1C(=O)/C(=C\[C@@H]2C(=O)Nc3ccccc32)SC1=S)c1cccc([N+](=O)[O-])c1 ZINC000049111332 IF Annotated Clean CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4C(=O)CCc5ccccc54)nc3cc1C2 ZINC000049112691 IF Annotated Anodyne CN(CCCCOc1cccc(N)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049112867 IF Annotated Anodyne CN(CCCCOc1cccc(N)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049112868 IF Annotated Anodyne COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(C(C)=O)ccc4[nH]3)C[C@H]3C[C@]123 ZINC000049113339 IF Annotated Mild COC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)OC)cc35)cc2c1 ZINC000049113492 IF Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2[C@@H](O)[C@@H]1CC3 ZINC000049113975 IF Annotated Mild C=CCN(CC=C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049116383 IF Annotated Mild COC[C@H](C)Nc1nccc(N(CC2CCNCC2)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000049116489 IF Annotated Anodyne CC[C@@H](COC)Nc1nccc(N(CC2CCNCC2)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000049125831 IF Annotated Anodyne CC[C@H](COC)Nc1nccc(N(CC2CCNCC2)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000049125835 IF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000049694026 IF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000049694027 IF Annotated Anodyne O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCN(CCO)CC1 ZINC000049694431 IF Annotated Reactive O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCS(=O)(=O)CC1 ZINC000049723120 IF Annotated Reactive COc1ccc2oc(=O)c(C(=O)NCc3cn(CCC[P@](=O)(F)OC)nn3)cc2c1 ZINC000049762167 IF Annotated Reactive COc1ccc2oc(=O)c(C(=O)NCc3cn(CCC[P@@](=O)(F)OC)nn3)cc2c1 ZINC000049762170 IF Annotated Reactive N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(OS(=O)(=O)C(F)(F)F)ccc41)[C@@H]32 ZINC000049763020 IF Annotated Unstable Cc1c(N2CCC3=C(C2)[C@H](O)CCS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049777145 IF Annotated Anodyne Cc1c(N2CCC3=C(C2)[C@@H](O)CCS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049777146 IF Annotated Anodyne CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000049783958 IF Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)C[C@@H](O)[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000049784040 IF Annotated Mild COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(NC(C)=O)ccc4[nH]3)C[C@H]3C[C@]123 ZINC000049785709 IF Annotated Mild COc1ccc(-c2ccc(N3C(=O)C(SCCO)=C(SCCO)C3=O)cc2)cc1 ZINC000049802930 IF Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(F)cc3)C[C@H]1[C@H](S(=O)(=O)O)N2 ZINC000049803419 IF Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(=O)NCCN(C)C)cc3)C[C@H]1C=N2 ZINC000049803873 IF Annotated Anodyne O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049808007 IF Annotated Bother COc1cccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N[C@@H](S(=O)(=O)O)[C@@H]3C2)c1 ZINC000049808656 IF Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O[C@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O ZINC000049864899 IF Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O ZINC000049864900 IF Annotated Anodyne CC(C)(C(=O)N[C@@H]1CCO[P@](=O)(N(CCCl)CCCl)N1)c1ccccc1N ZINC000049877460 IF Annotated Reactive CC(C)(C(=O)N[C@H]1CCO[P@](=O)(N(CCCl)CCCl)N1)c1ccccc1N ZINC000049877462 IF Annotated Reactive CC(C)(C(=O)N[C@@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1)c1ccccc1N ZINC000049877464 IF Annotated Reactive CC(C)(C(=O)N[C@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1)c1ccccc1N ZINC000049877467 IF Annotated Reactive COC(=O)C[C@H]1Nc2ccc(C(=O)N(C)Cc3cc4ccccc4n3C)cc2CN(C)C1=O ZINC000000589751 IF Annotated Anodyne Cc1nc(C)c(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCN(C)CC4)cccc2-3)s1 ZINC000000595002 IF Annotated Anodyne in-vivo COC(=O)C[C@@H]1Nc2ccc(C(=O)N(C)Cc3cc4ccccc4n3C)cc2CN(C)C1=O ZINC000000602890 IF Annotated Anodyne COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(c3ccccc3)C(=O)OC1)C2=O ZINC000000607553 IF Annotated Anodyne CCOC(=O)C1=NN[C@@]2(c3ccc(Cl)cc3)C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]12 ZINC000000631876 IF Annotated Anodyne CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C(=O)[C@@H]21 ZINC000000633444 IF Annotated Anodyne CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C(=O)[C@H]21 ZINC000000633450 IF Annotated Anodyne Cc1ccc(-n2ncc(C(=O)N3CCC(C(N)=O)CC3)c2NC(=O)c2ccco2)cc1C ZINC000000644277 IF Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2sc3nc(C)nc(N4CCOCC4)c3c2C)C1 ZINC000000752903 IF Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3nc(C)nc(N4CCOCC4)c3c2C)C1 ZINC000000752904 IF Annotated Anodyne Cc1cc(N)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000000755483 IF Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758522 IF Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758523 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758524 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758525 IF Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758526 IF Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758527 IF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758529 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000000760364 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000000760365 IF Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760374 IF Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760375 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760376 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760377 IF Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760382 IF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760383 IF Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760384 IF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760385 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000760569 IF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763237 IF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763238 IF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000765332 IF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000765333 IF Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000765334 IF Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000765335 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000000767108 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000000767109 IF Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000767143 IF Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000767144 IF Annotated Bother COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000767276 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000767278 IF Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767332 IF Annotated Bother CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767334 IF Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000768262 IF Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000768384 IF Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000768385 IF Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000768386 IF Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000768387 IF Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000768399 IF Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000768400 IF Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000768402 IF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000769953 IF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000769955 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c(OC)c1OC ZINC000000770086 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c(OC)c1OC ZINC000000770088 IF Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000770148 IF Annotated Bother CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000770150 IF Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000000770174 IF Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000000770176 IF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000770447 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000770449 IF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N(C)C ZINC000000771642 IF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N(C)C ZINC000000771644 IF Annotated Bother COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC000000772848 IF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000000773036 IF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000000773062 IF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000000773064 IF Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773877 IF Annotated Bother O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773878 IF Annotated Bother O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775465 IF Annotated Bother O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775466 IF Annotated Bother C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000000784995 IF Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000000786222 IF Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000790007 IF Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000790008 IF Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000790011 IF Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000790013 IF Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791279 IF Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791281 IF Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791283 IF Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791285 IF Annotated Anodyne Nc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1 ZINC000000791348 IF Annotated Clean Nc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1 ZINC000000791349 IF Annotated Clean Nc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1 ZINC000000791353 IF Annotated Clean Nc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1 ZINC000000791355 IF Annotated Clean COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000000792287 IF Annotated Anodyne O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 ZINC000000971911 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000005070204 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000005070213 IF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000005070217 IF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000005070333 IF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000005070336 IF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000005070342 IF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000005070345 IF Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCSCCO)ccc(NCCSCCO)c21 ZINC000005385615 IF Annotated Clean C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(=O)C(C)C)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 ZINC000523042095 IF Annotated Mild C=C[C@]1(C)[C@H](OC(C)=O)[C@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)C(C)C)[C@H]1C(=C)COC(C)=O ZINC000523042311 IF Annotated Mild biogenic COc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@]23CN(C)CCC3=O)cc1 ZINC000052565981 IF Annotated Anodyne COc1cc(OC)cc(C(=O)Nc2n[nH]c3c2CN(C(=O)[C@@H](OC)c2ccccc2)C3)c1 ZINC000053296011 IF Annotated Anodyne CCCOc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000053298349 IF Annotated Mild CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12 ZINC000053312902 IF Annotated Anodyne O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2c(=O)nc(S)[nH]c2[nH]1)c1ccccc1 ZINC000005545741 IF Annotated Bother N#CCCN(CCC#N)c1ccc(/C=C2\N=C(c3ccccc3)N(NC(N)=S)C2=O)cc1 ZINC000005582268 IF Annotated Mild COc1c2c(cc3oc(C)cc(=O)c13)OC(=N)[C@H](C(N)=O)[C@@H]2CC(=O)c1ccc(N)cc1 ZINC000005582341 IF Annotated Anodyne COc1c2c(cc3oc(C)cc(=O)c13)OC(=N)[C@H](C(N)=O)[C@H]2CC(=O)c1ccc(N)cc1 ZINC000005582343 IF Annotated Anodyne COc1c2c(cc3oc(C)cc(=O)c13)OC(=N)[C@@H](C(N)=O)[C@H]2CC(=O)c1ccc(N)cc1 ZINC000005582344 IF Annotated Anodyne Cn1c2c(c3ccccc31)CCN1C(=O)[C@@H]3S[C@]21[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000005582910 IF Annotated Anodyne CCCC[C@@H](Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1nnc(N)[nH]1)C(=O)OC ZINC000005729355 IF Annotated Anodyne CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@@H]12 ZINC000005767214 IF Annotated Bother CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@@H]12 ZINC000005767216 IF Annotated Bother CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(O)c(OC)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000005809256 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2cc(OC)c(O)c(OC)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000005809258 IF Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(O)c(OC)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000005809260 IF Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cc(OC)c(O)c(OC)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000005809262 IF Annotated Anodyne O=C(c1ccccc1)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F ZINC000005834363 IF Annotated Anodyne CCOc1ccc(NC(=O)/C(=N\NC(C)(C)C)[C@@H]2C(=O)Nc3ccccc3[S@@]2=O)cc1 ZINC000005834821 IF Annotated Mild CCOc1ccc(NC(=O)/C(=N\NC(C)(C)C)[C@H]2C(=O)Nc3ccccc3[S@@]2=O)cc1 ZINC000005834830 IF Annotated Mild COc1ccc2c(c1OC)C(=O)N/C2=C\c1c(CCN(C)C)cc2c(c1OC)OCO2 ZINC000005851338 IF Annotated Anodyne in-man endogenous C[C@H]1CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCCCC2)[C@]2(C)C(=O)C[C@@H](N3CCCCC3)[C@]12O ZINC000005882840 IF Annotated Anodyne C[C@H]1CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCCCC2)[C@]2(C)C(=O)C[C@H](N3CCCCC3)[C@]12O ZINC000005882842 IF Annotated Anodyne C[n+]1c2ccccc2c(/C=N\NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)c2ccccc21 ZINC000005883661 IF Annotated Mild O=C(O)CSc1nnc(CCCCCCCCc2nnc(SCC(=O)O)o2)o1 ZINC000005923509 IF Annotated Anodyne COC(=O)N1[C@H]2[C@@H](C[C@@]1(C)C(=O)OC)c1ccccc1N2S(=O)(=O)c1ccccc1 ZINC000005941631 IF Annotated Anodyne CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)c(OC)c1)CCO2 ZINC000055042536 IF Annotated Anodyne CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)c(OC)c1)CCO2 ZINC000055042537 IF Annotated Anodyne CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)cc1OC)CCO2 ZINC000055052719 IF Annotated Anodyne CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)cc1OC)CCO2 ZINC000055052723 IF Annotated Anodyne CC(C)c1cc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)nc(N)n1 ZINC000055074643 IF Annotated Anodyne CC(C)c1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)nc(N)n1 ZINC000055074644 IF Annotated Anodyne COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c(OC)n1 ZINC000055153053 IF Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c(OC)n1 ZINC000055153054 IF Annotated Anodyne Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055341069 IF Annotated Anodyne Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055341070 IF Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(CCc4ccc(O)cc4)[C@@H]2C(=O)N(C)[C@H]3C1)OCO5 ZINC000056871387 IF Annotated Anodyne in-vitro CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCCCC2)cc1 ZINC000058487801 IF Annotated Anodyne O=C(NNc1nc(N2CCCCC2)nc(N2CCc3ccccc3C2)n1)c1ccncc1 ZINC000058498642 IF Annotated Reactive O=C(CCl)Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O ZINC000584904945 IF Annotated Reactive COc1ncc(F)c(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)n1 ZINC000584905019 IF Annotated Anodyne CN(C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000584905181 IF Annotated Anodyne O=C(Nc1cccc(Br)n1)[C@@H]1SCCN1C(=O)Cn1ncc2ccccc21 ZINC000584905602 IF Annotated Anodyne CN(Cc1cc([C@H](CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(C)(=O)=O ZINC000584905756 IF Annotated Anodyne COc1ccccc1[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N ZINC000058504210 IF Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)Nc1ccccc1OC)C(=O)N(CC(=O)NO)CC1CCCC1 ZINC000058538277 IF Annotated Bother CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3cccc(CN4CCCS4(=O)=O)c3)cc2C1 ZINC000058541495 IF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@H](C[C@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000058549887 IF Annotated Anodyne CC(C)CN(NC(=O)c1ccc2nccnc2c1)c1nc(C#N)ncc1Br ZINC000058568672 IF Annotated Reactive COc1cc(/C=C2\N=C(N)N([C@H](CCO)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058576253 IF Annotated Anodyne CCCCCCCCO[C@H]1O[C@@H]2COC(=O)CCCCCCC(=O)O[C@H]2[C@H](O)[C@H]1O ZINC000058581108 IF Annotated Mild NS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCCCl)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000058581771 IF Annotated Reactive COc1cc(/C=C2\NC(=N)N([C@H](CO)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058581905 IF Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)c2ccccc2O)S(=O)(=O)N1Cc1ccccc1 ZINC000058583806 IF Annotated Anodyne Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000058590564 IF Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@H]3c4ccccc4C[C@@H]([C@H](C#N)N1[C@H]2CO)N3C ZINC000058591931 IF Annotated Mild COc1cc(/C=c2\[nH]c3n(c2=O)[C@H](c2ccc(F)cc2)CCCN=3)ccc1-n1cnc(C)c1 ZINC000058592490 IF Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1 ZINC000058598912 IF Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058604236 IF Annotated Anodyne C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1C[C@H]3O ZINC000058638808 IF Annotated Mild in-vitro CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CC(=O)NO)CO[C@H](CO)[C@H]1O ZINC000058661188 IF Annotated Mild CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O ZINC000058668889 IF Annotated Reactive CC(=O)N1CCC2(CC1)C[C@@H](NCCc1ccccc1F)c1cc(C(N)=O)ccc1O2 ZINC000058995230 IF Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586892040 IF Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586892055 IF Annotated Anodyne CC[C@H](O)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586900378 IF Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(S(=O)(=O)N5CCOCC5)ccc4[nH]3)oc12 ZINC000586903813 IF Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3CCOC3)nc1-2 ZINC000586911135 IF Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3CCOC3)nc1-2 ZINC000586911146 IF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4O[C@H]4C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586917832 IF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cccc(S(N)(=O)=O)c4[nH]3)c(=O)oc2c1C ZINC000586918919 IF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(N)(=O)=O)cc4[nH]3)c(=O)oc2c1C ZINC000586919126 IF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586919703 IF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586919906 IF Annotated Bother O=C(O)c1cc(Br)cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920099 IF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586920312 IF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586920640 IF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(I)cnc3[nH]2)cc1 ZINC000586920762 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2c1 ZINC000586920988 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586921182 IF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586921353 IF Annotated Anodyne O=S(=O)(CCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921454 IF Annotated Anodyne CC(C)Oc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br ZINC000586921682 IF Annotated Anodyne CC1=C(c2ccc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3c2)NNC(=O)C1 ZINC000586921902 IF Annotated Anodyne CCCOc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br ZINC000586922215 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)o1 ZINC000586922592 IF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CS(=O)(=O)Cc4ccnn4C)[nH]c3c2)cc1 ZINC000586922744 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(C(=O)OC)c4[nH]3)c2)o1 ZINC000586922800 IF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586922811 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)o1 ZINC000586923171 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)o1 ZINC000586923231 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)o1 ZINC000586923386 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)o1 ZINC000586923443 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C(=O)OC)cc4[nH]3)c2)o1 ZINC000586923719 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)o1 ZINC000586923794 IF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)o1 ZINC000586923795 IF Annotated Anodyne COc1cc(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924286 IF Annotated Unstable COc1cc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924321 IF Annotated Unstable COc1cc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924358 IF Annotated Unstable COc1cc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924373 IF Annotated Unstable CC1=C(c2ccc3nc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586924777 IF Annotated Anodyne COc1cc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586925469 IF Annotated Unstable COc1cc(Cc2nc3nc(Br)c[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586925481 IF Annotated Unstable COc1cc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(S(=O)(=O)Cl)c1OC ZINC000586925820 IF Annotated Unstable COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2cc1OC ZINC000586925896 IF Annotated Bother CS(=O)(=O)c1cc(-c2nc3nc(Br)c[nH]c-3n2)cc([N+](=O)[O-])c1Cl ZINC000586926310 IF Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000586926339 IF Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586926360 IF Annotated Unstable CCc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927661 IF Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586927856 IF Annotated Unstable COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1OC ZINC000586927881 IF Annotated Bother CN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928477 IF Annotated Bother CC1=C(c2ccc3nc(CN(C)S(=O)(=O)c4ccc(Cl)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586928523 IF Annotated Anodyne CN(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)S(=O)(=O)c1cccnc1 ZINC000586928717 IF Annotated Clean CN(Cc1nc2cc(C#N)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928994 IF Annotated Mild CN(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929030 IF Annotated Mild CN(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929120 IF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c1 ZINC000586929275 IF Annotated Anodyne CN(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929352 IF Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(I)cc2[nH]1 ZINC000586929371 IF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586929442 IF Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586929521 IF Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586929714 IF Annotated Bother COC(=O)c1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2c(F)c1Nc1ccccc1 ZINC000586929811 IF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)c1 ZINC000586930025 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(O)ncnc3[nH]2)c1 ZINC000586930132 IF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586930138 IF Annotated Bother CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000586930307 IF Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586930363 IF Annotated Clean NS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586930482 IF Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586930609 IF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000586930637 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000586930661 IF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)c1 ZINC000586930796 IF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586930899 IF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586930932 IF Annotated Clean Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(I)c2[nH]1 ZINC000586930984 IF Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c2)cc1 ZINC000586931263 IF Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(N)ncnc3[nH]2)c1 ZINC000586931286 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586931424 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586931647 IF Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2c1 ZINC000586931971 IF Annotated Anodyne Cc1nc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2cc1Br ZINC000586932190 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586932232 IF Annotated Anodyne Cc1c(Br)cnc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc12 ZINC000586932239 IF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(I)cnc2[nH]1)C(C)C ZINC000586933854 IF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(I)cnc2[nH]1)C(C)C ZINC000586933859 IF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(F)c2[nH]1 ZINC000586934406 IF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(F)c2[nH]1 ZINC000586934407 IF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586934635 IF Annotated Reactive CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586934637 IF Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccccc4[nH]3)cccc12 ZINC000586934662 IF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccccc4[nH]3)cccc12 ZINC000586934667 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586934746 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586934751 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586934752 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586934754 IF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(I)cccc3[nH]2)c1 ZINC000586934999 IF Annotated Anodyne Cc1cccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586935231 IF Annotated Anodyne Cc1cccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586935235 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc4nc(C)ccc4c3[nH]2)[C@@H](C)O)cc1 ZINC000586935517 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc4nc(C)ccc4c3[nH]2)[C@H](C)O)cc1 ZINC000586935524 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc4nc(C)ccc4c3[nH]2)[C@H](C)O)cc1 ZINC000586935527 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc4nc(C)ccc4c3[nH]2)[C@@H](C)O)cc1 ZINC000586935529 IF Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586935617 IF Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586935620 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586935638 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586935644 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586935645 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586935647 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H](C)O)cc1 ZINC000586936148 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@H](C)O)cc1 ZINC000586936150 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H](C)O)cc1 ZINC000586936151 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@H](C)O)cc1 ZINC000586936152 IF Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586936205 IF Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586936210 IF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586936465 IF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586936467 IF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586936487 IF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(I)ccc3[nH]2)c1 ZINC000586936499 IF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586936653 IF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)c1 ZINC000586936750 IF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)c1 ZINC000586936845 IF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586936867 IF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586936871 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586937286 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586937295 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586937297 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586937299 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937703 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586937705 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937707 IF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586937709 IF Annotated Anodyne CC(C)Oc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586937905 IF Annotated Anodyne CC(C)Oc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586937906 IF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586938074 IF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586938077 IF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586938092 IF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586938095 IF Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c1 ZINC000586938434 IF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1 ZINC000586938492 IF Annotated Bother CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1 ZINC000586938637 IF Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586938693 IF Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H](C)O)cc1 ZINC000586938697 IF Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586938699 IF Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H](C)O)cc1 ZINC000586938700 IF Annotated Bother CCCOc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586938955 IF Annotated Anodyne CCCOc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586938956 IF Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586939493 IF Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586939494 IF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940575 IF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940576 IF Annotated Mild COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1OC ZINC000586940780 IF Annotated Bother COc1cc(OC)c2[nH]c(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc2c1 ZINC000586940872 IF Annotated Bother COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000586940965 IF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940967 IF Annotated Bother Cc1c(Br)ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586940989 IF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940993 IF Annotated Bother O=S(=O)(NCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941003 IF Annotated Anodyne N#Cc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1C(F)(F)F ZINC000586941030 IF Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3c(F)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941049 IF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941145 IF Annotated Bother O=S(=O)(NCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941257 IF Annotated Anodyne Cc1cc(Br)cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941266 IF Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941319 IF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 ZINC000586941496 IF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 ZINC000586941499 IF Annotated Anodyne O=C(O)c1cc(F)cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586941524 IF Annotated Anodyne Cc1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586941600 IF Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941620 IF Annotated Anodyne CC1=C(c2ccc3nc(CNS(=O)(=O)/C=C\c4ccc(C)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586941682 IF Annotated Anodyne CC1=C(c2ccc3nc(CNS(=O)(=O)/C=C/c4ccc(C)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586941683 IF Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941780 IF Annotated Anodyne O=S(=O)(NCCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586941836 IF Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1OC ZINC000586941912 IF Annotated Anodyne O=S(=O)(NCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942117 IF Annotated Bother O=S(=O)(NCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942140 IF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12 ZINC000586942157 IF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586942169 IF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1[N+](=O)[O-] ZINC000586942177 IF Annotated Bother N[C@H](N=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942226 IF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942231 IF Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942238 IF Annotated Anodyne COC(=O)c1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942239 IF Annotated Anodyne O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1F ZINC000586942257 IF Annotated Bother COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942334 IF Annotated Anodyne COC(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000586942351 IF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586942432 IF Annotated Anodyne Cc1nc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2cc1Br ZINC000586942436 IF Annotated Anodyne Cc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586942456 IF Annotated Anodyne O=S(=O)(NCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942466 IF Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 ZINC000586942472 IF Annotated Anodyne COc1cc(OC)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 ZINC000586942555 IF Annotated Anodyne O=C(O)c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1F ZINC000586942620 IF Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942626 IF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586942826 IF Annotated Anodyne O=C1COc2cc3[nH]c(CCNS(=O)(=O)c4c(Cl)cccc4Cl)nc3cc2N1 ZINC000586942841 IF Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586942847 IF Annotated Mild Nc1ccc(-c2ccc3nc(CCNS(=O)(=O)c4ccc(Cl)nc4)[nH]c3c2)cc1N ZINC000586942856 IF Annotated Anodyne O=S(=O)(NCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Cl)nc1 ZINC000586942867 IF Annotated Anodyne O=S(=O)(NCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Br)s1 ZINC000586942870 IF Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942884 IF Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)s1 ZINC000586942989 IF Annotated Anodyne CN(C)C(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942990 IF Annotated Anodyne O=C1CCc2cc3nc(CNS(=O)(=O)c4ccc(Br)s4)[nH]c3cc2N1 ZINC000586943001 IF Annotated Anodyne O=S(=O)(NCCc1nc2c(S)nc(S)nc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943128 IF Annotated Anodyne N#Cc1nc(Cl)cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586943303 IF Annotated Mild Cc1nccc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc12 ZINC000586943898 IF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cnccc3[nH]2)c1 ZINC000586944117 IF Annotated Anodyne Cc1cncc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586944421 IF Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586944530 IF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586944573 IF Annotated Bother Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586944591 IF Annotated Bother Cc1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2n1 ZINC000586944753 IF Annotated Anodyne Cc1cnc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc2c1 ZINC000586944838 IF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cccc(O)c3[nH]2)c1 ZINC000586944878 IF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586944935 IF Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 ZINC000586945011 IF Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 ZINC000586945012 IF Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586945021 IF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c1 ZINC000586945145 IF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586945160 IF Annotated Clean Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586945222 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586945224 IF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(I)c2[nH]1 ZINC000586945270 IF Annotated Anodyne O=C1COc2cc3[nH]c(-c4sccc4S(=O)(=O)NCc4ccco4)nc3cc2N1 ZINC000586945632 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586945670 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586945673 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586945674 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586945675 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586945740 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586945742 IF Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586945998 IF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000586946039 IF Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586946066 IF Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586946067 IF Annotated Mild Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586946068 IF Annotated Mild O=[N+]([O-])c1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586946074 IF Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586946187 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586946239 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586946240 IF Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586946381 IF Annotated Anodyne N=c1[nH]c2nc(-c3sccc3S(=O)(=O)NCc3cccs3)nc-2c(Cl)[nH]1 ZINC000586946424 IF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(I)cc3[nH]2)cc1 ZINC000586946563 IF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000586946592 IF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586946772 IF Annotated Bother O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 ZINC000586946823 IF Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 ZINC000586946825 IF Annotated Anodyne O=C1CCc2cc3[nH]c(-c4ccc(S(=O)(=O)NC[C@@H]5CCCO5)cc4)nc3cc2N1 ZINC000586947026 IF Annotated Anodyne O=C1CCc2cc3[nH]c(-c4ccc(S(=O)(=O)NC[C@H]5CCCO5)cc4)nc3cc2N1 ZINC000586947029 IF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586947058 IF Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586947203 IF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586947204 IF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586947277 IF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(I)c3[nH]2)cc1 ZINC000586947454 IF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 ZINC000586948464 IF Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586948510 IF Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000586948903 IF Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000586949070 IF Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000586949095 IF Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cnnc(O)c2[nH]1 ZINC000586949116 IF Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(O)ncnc2[nH]1 ZINC000586949169 IF Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(N)ncnc2[nH]1 ZINC000586949427 IF Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000586949627 IF Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cc(I)cnc2[nH]1 ZINC000586950013 IF Annotated Anodyne CS(=O)(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586950168 IF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12 ZINC000586950307 IF Annotated Anodyne COC(=O)c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cn1 ZINC000586950652 IF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(I)c2[nH]1 ZINC000586950728 IF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(CCO)cc3[nH]2)c1 ZINC000586950876 IF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000586950892 IF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 ZINC000586951111 IF Annotated Bother O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000586951177 IF Annotated Anodyne O=S(=O)(Cc1nc2c(S)nc(S)nc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951241 IF Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2n1 ZINC000586951280 IF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586951422 IF Annotated Anodyne O=C1COc2cc3[nH]c(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)nc3cc2N1 ZINC000586951561 IF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586951688 IF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951694 IF Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 ZINC000586951976 IF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 ZINC000586952011 IF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(I)cnc3[nH]2)CC1 ZINC000586952036 IF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 ZINC000586952219 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(F)cnc3[nH]2)cc1 ZINC000586952233 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 ZINC000586952488 IF Annotated Anodyne O=C1COc2cc3[nH]c(-c4sccc4S(=O)(=O)Nc4cccnc4)nc3cc2N1 ZINC000586952711 IF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 ZINC000586953182 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccnc(O)c3[nH]2)cc1 ZINC000586953334 IF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 ZINC000586953784 IF Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586953878 IF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c1 ZINC000586953980 IF Annotated Anodyne N#Cc1nc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2nc1C#N ZINC000586954176 IF Annotated Mild CCCOc1cc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c2cc1Br ZINC000586954397 IF Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc12 ZINC000586954623 IF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586954634 IF Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4nc(C#N)c(C#N)nc4[nH]3)CC2)cc1 ZINC000586954688 IF Annotated Mild CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2N)C1 ZINC000586954745 IF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000586954762 IF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586954769 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4nc(Br)c[nH]c-4n3)CC2)cc1 ZINC000586954796 IF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CC1 ZINC000586954839 IF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3CCN(S(=O)(=O)CCC)CC3)[nH]c2c1 ZINC000586954841 IF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2N)C1 ZINC000586954966 IF Annotated Anodyne C=CCc1cccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586955024 IF Annotated Mild CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586955026 IF Annotated Anodyne Cc1nc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2cc1Br ZINC000586955161 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CC2)cc1 ZINC000586955174 IF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)CC1 ZINC000586955318 IF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2N)C1 ZINC000586955636 IF Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 ZINC000586955645 IF Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(=O)NN)cc4[nH]3)CC2)cc1 ZINC000586955870 IF Annotated Reactive O=S(=O)(c1ccc(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)c1)N1CCC1 ZINC000586955904 IF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2N)C1 ZINC000586955932 IF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cccc(Cl)c4[nH]3)CC2)CC1 ZINC000586956131 IF Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2n1 ZINC000586956416 IF Annotated Anodyne COc1ccc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956456 IF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccnc(Cl)c4[nH]3)c2c1)N1CCOCC1 ZINC000586956489 IF Annotated Anodyne COc1cc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2cc1C ZINC000586956492 IF Annotated Anodyne COc1ccc(Cc2nc3ccc(OC(C)C)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956518 IF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(Cl)ncc4[nH]3)c2c1)N1CCOCC1 ZINC000586956565 IF Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)c(F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956620 IF Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956674 IF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4c(Cl)ccnc4[nH]3)c2c1)N1CCOCC1 ZINC000586956684 IF Annotated Anodyne COc1ccc(Cc2nc3ccc4ncccc4c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956783 IF Annotated Anodyne COc1ccc(Cc2nc3ccc(SC)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956789 IF Annotated Anodyne COc1ccc(Cc2nc3cnc4ccccc4c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956817 IF Annotated Anodyne N=c1[nH]cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc-2[nH]1 ZINC000586956835 IF Annotated Anodyne COc1ccc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957052 IF Annotated Anodyne COc1ccc(Cc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957057 IF Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(Cl)cnc4[nH]3)c2c1)N1CCOCC1 ZINC000586957207 IF Annotated Anodyne C=CCc1cccc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c12 ZINC000586957271 IF Annotated Mild COc1ccc(Cc2nc3c(C)cnc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957321 IF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 ZINC000586957552 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586957563 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586957590 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586957591 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586957614 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586957620 IF Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4cccc(F)c4[nH]3)c2c1)N1CCOCC1 ZINC000586957814 IF Annotated Anodyne COC(=O)c1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000586957894 IF Annotated Mild COc1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1F ZINC000586957925 IF Annotated Mild NNC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958262 IF Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958264 IF Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958265 IF Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958268 IF Annotated Reactive Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586958339 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586958602 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586958657 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586958667 IF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586958761 IF Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586958763 IF Annotated Bother C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586959038 IF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586959039 IF Annotated Anodyne COC(=O)c1cccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586959071 IF Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586959223 IF Annotated Clean C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586959229 IF Annotated Clean COc1cccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586959240 IF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586959307 IF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586959312 IF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586959551 IF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000586959561 IF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000586959562 IF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586959566 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586959576 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586959599 IF Annotated Mild NS(=O)(=O)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586959642 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586959650 IF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586959702 IF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586960020 IF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586960023 IF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586960411 IF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586960447 IF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586960455 IF Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586960456 IF Annotated Bother Cc1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2cc1F ZINC000586960691 IF Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc2c1 ZINC000586961421 IF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(F)cc(F)c4[nH]3)c2c1)N1CCOCC1 ZINC000586961443 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586961626 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586961627 IF Annotated Anodyne Cc1c(F)ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586962681 IF Annotated Anodyne N#Cc1nc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2nc1C#N ZINC000586962728 IF Annotated Mild N#Cc1nc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2nc1C#N ZINC000586962735 IF Annotated Mild N#Cc1nc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2nc1C#N ZINC000586962737 IF Annotated Mild N#Cc1nc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2nc1C#N ZINC000586962739 IF Annotated Mild CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586963459 IF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586963460 IF Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)ccc1Cl ZINC000586963509 IF Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586964948 IF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000586964982 IF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2nc(Br)c[nH]c-2n1 ZINC000586965446 IF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(S(=O)(=O)CC)cc2[nH]1 ZINC000586965719 IF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000586965782 IF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586965783 IF Annotated Bother Oc1cc(O)nc(SCc2nc3c(I)cnc(Cl)c3[nH]2)n1 ZINC000586966174 IF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nc(O)cc(O)n3)nc2c1 ZINC000586966577 IF Annotated Anodyne Oc1cc(O)nc(SCc2nc3c(Br)cnc(Br)c3[nH]2)n1 ZINC000586967314 IF Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(O)nc(N)nc3[nH]2)c1C=O ZINC000586968107 IF Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(O)nc3[nH]2)C[C@@H](C)O1 ZINC000586970049 IF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(O)nc3[nH]2)C[C@@H](C)O1 ZINC000586970050 IF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(O)nc3[nH]2)C[C@H](C)O1 ZINC000586970051 IF Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586973705 IF Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586973706 IF Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586974955 IF Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586974956 IF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(S)nc(S)nc3[nH]2)cc1OC ZINC000586975245 IF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(S)nc(S)nc3[nH]2)cc1OC ZINC000586975246 IF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1OC ZINC000586975341 IF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1OC ZINC000586975351 IF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1OC ZINC000586976024 IF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1OC ZINC000586976026 IF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3nc(Br)c[nH]c-3n2)cc1OC ZINC000586976596 IF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3nc(Br)c[nH]c-3n2)cc1OC ZINC000586976599 IF Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(O)ncnc2[nH]1 ZINC000586976756 IF Annotated Anodyne Nc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cn1 ZINC000586977771 IF Annotated Anodyne Nc1nccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978439 IF Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cnnc(O)c2[nH]1 ZINC000586978563 IF Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586979884 IF Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586980489 IF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586984420 IF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984540 IF Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984544 IF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985796 IF Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985798 IF Annotated Anodyne Cn1c(=O)c2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)n(C)c2n(C)c1=O ZINC000586987583 IF Annotated Anodyne COC(=O)[C@@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990865 IF Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990866 IF Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OC)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990867 IF Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@@H](C(=O)OC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990868 IF Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586998124 IF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586999698 IF Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(C#N)c(C#N)[nH]c-4n3)cc2cc1Br ZINC000586999726 IF Annotated Mild O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000587000082 IF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587000323 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000575 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000576 IF Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587000587 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001132 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001133 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587001942 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587001943 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587001954 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587001955 IF Annotated Anodyne O=C1COc2cc3[nH]c(CCN4C(=O)COc5cc(Br)ccc54)nc3cc2N1 ZINC000587002066 IF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587002285 IF Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002964 IF Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002968 IF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587003649 IF Annotated Anodyne O=c1c(-c2nc3c(O)nc(S)nc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006407 IF Annotated Anodyne N#Cc1nc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc-2[nH]c1C#N ZINC000587006728 IF Annotated Mild O=C(Nc1ccc(Cc2nc3c(O)nc(O)nc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007301 IF Annotated Anodyne Nc1nc(O)c2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2n1 ZINC000587008366 IF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C(C)(C)NC(=O)CCl)[nH]c3c2)cc1 ZINC000587009500 IF Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)CCl)nc1-2 ZINC000587012206 IF Annotated Reactive CN(C)S(=O)(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587013901 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587014264 IF Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)s1 ZINC000587014780 IF Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)s1 ZINC000587014781 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587016724 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587017217 IF Annotated Anodyne O=C(c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587017318 IF Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1)N1CCOCC1 ZINC000587017487 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 ZINC000587018888 IF Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020086 IF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)s1 ZINC000587023497 IF Annotated Anodyne CC1=C(c2ccc3nc(Cc4nnc(NC(=O)OC(C)(C)C)s4)[nH]c3c2)NNC(=O)C1 ZINC000587023500 IF Annotated Anodyne O=C(CCc1nc2nc(Br)c[nH]c-2n1)Nc1nnc(-c2ccncc2)s1 ZINC000587023833 IF Annotated Anodyne COC(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1OC ZINC000587024264 IF Annotated Anodyne CN1CCN(c2ccc3nc(Cc4nnc(NC(=O)OC(C)(C)C)s4)[nH]c3c2)CC1 ZINC000587024383 IF Annotated Anodyne COC(=O)c1cc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2cc1OC ZINC000587024430 IF Annotated Anodyne CN1CCN(c2ccc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c3c2)CC1 ZINC000587024558 IF Annotated Anodyne O=C(CCc1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587025488 IF Annotated Anodyne O=C(CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587026187 IF Annotated Bother CCS(=O)(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587026456 IF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 ZINC000587027279 IF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CNC(=O)c4cscn4)[nH]c3c2)cc1 ZINC000587027482 IF Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587027911 IF Annotated Anodyne Cc1c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029105 IF Annotated Anodyne Cc1c(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029455 IF Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccnc(N)c4[nH]3)ccc2s1 ZINC000587033447 IF Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(N)ncc4[nH]3)ccc2s1 ZINC000587033614 IF Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cnnc(O)c4[nH]3)ccc2s1 ZINC000587033743 IF Annotated Anodyne O=C(c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587036616 IF Annotated Anodyne O=C(c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587036617 IF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc12 ZINC000587037119 IF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc12 ZINC000587037123 IF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc12 ZINC000587038316 IF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc12 ZINC000587038317 IF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1)N1CCOCC1 ZINC000587040656 IF Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1)N1CCOCC1 ZINC000587040657 IF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1)N1CCOCC1 ZINC000587040659 IF Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1)N1CCOCC1 ZINC000587040660 IF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccccc2[nH]1 ZINC000587045764 IF Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587056745 IF Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587056747 IF Annotated Reactive COCCN1C(=O)CC[C@H](c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062227 IF Annotated Reactive COCCN1C(=O)CC[C@H](c2nc3nc(C#N)c(C#N)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063285 IF Annotated Mild NS(=O)(=O)c1cccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 ZINC000587064013 IF Annotated Anodyne NS(=O)(=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 ZINC000587064093 IF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1)N1CCOCC1 ZINC000587076173 IF Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1)N1CCOCC1 ZINC000587076174 IF Annotated Anodyne Cc1onc(-c2nc3nc(Br)c[nH]c-3n2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078894 IF Annotated Bother Cc1onc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079026 IF Annotated Bother Cc1onc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079313 IF Annotated Bother Cc1onc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080116 IF Annotated Bother O=C(c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587080663 IF Annotated Anodyne O=C(c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587080664 IF Annotated Anodyne O=C(c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587080956 IF Annotated Anodyne O=C(CCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081784 IF Annotated Anodyne O=C1COc2cc3[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc3cc2N1 ZINC000587088732 IF Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587089103 IF Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587089245 IF Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587090899 IF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091015 IF Annotated Bother O=[N+]([O-])c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)nn1CC(F)(F)F ZINC000587091083 IF Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(I)cnc3[nH]2)nn1CC(F)(F)F ZINC000587091097 IF Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(O)nc(O)nc3[nH]2)CC1 ZINC000587091694 IF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(F)(F)F ZINC000587091933 IF Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(F)(F)F ZINC000587091934 IF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1)N1CCOCC1 ZINC000587092267 IF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(F)(F)F ZINC000587092877 IF Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(F)(F)F ZINC000587092880 IF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1)N1CCOCC1 ZINC000587093080 IF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)C(F)(F)F)n1 ZINC000587093445 IF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)C(F)(F)F)n1 ZINC000587093454 IF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)C(F)(F)F)n1 ZINC000587094094 IF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)C(F)(F)F)n1 ZINC000587094095 IF Annotated Anodyne Nc1ccc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095704 IF Annotated Anodyne COC(=O)c1nnn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C(=O)OC ZINC000587097679 IF Annotated Anodyne COC(=O)c1nnn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C(=O)OC ZINC000587105267 IF Annotated Anodyne O=C(c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587107973 IF Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4nc(Br)c[nH]c-4n3)n2)cc1 ZINC000587113800 IF Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587114875 IF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587114877 IF Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(O)nc(N)nc4[nH]3)cc2)c1C(F)(F)F ZINC000587115317 IF Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587116343 IF Annotated Anodyne N#Cc1nc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc-2[nH]c1C#N ZINC000587118065 IF Annotated Mild CC1=C(c2ccc3nc(Cn4nc(C(F)(F)F)c([N+](=O)[O-])c4C)[nH]c3c2)NNC(=O)C1 ZINC000587118382 IF Annotated Bother FC(F)(F)c1nn(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1Br ZINC000587119046 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119241 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587119806 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119986 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587120322 IF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587120917 IF Annotated Anodyne COC(=O)c1cc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2cc1OC ZINC000587121158 IF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587121220 IF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587121229 IF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2N1 ZINC000587123575 IF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2N1 ZINC000587123578 IF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2N1 ZINC000587123579 IF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2N1 ZINC000587123580 IF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc2N1 ZINC000587124109 IF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc2N1 ZINC000587124110 IF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc2N1 ZINC000587124111 IF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc2N1 ZINC000587124112 IF Annotated Anodyne C[C@H](F)[C@H](N)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587125622 IF Annotated Anodyne C[C@H](F)[C@@H](N)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587125625 IF Annotated Anodyne C[C@@H](F)[C@@H](N)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587125627 IF Annotated Anodyne C[C@@H](F)[C@H](N)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587125629 IF Annotated Anodyne O=S(=O)(c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1)N1CCOCC1 ZINC000587126035 IF Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4cccnc4S(=O)(=O)C(F)(F)F)nc3c2)NNC(=O)C1 ZINC000587127319 IF Annotated Anodyne COC(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1OC ZINC000587127816 IF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(N)c(N)cc5[nH]4)nc3n2)cn1 ZINC000587128745 IF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587129623 IF Annotated Anodyne Cn1nc(-c2nc3c(O)nc(O)nc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130041 IF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccnc(O)c5[nH]4)nc3n2)cn1 ZINC000587130988 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132093 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132094 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132783 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132784 IF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587133824 IF Annotated Anodyne Cc1c(Br)cnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 ZINC000587133840 IF Annotated Anodyne Cc1nc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2cc1Br ZINC000587134005 IF Annotated Anodyne O=S(=O)(NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(F)c(F)c1F ZINC000587134074 IF Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134095 IF Annotated Anodyne CCOC(=O)Cc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134339 IF Annotated Anodyne O=S(=O)(NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134377 IF Annotated Anodyne O=S(=O)(NCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134646 IF Annotated Anodyne O=C(c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587138358 IF Annotated Anodyne O=C(c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587139075 IF Annotated Bother O=S(=O)(c1cc(Br)cc(-c2nc3cnccc3[nH]2)c1F)N1CCOCC1 ZINC000587140239 IF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cccnc3[nH]2)c1F)N1CCOCC1 ZINC000587140298 IF Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587140383 IF Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587140384 IF Annotated Mild N#Cc1nc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2nc1C#N ZINC000587140632 IF Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2c1 ZINC000587142006 IF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2c1 ZINC000587142406 IF Annotated Anodyne O=C(c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587143149 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587144204 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587144206 IF Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587148829 IF Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587148832 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587150818 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587150829 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150938 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150941 IF Annotated Anodyne O=C(c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587152084 IF Annotated Anodyne O=C(c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587152085 IF Annotated Anodyne O=C(c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587152086 IF Annotated Anodyne O=C(c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587152087 IF Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587154274 IF Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587154275 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 ZINC000587156343 IF Annotated Anodyne NNC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587156928 IF Annotated Reactive O=S(=O)(c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1)N1CCOCC1 ZINC000587156969 IF Annotated Anodyne N#Cc1nc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2nc1C#N ZINC000587158444 IF Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587162185 IF Annotated Anodyne O=C1CC=C(c2nc3cc(I)cnc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162320 IF Annotated Anodyne CC1=C(c2ccc3nc(C4=CCC(=O)N(Cc5ccc(F)cc5)N4)[nH]c3c2)NNC(=O)C1 ZINC000587162469 IF Annotated Anodyne NNC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587166836 IF Annotated Reactive N#Cc1nc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2nc1C#N ZINC000587168199 IF Annotated Mild CN(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169697 IF Annotated Anodyne COC(=O)c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cn1 ZINC000587170202 IF Annotated Anodyne COC(=O)c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cn1 ZINC000587170203 IF Annotated Anodyne COC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 ZINC000587170379 IF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 ZINC000587170380 IF Annotated Anodyne CN(Cc1nc2cc(I)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170407 IF Annotated Anodyne N#Cc1nc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2nc1C#N ZINC000587170639 IF Annotated Mild N=c1[nH]c2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587170772 IF Annotated Anodyne N=c1[nH]c2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587170779 IF Annotated Anodyne CN(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170984 IF Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587171178 IF Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587171179 IF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 ZINC000587171748 IF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 ZINC000587171750 IF Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)cc1 ZINC000587172071 IF Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)cc1 ZINC000587172072 IF Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnnc(O)c4[nH]2)cn3C2CC2)CC1 ZINC000587172295 IF Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(N)ncc4[nH]2)cn3C2CC2)CC1 ZINC000587172372 IF Annotated Anodyne Nc1ncnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172558 IF Annotated Anodyne Nc1ncnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172559 IF Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(N)c4[nH]2)cn3C2CC2)CC1 ZINC000587173327 IF Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ncc[nH]c-4n2)cn3C2CC2)CC1 ZINC000587173364 IF Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(O)ncnc4[nH]2)cn3C2CC2)C1 ZINC000587173423 IF Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(O)ncnc4[nH]2)cn3C2CC2)C1 ZINC000587173424 IF Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnnc(O)c4[nH]2)cn3C2CC2)C1 ZINC000587173449 IF Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnnc(O)c4[nH]2)cn3C2CC2)C1 ZINC000587173450 IF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1)N1CCOCC1 ZINC000587177881 IF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587178360 IF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587179454 IF Annotated Anodyne Cn1nc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(I)c1C(=O)O ZINC000587179466 IF Annotated Anodyne Cn1nc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587179480 IF Annotated Mild Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)cc(C#N)cc2[nH]1 ZINC000587179533 IF Annotated Mild Cn1nc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587179583 IF Annotated Anodyne Cn1nc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(I)c1C(=O)O ZINC000587179589 IF Annotated Bother Cn1nc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(I)c1C(=O)O ZINC000587179646 IF Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(I)c1C(=O)O ZINC000587179653 IF Annotated Anodyne Cn1nc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587179787 IF Annotated Anodyne Cn1nc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(I)c1C(=O)O ZINC000587179824 IF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 ZINC000587179842 IF Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2ncc(Cl)c(Cl)c2[nH]1 ZINC000587180125 IF Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(I)c1C(=O)O ZINC000587180198 IF Annotated Anodyne Cn1nc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(I)c1C(=O)O ZINC000587180209 IF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncc(C(F)(F)F)cc2[nH]1 ZINC000587180424 IF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587180484 IF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cnc(C(F)(F)F)cc2[nH]1 ZINC000587180537 IF Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000587180618 IF Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000587180619 IF Annotated Anodyne COc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1Cl ZINC000587180630 IF Annotated Anodyne COc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cc1Cl ZINC000587180649 IF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)nc(Cl)cc2[nH]1 ZINC000587180705 IF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)ncc(Cl)c2[nH]1 ZINC000587180712 IF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(Cl)c(Cl)cc2[nH]1 ZINC000587180759 IF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587180825 IF Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(S(N)(=O)=O)cccc2[nH]1 ZINC000587181031 IF Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(S(N)(=O)=O)cccc2[nH]1 ZINC000587181032 IF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(C(C)(C)C)ccc2[nH]1 ZINC000587181197 IF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cccc(Br)c3[nH]2)n1 ZINC000587181757 IF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587181800 IF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587181801 IF Annotated Anodyne N#Cc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1C(F)(F)F ZINC000587181884 IF Annotated Mild Cc1nc2[nH]c(-c3nc(O)nc(O)c3I)nc2cc1Br ZINC000587181894 IF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(Br)cc3[nH]2)n1 ZINC000587181902 IF Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Cl ZINC000587181905 IF Annotated Bother Oc1nc(O)c(I)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)n1 ZINC000587181947 IF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)n1 ZINC000587181955 IF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587183124 IF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587183127 IF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)n1 ZINC000587183180 IF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(Br)c(O)c3[nH]2)n1 ZINC000587183460 IF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587183659 IF Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587183660 IF Annotated Anodyne CC[C@H](c1nc2ccc(C(=O)OC)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184063 IF Annotated Anodyne CC[C@@H](c1nc2ccc(C(=O)OC)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184064 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587184171 IF Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587184172 IF Annotated Anodyne CC1=C(c2ccc3nc(-c4cncc(I)c4)[nH]c3c2)NNC(=O)C1 ZINC000587184253 IF Annotated Anodyne COc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1Cl ZINC000587184274 IF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Br)cccc3[nH]2)n1 ZINC000587184307 IF Annotated Anodyne CC[C@H](c1nc2c(C(=O)OC)ccnc2[nH]1)n1cc(I)c(C)n1 ZINC000587184381 IF Annotated Anodyne CC[C@@H](c1nc2c(C(=O)OC)ccnc2[nH]1)n1cc(I)c(C)n1 ZINC000587184382 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587184446 IF Annotated Anodyne NS(=O)(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587184447 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1I ZINC000587184455 IF Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 ZINC000587184456 IF Annotated Mild O=C(O)c1nn(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1I ZINC000587184469 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1I ZINC000587184820 IF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587184821 IF Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587184822 IF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)n1 ZINC000587184960 IF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587184963 IF Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587184972 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1I ZINC000587185041 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1I ZINC000587185052 IF Annotated Bother CC[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185064 IF Annotated Anodyne CC[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185066 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1I ZINC000587185267 IF Annotated Anodyne CC[C@H](c1nc2cc(C(=O)OC)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587185304 IF Annotated Anodyne CC[C@@H](c1nc2cc(C(=O)OC)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587185305 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1I ZINC000587185319 IF Annotated Anodyne CC(C)Oc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587185375 IF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n1 ZINC000587185449 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(Br)cc3[nH]2)cc1I ZINC000587185547 IF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587185571 IF Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587185572 IF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)n1 ZINC000587185664 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3cccc(Br)c3[nH]2)cc1I ZINC000587185675 IF Annotated Anodyne Cc1ccc2c(ccc3nc(Cn4cc(I)c(C(=O)O)n4)[nH]c32)n1 ZINC000587185819 IF Annotated Anodyne CC(C)(C)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2n1 ZINC000587185909 IF Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3nccnc3I)nc-2[nH]1 ZINC000587185950 IF Annotated Anodyne CC[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186014 IF Annotated Anodyne CC[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186020 IF Annotated Anodyne Ic1cnc2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186079 IF Annotated Anodyne O=C(O)c1nn(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1I ZINC000587186143 IF Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2n1 ZINC000587186162 IF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n1 ZINC000587186167 IF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)n1 ZINC000587186176 IF Annotated Anodyne COc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cc1Cl ZINC000587186317 IF Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4nn(CC(=O)O)cc4I)nc32)n1 ZINC000587186485 IF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)n1 ZINC000587186530 IF Annotated Bother O=C(O)Cn1cc(I)c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)n1 ZINC000587186549 IF Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c1 ZINC000587186559 IF Annotated Mild O=C(O)Cn1cc(I)c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)n1 ZINC000587186589 IF Annotated Anodyne Brc1c[nH]c2nc(-c3ccc4ncc(I)n4c3)nc-2n1 ZINC000587186895 IF Annotated Anodyne Sc1nc(S)c2nc(-c3ccc4ncc(I)n4c3)[nH]c2n1 ZINC000587187147 IF Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccc5ncc(I)n5c4)nc3cc2N1 ZINC000587187559 IF Annotated Anodyne C[C@H](Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)N(C)C ZINC000587192546 IF Annotated Anodyne C[C@@H](Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)N(C)C ZINC000587192552 IF Annotated Anodyne C#CCN(Cc1nc2c(O)nc(N)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193145 IF Annotated Mild CC1=C(c2ccc3nc(CCN(CCC(=O)O)Cc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587193555 IF Annotated Anodyne CN(CCc1nc2c(O)nc(N)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194371 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587197083 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587197084 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197681 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197682 IF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587203036 IF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587203037 IF Annotated Anodyne C=C(NC(C)=O)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587203328 IF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 ZINC000587204651 IF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 ZINC000587204653 IF Annotated Anodyne O=C(O)Cc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cccc3c2c1CC3 ZINC000587216455 IF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587217262 IF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587217269 IF Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587217354 IF Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587217357 IF Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587217358 IF Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587217359 IF Annotated Bother COc1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587220400 IF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587225291 IF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587225294 IF Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587225444 IF Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587225449 IF Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587225451 IF Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587225453 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1 ZINC000587225776 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1 ZINC000587225777 IF Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2c1OC ZINC000587226708 IF Annotated Anodyne N#Cc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587226923 IF Annotated Mild N#Cc1cc(Br)c2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc2c1 ZINC000587227567 IF Annotated Mild O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587227806 IF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1 ZINC000587227919 IF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1 ZINC000587228089 IF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587228112 IF Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 ZINC000587228943 IF Annotated Anodyne O=C(O)CNCCNCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587229223 IF Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587229274 IF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Br)nc3[nH]2)c1 ZINC000587229465 IF Annotated Anodyne O=C(O)CNCCNCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587229612 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587229728 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587229731 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587229732 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587229733 IF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cncc(Br)c3[nH]2)c1 ZINC000587229771 IF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230812 IF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230814 IF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230816 IF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230817 IF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587230969 IF Annotated Anodyne CCOC(=O)c1ccc2nc(CCC(=O)Nc3cccc(C(=O)NCCOC)c3)[nH]c2c1 ZINC000587231087 IF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587231340 IF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587231341 IF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587231342 IF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587231343 IF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccnc(Br)c3[nH]2)c1 ZINC000587232063 IF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(Br)ccnc3[nH]2)c1 ZINC000587232083 IF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587232579 IF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587232580 IF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587232581 IF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587232582 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 ZINC000587234449 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 ZINC000587234494 IF Annotated Anodyne CC1=C(c2ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(O)CC4)[nH]c3c2)NNC(=O)C1 ZINC000587237222 IF Annotated Anodyne CN1CCN(c2ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(O)CC4)[nH]c3c2)CC1 ZINC000587237586 IF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240494 IF Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240495 IF Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240496 IF Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240497 IF Annotated Reactive Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000587244488 IF Annotated Anodyne NCCOCCOCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587246374 IF Annotated Anodyne NCCOCCOCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587246659 IF Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3CC[C@@H]3N)nc1-2 ZINC000587247247 IF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 ZINC000587247435 IF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 ZINC000587247438 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 ZINC000587247816 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 ZINC000587247817 IF Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCOC1 ZINC000587248362 IF Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCOC1 ZINC000587248363 IF Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)C3CC3)nc1-2 ZINC000587255466 IF Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CC3CC(N)C3)nc1-2 ZINC000587255826 IF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587256468 IF Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1cccc2ccccc12 ZINC000587258455 IF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2c1 ZINC000587260193 IF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587260452 IF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587260607 IF Annotated Anodyne O=CC(C=O)c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1[N+](=O)[O-] ZINC000587262021 IF Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(I)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000587262527 IF Annotated Mild N#Cc1nc(Cl)cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 ZINC000587262774 IF Annotated Mild NC(=O)c1cc(N2CCC(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262921 IF Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CC2)ccc1[N+](=O)[O-] ZINC000587262923 IF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587263483 IF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587263484 IF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587263485 IF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587263486 IF Annotated Bother COc1cc(OC)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 ZINC000587263722 IF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263884 IF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263888 IF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263890 IF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263891 IF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587265071 IF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587265410 IF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587265413 IF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587265414 IF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587265415 IF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587265476 IF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587265478 IF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587265479 IF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587265481 IF Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(I)cnc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265557 IF Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000587265850 IF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587266362 IF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587266424 IF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587266706 IF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587266710 IF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587266712 IF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587266714 IF Annotated Bother CCS(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587266914 IF Annotated Bother CCS(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587266915 IF Annotated Bother CCS(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587266916 IF Annotated Bother CCS(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587266919 IF Annotated Bother COC(=O)c1cc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1OC ZINC000587267166 IF Annotated Bother COC(=O)c1cc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1OC ZINC000587267170 IF Annotated Bother COC(=O)c1cc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1OC ZINC000587267172 IF Annotated Bother COC(=O)c1cc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1OC ZINC000587267174 IF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587267203 IF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587267204 IF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587267206 IF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587267208 IF Annotated Bother COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1OC ZINC000587267356 IF Annotated Bother COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1OC ZINC000587267358 IF Annotated Bother COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1OC ZINC000587267359 IF Annotated Bother COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1OC ZINC000587267360 IF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268259 IF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587268886 IF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)nn2)c1 ZINC000587268944 IF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(I)cnc4[nH]3)nn2)c1 ZINC000587269104 IF Annotated Bother N[C@@H](CCc1nc2c(F)cnc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269350 IF Annotated Bother Cc1c(Br)cnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587269597 IF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587269836 IF Annotated Bother Cc1nc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1Br ZINC000587270055 IF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587270236 IF Annotated Bother N[C@@H](CCc1nc2ccc(Br)c(O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270584 IF Annotated Bother N[C@@H](CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271034 IF Annotated Bother Cc1cc(Br)cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271715 IF Annotated Bother Cc1c(Br)cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1C ZINC000587271812 IF Annotated Bother Cc1cc(Br)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587272247 IF Annotated Bother Nc1ccc(Oc2ccc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 ZINC000587272514 IF Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c3c2)cc1 ZINC000587272818 IF Annotated Bother C[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)N1C(=O)c2ccccc2C1=O ZINC000587272909 IF Annotated Anodyne C[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)N1C(=O)c2ccccc2C1=O ZINC000587272910 IF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1 ZINC000587273592 IF Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3c(I)cnc(Cl)c3[nH]2)n1 ZINC000587273736 IF Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587273849 IF Annotated Bother Cc1c(Br)ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587274117 IF Annotated Bother O=C(CCN1C(=O)c2ccccc2C1=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274710 IF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc([N+](=O)[O-])nn4C)[nH]c3c2)cc1 ZINC000587274774 IF Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 ZINC000587275120 IF Annotated Bother C=C1C=C(C(F)F)N2N=C(C(=O)c3c(CO)oc4cc(Br)cnc34)NC2=N1 ZINC000587275535 IF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587275741 IF Annotated Anodyne O=C(c1cccc(N2C(=O)C=CC2=O)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275790 IF Annotated Anodyne O=C(c1ccc(N2C(=O)C=CC2=O)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276638 IF Annotated Anodyne CN(C)S(=O)(=O)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587276731 IF Annotated Anodyne O=C(CCl)OCC1=CC(=O)[C@@]2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325296 IF Annotated Reactive O=C(CCl)OCC1=CC(=O)[C@]2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325297 IF Annotated Reactive O=C(CCl)OCC1=CC(=O)[C@@]2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325298 IF Annotated Reactive O=C(CCl)OCC1=CC(=O)[C@]2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325300 IF Annotated Reactive O=C(CCl)OCC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1 ZINC000587326346 IF Annotated Reactive O=C(CCl)OCC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1 ZINC000587326347 IF Annotated Reactive O=C(CCl)OCC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1 ZINC000587326348 IF Annotated Reactive O=C(CCl)OCC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1 ZINC000587326349 IF Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327476 IF Annotated Reactive O=C1C(=O)[C@H](Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@H]1Cl ZINC000587327482 IF Annotated Reactive O=C1C(=O)[C@H](Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)[C@@H]1Cl ZINC000587327486 IF Annotated Reactive O=C1C(=O)[C@H](Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@@H]1Cl ZINC000587327501 IF Annotated Reactive NC(=O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333829 IF Annotated Anodyne NC(=O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333831 IF Annotated Anodyne NC(=O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333834 IF Annotated Anodyne NC(=O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333838 IF Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341367 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341371 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341372 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341374 IF Annotated Mild COC(=O)C(=O)C[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341455 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341461 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341464 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341468 IF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341778 IF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341779 IF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341780 IF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341781 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341923 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341924 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341925 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341926 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342070 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342072 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342074 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342077 IF Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 ZINC000587344172 IF Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 ZINC000587344175 IF Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 ZINC000587344176 IF Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 ZINC000587344178 IF Annotated Anodyne Cn1cc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587345198 IF Annotated Anodyne Cn1cc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587345199 IF Annotated Anodyne Cn1cc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587345201 IF Annotated Anodyne Cn1cc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587345203 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345390 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345393 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345397 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345402 IF Annotated Anodyne C[C@]1(CC(=O)ON2C(=O)CCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345442 IF Annotated Mild C[C@@]1(CC(=O)ON2C(=O)CCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345445 IF Annotated Mild C[C@]1(CC(=O)ON2C(=O)CCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345447 IF Annotated Mild C[C@@]1(CC(=O)ON2C(=O)CCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345448 IF Annotated Mild O=C(O)c1cnc2n(c1=O)C=CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348738 IF Annotated Anodyne O=C(O)c1cnc2n(c1=O)C=CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348746 IF Annotated Anodyne O=C(O)c1cnc2n(c1=O)C=CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348750 IF Annotated Anodyne O=C(O)c1cnc2n(c1=O)C=CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348753 IF Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587365499 IF Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587365504 IF Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587366115 IF Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587366116 IF Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587367315 IF Annotated Anodyne O=C1CCc2cc3c(O)nc(O)nc3nc2[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587367912 IF Annotated Bother O=C1CCc2cc3c(O)nc(O)nc3nc2[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587367913 IF Annotated Bother COc1cc2c(cc1OC)C(=O)N(Cc1ccc3c(O)nc(O)nc3n1)/C(=C\Cl)N2 ZINC000587369112 IF Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1ccc3c(O)nc(O)nc3n1)/C(=C/Cl)N2 ZINC000587369113 IF Annotated Anodyne Nc1ccccc1[C@@]1(CS(N)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369332 IF Annotated Anodyne Nc1ccccc1[C@]1(CS(N)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369333 IF Annotated Anodyne Nc1ccccc1[C@@]1(CS(N)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369334 IF Annotated Anodyne Nc1ccccc1[C@]1(CS(N)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369335 IF Annotated Anodyne O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587369857 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CN1C(=O)c3ccccc3C1=O)O2 ZINC000587371504 IF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CN1C(=O)c3ccccc3C1=O)O2 ZINC000587371508 IF Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372302 IF Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372312 IF Annotated Reactive COC(=O)C(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372315 IF Annotated Reactive COC(=O)C(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372392 IF Annotated Reactive CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374628 IF Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374638 IF Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374642 IF Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374646 IF Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(N)=O ZINC000587377191 IF Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(N)=O ZINC000587377197 IF Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587378254 IF Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587378264 IF Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587384749 IF Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587384750 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[N+](=O)[O-])(c1ncn(Cc3ccccc3)c1[N+](=O)[O-])O2 ZINC000587388455 IF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C[N+](=O)[O-])(c1ncn(Cc3ccccc3)c1[N+](=O)[O-])O2 ZINC000587388456 IF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(CCC(=O)N3CCOCC3)c1C)O2 ZINC000587392250 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(CCC(=O)N3CCOCC3)c1C)O2 ZINC000587392252 IF Annotated Anodyne CCOC(=O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392461 IF Annotated Anodyne CCOC(=O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392467 IF Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392469 IF Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392471 IF Annotated Anodyne CCN1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587394196 IF Annotated Anodyne CCN1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587394197 IF Annotated Anodyne CCN1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587395324 IF Annotated Anodyne CCN1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587395325 IF Annotated Anodyne COCCn1cc([C@@]2(c3ccccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587398873 IF Annotated Mild COCCn1cc([C@]2(c3ccccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587398874 IF Annotated Mild COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCOCC1 ZINC000587398945 IF Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCOCC1 ZINC000587398949 IF Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587399546 IF Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587399554 IF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401450 IF Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCOCC1 ZINC000587401642 IF Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCOCC1 ZINC000587401643 IF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401773 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)NCC13CCN(C(=O)OC(C)(C)C)CC3)O2 ZINC000587402125 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)NCC13CCN(C(=O)OC(C)(C)C)CC3)O2 ZINC000587402126 IF Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCCN1CCN(C)CC1 ZINC000587402373 IF Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCCN1CCN(C)CC1 ZINC000587402374 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(O)c(O)c(O)c1)(c1ccc(O)c(O)c1O)O2 ZINC000587403877 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(O)c(O)c(O)c1)(c1ccc(O)c(O)c1O)O2 ZINC000587403878 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 ZINC000587407739 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 ZINC000587407741 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 ZINC000587407742 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 ZINC000587407743 IF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408076 IF Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408077 IF Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(S(=O)(=O)N(C)C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408363 IF Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(S(=O)(=O)N(C)C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408365 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)NCCCN(C)C)cc1)O2 ZINC000587408797 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)NCCCN(C)C)cc1)O2 ZINC000587408808 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1)O2 ZINC000587409100 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1)O2 ZINC000587409114 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1cncc(Br)c1)O2 ZINC000587409295 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1cncc(Br)c1)O2 ZINC000587409307 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3=C4c5ccc(O)c(O)c5OC[C@@]4(O)CC3=CC1=O)O2 ZINC000587409671 IF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3=C4c5ccc(O)c(O)c5OC[C@]4(O)CC3=CC1=O)O2 ZINC000587409674 IF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3=C4c5ccc(O)c(O)c5OC[C@@]4(O)CC3=CC1=O)O2 ZINC000587409677 IF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3=C4c5ccc(O)c(O)c5OC[C@]4(O)CC3=CC1=O)O2 ZINC000587409679 IF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(c1)c(C)nn3[C@@H]1CCS(=O)(=O)C1)O2 ZINC000587409822 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(c1)c(C)nn3[C@H]1CCS(=O)(=O)C1)O2 ZINC000587409831 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3c(c1)c(C)nn3[C@@H]1CCS(=O)(=O)C1)O2 ZINC000587409833 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3c(c1)c(C)nn3[C@H]1CCS(=O)(=O)C1)O2 ZINC000587409835 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000587409930 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000587409931 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)c(S(N)(=O)=O)c1)O2 ZINC000587409940 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)c(S(N)(=O)=O)c1)O2 ZINC000587409941 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)O2 ZINC000587410651 IF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(C)(=O)=O)nc1)O2 ZINC000587410700 IF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(C)(=O)=O)nc1)O2 ZINC000587410701 IF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587410925 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587410929 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)O2 ZINC000587411006 IF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)O2 ZINC000587411009 IF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc1)O2 ZINC000587411307 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc1)O2 ZINC000587411316 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)NC[C@H]3CCCO3)cc1)O2 ZINC000587411380 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)NC[C@H]3CCCO3)cc1)O2 ZINC000587411381 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cc(O)cc2O[C@]1(O)Cc1ccc(O)cc1 ZINC000587413502 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cc(O)cc2O[C@]1(O)Cc1ccc(O)cc1 ZINC000587413505 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cc(O)cc2O[C@@]1(O)Cc1ccc(O)cc1 ZINC000587413507 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cc(O)cc2O[C@@]1(O)Cc1ccc(O)cc1 ZINC000587413508 IF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587413965 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587413966 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587413967 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587413968 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587414012 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587414013 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587414016 IF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587414019 IF Annotated Clean COC(=O)C(=O)[C@@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414862 IF Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414863 IF Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414864 IF Annotated Reactive COC(=O)C(=O)[C@@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414865 IF Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587415420 IF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587415421 IF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)cc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587416480 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)cc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587416481 IF Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587417642 IF Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587417643 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)N(c4cccc(Cl)c4)N=C1C(=O)O)[C@@H](C2)C3=O ZINC000587418592 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N(c4cccc(Cl)c4)N=C1C(=O)O)[C@@H](C2)C3=O ZINC000587418598 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O ZINC000587419502 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O ZINC000587419520 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNC(=O)CCC(=O)O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587422782 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)CCC(=O)O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587422785 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(C#N)c(=O)n(C)c1)(c1cc(F)ccc1O)[C@@H](C2)C3=O ZINC000587426183 IF Annotated Mild COc1cc2c3c(c1)O[C@@](c1cc(C#N)c(=O)n(C)c1)(c1cc(F)ccc1O)[C@@H](C2)C3=O ZINC000587426186 IF Annotated Mild CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587426273 IF Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587426286 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cccc(I)c41)[C@@H](C2)C3=O ZINC000587426517 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cccc(I)c41)[C@@H](C2)C3=O ZINC000587426520 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(I)ccc41)[C@@H](C2)C3=O ZINC000587427675 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(I)ccc41)[C@@H](C2)C3=O ZINC000587427676 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNC(=O)CCC(=O)O)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587428396 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)CCC(=O)O)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587428398 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587429416 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587429419 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(I)cccc41)[C@@H](C2)C3=O ZINC000587429428 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(I)cccc41)[C@@H](C2)C3=O ZINC000587429429 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(-c3ccccc3)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429779 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(-c3ccccc3)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429782 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)[C@@H](C2)C3=O ZINC000587431121 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)[C@@H](C2)C3=O ZINC000587431122 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)[C@@H](C2)C3=O ZINC000587431123 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)[C@@H](C2)C3=O ZINC000587431124 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431487 IF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431489 IF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431490 IF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431492 IF Annotated Bother COc1cc2c3c(c1)OC1(c4c(O)ccc(N)c4C(=O)c4c(N)ccc(O)c41)[C@@H](C2)C3=O ZINC000587431945 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587433102 IF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587433103 IF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587433104 IF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587433105 IF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cn(C)nc1CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587433625 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587433626 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)[C@@H](C2)C3=O ZINC000587433633 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)[C@@H](C2)C3=O ZINC000587433634 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)[C@@H](C2)C3=O ZINC000587433635 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)[C@@H](C2)C3=O ZINC000587433636 IF Annotated Anodyne COc1cc2c3c(c1)OC1(c4c(N)ccc(O)c4C(=O)c4c(O)ccc(N)c41)[C@@H](C2)C3=O ZINC000587434339 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C4CC4)C(=O)c4cc(OC)cc(OC)c41)[C@@H](C2)C3=O ZINC000587434620 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C4CC4)C(=O)c4cc(OC)cc(OC)c41)[C@@H](C2)C3=O ZINC000587434766 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587435253 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587435255 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587435257 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587435259 IF Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435297 IF Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435301 IF Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435303 IF Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435305 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1cccc(C)n1)(c1ccc4ncnn4c1)[C@@H](C2)C3=O ZINC000587435626 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1cccc(C)n1)(c1ccc4ncnn4c1)[C@@H](C2)C3=O ZINC000587435628 IF Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587436947 IF Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587436948 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(C(=O)NCC(OC)OC)c1C)[C@@H](C2)C3=O ZINC000587438743 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(C(=O)NCC(OC)OC)c1C)[C@@H](C2)C3=O ZINC000587438745 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587439041 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587439049 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587439056 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587439061 IF Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441677 IF Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441680 IF Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444115 IF Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444120 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCCN1CCOCC1)[C@@H](C2)C3=O ZINC000587444313 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCCN1CCOCC1)[C@@H](C2)C3=O ZINC000587444315 IF Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444465 IF Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444466 IF Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444467 IF Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444468 IF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444580 IF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444582 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)N4CCOCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587444861 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)N4CCOCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587444862 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)NCC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587444863 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)NCC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587444864 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447522 IF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447523 IF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=[N+]=[N-])C=Cc4c1cccc4S(=O)(=O)Cl)[C@@H](C2)C3=O ZINC000587447680 IF Annotated Unstable COc1cc2c3c(c1)O[C@]1(C(=[N+]=[N-])C=Cc4c1cccc4S(=O)(=O)Cl)[C@@H](C2)C3=O ZINC000587447681 IF Annotated Unstable COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587447684 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587447685 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCCCN(C)C)cc1)[C@@H](C2)C3=O ZINC000587447698 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NCCCN(C)C)cc1)[C@@H](C2)C3=O ZINC000587447699 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587447913 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587447914 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@@H]41)[C@@H](C2)C3=O ZINC000587447922 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@@H]41)[C@@H](C2)C3=O ZINC000587447924 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@H]41)[C@@H](C2)C3=O ZINC000587447925 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@H]41)[C@@H](C2)C3=O ZINC000587447926 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cc(O)cc4O[C@]1(O)Cc1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448012 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cc(O)cc4O[C@@]1(O)Cc1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448016 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(O)cc(O)cc4O[C@@]1(O)Cc1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448020 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(O)cc(O)cc4O[C@]1(O)Cc1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448024 IF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC1)[C@@H](C2)C3=O ZINC000587448701 IF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(C[S@@](=O)CC(=O)O)c1)[C@@H](C2)C3=O ZINC000587448885 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(C[S@](=O)CC(=O)O)c1)[C@@H](C2)C3=O ZINC000587448886 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(C[S@@](=O)CC(=O)O)c1)[C@@H](C2)C3=O ZINC000587448887 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(C[S@](=O)CC(=O)O)c1)[C@@H](C2)C3=O ZINC000587448888 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)c(O)c4C(=O)c4c(O)ccc(O)c41)[C@@H](C2)C3=O ZINC000587449369 IF Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccc(O)c(O)c4C(=O)c4c(O)ccc(O)c41)[C@@H](C2)C3=O ZINC000587449382 IF Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4cccc(O)c4C(=O)c4c(O)cc(CO)cc41)[C@@H](C2)C3=O ZINC000587449469 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4C(=O)c4c(O)cc(CO)cc41)[C@@H](C2)C3=O ZINC000587449475 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)[C@@H](C2)C3=O ZINC000587449581 IF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)[C@@H](C2)C3=O ZINC000587449592 IF Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cnc4c(c1)c(C)nn4[C@@H]1CCS(=O)(=O)C1)[C@@H](C2)C3=O ZINC000587449833 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4c(c1)c(C)nn4[C@@H]1CCS(=O)(=O)C1)[C@@H](C2)C3=O ZINC000587449836 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4c(c1)c(C)nn4[C@H]1CCS(=O)(=O)C1)[C@@H](C2)C3=O ZINC000587449837 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4c(c1)c(C)nn4[C@H]1CCS(=O)(=O)C1)[C@@H](C2)C3=O ZINC000587449838 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(O)cccc4C(=O)c4cc(CO)cc(O)c41)[C@@H](C2)C3=O ZINC000587449935 IF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cccc4C(=O)c4cc(CO)cc(O)c41)[C@@H](C2)C3=O ZINC000587449936 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCSCC4)nc4ccccn4c1=O)[C@@H](C2)C3=O ZINC000587449971 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCSCC4)nc4ccccn4c1=O)[C@@H](C2)C3=O ZINC000587449978 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc1)[C@@H](C2)C3=O ZINC000587450077 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NC[C@H]4CCCO4)cc1)[C@@H](C2)C3=O ZINC000587450089 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NC[C@H]4CCCO4)cc1)[C@@H](C2)C3=O ZINC000587450091 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc1)[C@@H](C2)C3=O ZINC000587450093 IF Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1cncc(Br)c1)[C@@H](C2)C3=O ZINC000587450095 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1cncc(Br)c1)[C@@H](C2)C3=O ZINC000587450096 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c4ccccc41)[C@@H](C2)C3=O ZINC000587450716 IF Annotated Unstable COc1cc2c3c(c1)O[C@]1(C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c4ccccc41)[C@@H](C2)C3=O ZINC000587450719 IF Annotated Unstable COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCN4S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450720 IF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCN4S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450722 IF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)OC)([C@@H](Br)CC(=O)OC)CC2=O ZINC000587451254 IF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@H](Br)CC(=O)OC)CC2=O ZINC000587451257 IF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@@H](Br)CC(=O)OC)CC2=O ZINC000587451258 IF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)OC)([C@H](Br)CC(=O)OC)CC2=O ZINC000587451259 IF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(C)(=O)=O)nc1)[C@@H](C2)C3=O ZINC000587451429 IF Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(C)(=O)=O)nc1)[C@@H](C2)C3=O ZINC000587451435 IF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4c(ccc(O)c4O)C(=O)c4c(O)ccc(O)c41)[C@@H](C2)C3=O ZINC000587453240 IF Annotated Clean COc1cc2c3c(c1)O[C@]1(c4c(ccc(O)c4O)C(=O)c4c(O)ccc(O)c41)[C@@H](C2)C3=O ZINC000587453243 IF Annotated Clean COc1cc2c3c(c1)O[C@@](c1cc(O)c(O)c(O)c1)(c1ccc(O)c(O)c1O)[C@@H](C2)C3=O ZINC000587453326 IF Annotated Clean COc1cc2c3c(c1)O[C@](c1cc(O)c(O)c(O)c1)(c1ccc(O)c(O)c1O)[C@@H](C2)C3=O ZINC000587453347 IF Annotated Clean COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454223 IF Annotated Anodyne COC(=O)[C@H]1C(=O)N(C(C)C)c2sccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454225 IF Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454227 IF Annotated Anodyne COC(=O)[C@H]1C(=O)N(C(C)C)c2sccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454229 IF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1[C@H](OC(=O)c4ccccc4)C[C@@H]4OC(=O)C[C@@H]41)[C@@H](C2)C3=O ZINC000587454921 IF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1[C@H](OC(=O)c4ccccc4)C[C@@H]4OC(=O)C[C@@H]41)[C@@H](C2)C3=O ZINC000587454923 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C)CC2=O ZINC000587464339 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C)CC2=O ZINC000587464340 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)C(=O)c2cc(OC)cc(OC)c21 ZINC000587474007 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)C(=O)c2cc(OC)cc(OC)c21 ZINC000587474010 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](OC(=O)c1cnn(C)c1)C(=O)OCC)CC2=O ZINC000587474114 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](OC(=O)c1cnn(C)c1)C(=O)OCC)CC2=O ZINC000587474115 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](OC(=O)c1cnn(C)c1)C(=O)OCC)CC2=O ZINC000587474116 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](OC(=O)c1cnn(C)c1)C(=O)OCC)CC2=O ZINC000587474117 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC(=O)NCC13CN(C(=O)OC(C)(C)C)C3)CC2=O ZINC000587474808 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC(=O)NCC13CN(C(=O)OC(C)(C)C)C3)CC2=O ZINC000587474811 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OCC)C(=O)C[C@H]1C(=O)OCC ZINC000587476662 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OCC)C(=O)C[C@@H]1C(=O)OCC ZINC000587476667 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OCC)C(=O)C[C@@H]1C(=O)OCC ZINC000587476668 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OCC)C(=O)C[C@H]1C(=O)OCC ZINC000587476669 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1nnc(C(=O)OCC)c1C(=O)OCC)CC2=O ZINC000587480874 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1nnc(C(=O)OCC)c1C(=O)OCC)CC2=O ZINC000587480885 IF Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC1)CC2=O ZINC000587481458 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCOCC3)nc3ccccn3c1=O)CC2=O ZINC000587483430 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCOCC3)nc3ccccn3c1=O)CC2=O ZINC000587483448 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(=O)(=O)NCC(=O)O)c1)CC2=O ZINC000587483939 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(=O)(=O)NCC(=O)O)c1)CC2=O ZINC000587483940 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)CC2=O ZINC000587483962 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)CC2=O ZINC000587483968 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)CC2=O ZINC000587483972 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)CC2=O ZINC000587483973 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(=O)(=O)NCCC(=O)O)c1)CC2=O ZINC000587483978 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(=O)(=O)NCCC(=O)O)c1)CC2=O ZINC000587483979 IF Annotated Anodyne C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2cccnc21 ZINC000587484913 IF Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2cccnc21 ZINC000587484919 IF Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2cccnc21 ZINC000587484921 IF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2cccnc21 ZINC000587484923 IF Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1)CC2=O ZINC000587487415 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1)CC2=O ZINC000587487421 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)CC2=O ZINC000587488819 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)CC2=O ZINC000587488823 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)CC2=O ZINC000587488825 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)CC2=O ZINC000587488828 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NCC(=O)O)cc1)CC2=O ZINC000587488868 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NCC(=O)O)cc1)CC2=O ZINC000587488869 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C1)CC2=O ZINC000587489083 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C1)CC2=O ZINC000587489085 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2ccc(OC)cc2)N=C1C(=O)O ZINC000587489313 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2ccc(OC)cc2)N=C1C(=O)O ZINC000587489314 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)N3CCN(C)CC3)cc1)CC2=O ZINC000587493619 IF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)N3CCN(C)CC3)cc1)CC2=O ZINC000587493623 IF Annotated Anodyne COC(=O)C[C@@H](Br)[C@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498534 IF Annotated Reactive COC(=O)C[C@@H](Br)[C@@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498553 IF Annotated Reactive COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498555 IF Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498556 IF Annotated Reactive CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517142 IF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517143 IF Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517144 IF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517145 IF Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OCC ZINC000587517626 IF Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OCC ZINC000587517627 IF Annotated Anodyne CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518428 IF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3[C@]12O ZINC000587518429 IF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3[C@@]12O ZINC000587518430 IF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3[C@]12O ZINC000587518431 IF Annotated Anodyne C#CCN1C(=O)[C@@H](C(=O)OCC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 ZINC000587519276 IF Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 ZINC000587519277 IF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 ZINC000587519278 IF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 ZINC000587519279 IF Annotated Mild CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587524415 IF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)OCC)CC1=O ZINC000587524419 IF Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587524421 IF Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)OCC)CC1=O ZINC000587524423 IF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530280 IF Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530300 IF Annotated Anodyne CN1[C@H](C(=O)O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2S1(=O)=O ZINC000587531122 IF Annotated Anodyne CN1[C@H](C(=O)O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2S1(=O)=O ZINC000587531126 IF Annotated Anodyne CN1[C@@H](C(=O)O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2S1(=O)=O ZINC000587531129 IF Annotated Anodyne CN1[C@@H](C(=O)O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2S1(=O)=O ZINC000587531131 IF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531605 IF Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccsc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531611 IF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531613 IF Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531615 IF Annotated Anodyne CS(=O)(=O)N(c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O ZINC000587532016 IF Annotated Anodyne CS(=O)(=O)N(c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O ZINC000587532019 IF Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532710 IF Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532713 IF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532714 IF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532715 IF Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532814 IF Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532816 IF Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534317 IF Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534318 IF Annotated Anodyne Nc1nccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587537273 IF Annotated Reactive Nc1nccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587537274 IF Annotated Reactive Nc1nccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587537276 IF Annotated Reactive Nc1nccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587537277 IF Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545149 IF Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545156 IF Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545157 IF Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545158 IF Annotated Reactive CCOC(=O)C1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2[N+](=O)[O-])CC1 ZINC000587553060 IF Annotated Bother O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587553589 IF Annotated Anodyne O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587553591 IF Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CCc2ccc3c(O)nc(O)nc3n2)C(C)(C)C1 ZINC000587557278 IF Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3cc4c(O)nc(O)nc4nc3CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587558381 IF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3cc4c(O)nc(O)nc4nc3CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587558386 IF Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3cc4c(O)nc(O)nc4nc3CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587558387 IF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3cc4c(O)nc(O)nc4nc3CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587558388 IF Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(Br)c3nc4nc(O)nc(O)c4cc3C2)cc1 ZINC000587562694 IF Annotated Anodyne O=C(O)COCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587562907 IF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](c1ccccc1)[C@@H](O)c1ccc2c(O)nc(O)nc2n1 ZINC000587562911 IF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](c1ccccc1)[C@H](O)c1ccc2c(O)nc(O)nc2n1 ZINC000587562912 IF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](c1ccccc1)[C@@H](O)c1ccc2c(O)nc(O)nc2n1 ZINC000587562914 IF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](c1ccccc1)[C@H](O)c1ccc2c(O)nc(O)nc2n1 ZINC000587562916 IF Annotated Anodyne O=C1Oc2c(O)cccc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563022 IF Annotated Anodyne O=C1Oc2c(O)cccc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563026 IF Annotated Anodyne O=C1Oc2c(O)cccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563027 IF Annotated Anodyne O=C1Oc2c(O)cccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563028 IF Annotated Anodyne O=C1Oc2ccc(O)cc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563386 IF Annotated Anodyne O=C1Oc2ccc(O)cc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563387 IF Annotated Anodyne O=C1Oc2ccc(O)cc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563389 IF Annotated Anodyne O=C1Oc2ccc(O)cc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563390 IF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc(O)cc1 ZINC000587563441 IF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc(O)cc1 ZINC000587563443 IF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc(O)cc1 ZINC000587563574 IF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc(O)cc1 ZINC000587563575 IF Annotated Anodyne O=C1Oc2cc(O)ccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587564056 IF Annotated Anodyne O=C1Oc2cc(O)ccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587564057 IF Annotated Anodyne O=C1Oc2cc(O)ccc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587564058 IF Annotated Anodyne O=C1Oc2cc(O)ccc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587564059 IF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587566801 IF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587568112 IF Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587569487 IF Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587569493 IF Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587569494 IF Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587569496 IF Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569942 IF Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569943 IF Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569945 IF Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569947 IF Annotated Anodyne CN(C)/C=C/[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572806 IF Annotated Bother CN(C)/C=C\[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572816 IF Annotated Bother CN(C)/C=C\[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572819 IF Annotated Bother CN(C)/C=C/[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572822 IF Annotated Bother CN1C(=O)[C@H]([N+](=O)[O-])[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578389 IF Annotated Mild CN1C(=O)[C@H]([N+](=O)[O-])[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578397 IF Annotated Mild CN1C(=O)[C@H]([N+](=O)[O-])[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578401 IF Annotated Mild CN1C(=O)[C@H]([N+](=O)[O-])[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578404 IF Annotated Mild COC(=O)c1n[nH]c(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587578838 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587578842 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587578844 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587578846 IF Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587579625 IF Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587579626 IF Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587579627 IF Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587579628 IF Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587579878 IF Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587579879 IF Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587579880 IF Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587579881 IF Annotated Anodyne Cc1nn(C)cc1[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579942 IF Annotated Anodyne Cc1nn(C)cc1[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579961 IF Annotated Anodyne Cc1nn(C)cc1[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579963 IF Annotated Anodyne Cc1nn(C)cc1[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579965 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581118 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581120 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581121 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581122 IF Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587582050 IF Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587582051 IF Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587582052 IF Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587582053 IF Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587582572 IF Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587582573 IF Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587582574 IF Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587582575 IF Annotated Anodyne O=C(O)CCCC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582686 IF Annotated Anodyne O=C(O)CCCC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582687 IF Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583037 IF Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583038 IF Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583039 IF Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583040 IF Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584010 IF Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584011 IF Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584012 IF Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584013 IF Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592639 IF Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592642 IF Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592644 IF Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592646 IF Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594775 IF Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594776 IF Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596211 IF Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596212 IF Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596213 IF Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596215 IF Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596891 IF Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596893 IF Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596895 IF Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596897 IF Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598924 IF Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598933 IF Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598935 IF Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598938 IF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000587605084 IF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000587605088 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000587605089 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000587605090 IF Annotated Anodyne CS(=O)(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606565 IF Annotated Anodyne CS(=O)(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606568 IF Annotated Anodyne CS(=O)(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606569 IF Annotated Anodyne CS(=O)(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606570 IF Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607178 IF Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607179 IF Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607180 IF Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607181 IF Annotated Anodyne Cc1cccc([C@@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587608180 IF Annotated Anodyne Cc1cccc([C@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587608181 IF Annotated Anodyne Cc1cccc([C@@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587608182 IF Annotated Anodyne Cc1cccc([C@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587608183 IF Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608386 IF Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608394 IF Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608396 IF Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608397 IF Annotated Anodyne C[C@]1(n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)CCS(=O)(=O)C1 ZINC000587612013 IF Annotated Anodyne C[C@]1(n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)CCS(=O)(=O)C1 ZINC000587612018 IF Annotated Anodyne C[C@]1(n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)CCS(=O)(=O)C1 ZINC000587612020 IF Annotated Anodyne C[C@]1(n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)CCS(=O)(=O)C1 ZINC000587612022 IF Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613384 IF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613388 IF Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613389 IF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613390 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn([C@H]2CCS(=O)(=O)C2)c1 ZINC000587615130 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn([C@@H]2CCS(=O)(=O)C2)c1 ZINC000587615131 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn([C@H]2CCS(=O)(=O)C2)c1 ZINC000587615132 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn([C@@H]2CCS(=O)(=O)C2)c1 ZINC000587615133 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2N1CCS(=O)(=O)CC1 ZINC000587615417 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2N1CCS(=O)(=O)CC1 ZINC000587615424 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2N1CCS(=O)(=O)CC1 ZINC000587615426 IF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2N1CCS(=O)(=O)CC1 ZINC000587615429 IF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ncnn3C)c(C)c2c1 ZINC000587620724 IF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cn3cncn3)c(C)c2c1 ZINC000587621140 IF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N(C)CCO)c2c1 ZINC000587621274 IF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N(C)C)c2c1 ZINC000587621493 IF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cn3cncn3)c2c1 ZINC000587621595 IF Annotated Bother Cc1cc(Cl)cc2c(-n3c(=O)n(C)c(=O)n(C)c3=O)c(-c3ccc4c(c3)CCC4)[nH]c12 ZINC000587627026 IF Annotated Anodyne Cn1c(=O)n(C)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cc(Cl)c(F)cc23)c1=O ZINC000587631391 IF Annotated Anodyne Cn1c(=O)n(C)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3ccc(F)c(Cl)c23)c1=O ZINC000587632194 IF Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc4c(c3)OCO4)[nH]c3cc(F)ccc23)c1C(=O)OC ZINC000587635859 IF Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc4c(c3)OCO4)[nH]c3cccc(F)c23)c1C(=O)OC ZINC000587636142 IF Annotated Anodyne CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2c(C(=O)O)cccc12 ZINC000587638287 IF Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3c(C(=O)O)cccc23)c1C(=O)OC ZINC000587638502 IF Annotated Anodyne CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587638991 IF Annotated Anodyne COC(=O)C(=NNc1ccc(OC)cc1)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)OC ZINC000587647963 IF Annotated Mild CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587648542 IF Annotated Bother CCOC(=O)C(C(=O)OCC)c1[nH]c2ccc(S(C)(=O)=O)cc2c1CC(F)(F)F ZINC000587648762 IF Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650812 IF Annotated Bother O=C(c1[nH]nc(Br)c1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587651272 IF Annotated Anodyne O=C(c1nc(-c2cn(-c3cccc(F)c3)nn2)no1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652147 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)c([N+](=O)[O-])c1 ZINC000587653433 IF Annotated Bother O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653460 IF Annotated Bother CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1cc(C)n(C)n1 ZINC000587653985 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587654060 IF Annotated Bother O=C(OCc1ccccc1)N1CCO[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587654520 IF Annotated Anodyne O=C(OCc1ccccc1)N1CCO[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587654521 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587655225 IF Annotated Anodyne Cc1nn(C)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1[N+](=O)[O-] ZINC000587655856 IF Annotated Bother Cc1c([N+](=O)[O-])c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1C ZINC000587655865 IF Annotated Bother O=C(c1ccn(Cn2cccn2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656308 IF Annotated Anodyne O=C(CCn1cnc([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656695 IF Annotated Bother Nc1nc(-c2ccccn2)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587657493 IF Annotated Anodyne COc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587657501 IF Annotated Bother NNC(=O)c1cc(Cl)cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587657748 IF Annotated Reactive CS(=O)(=O)N1CCC(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587658457 IF Annotated Anodyne CS(=O)(=O)N1CCC[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1 ZINC000587658512 IF Annotated Anodyne CS(=O)(=O)N1CCC[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1 ZINC000587658514 IF Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)NC2=N1 ZINC000587658847 IF Annotated Anodyne CC1(C)NC(=O)N(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1=O ZINC000587658934 IF Annotated Anodyne NNC(=O)CCSSCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660409 IF Annotated Reactive CS(=O)(=O)N1CCC[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587660424 IF Annotated Anodyne CS(=O)(=O)N1CCC[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587660425 IF Annotated Anodyne CCS(=O)(=O)N1CCC(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587661235 IF Annotated Anodyne CS(=O)(=O)N1CCC(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587661354 IF Annotated Anodyne CN1CC(=O)N(CCCCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1=O ZINC000587661448 IF Annotated Anodyne O=C(Cn1c(O)nc2ccccc2c1=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662144 IF Annotated Anodyne CCS(=O)(=O)N1CCC[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587662148 IF Annotated Anodyne CCS(=O)(=O)N1CCC[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587662150 IF Annotated Anodyne NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000587662234 IF Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(NN)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664191 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3noc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664308 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(C(=O)NN)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665029 IF Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665095 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnc(NN)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665172 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(=O)NN)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665181 IF Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])n[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587666342 IF Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666398 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)N3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666428 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(N)cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666622 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(C)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587667060 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc([N+](=O)[O-])c(N)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667126 IF Annotated Bother CCN(CC)c1ccc(-c2nn(-c3nc(O)c4c[nH]nc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667490 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667648 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667723 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCCC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667928 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3n[nH]cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667929 IF Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667930 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667931 IF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668615 IF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668620 IF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn(C)c3N)c(=O)c3ccccc23)cc1OCC ZINC000587668627 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn([C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587668655 IF Annotated Anodyne CCN(CC)c1ccc(-c2nn([C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587668656 IF Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(N)=O)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668867 IF Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc([N+](=O)[O-])c(N)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668906 IF Annotated Bother CCOc1ccc(-c2nn(-c3cc(C(=O)NN)ccn3)c(=O)c3ccccc23)cc1OCC ZINC000587669010 IF Annotated Reactive CCOc1ccc(-c2nn(C(=O)CS(C)(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587669640 IF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(N)cnn3C)c(=O)c3ccccc23)cc1OCC ZINC000587669766 IF Annotated Anodyne CCOc1ccc(-c2nn(-c3cccc(C(=O)NN)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670484 IF Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=S)NCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587670588 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccnc(N)n2)N1 ZINC000587673377 IF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccnc(N)n2)N1 ZINC000587673378 IF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccnc(N)n2)N1 ZINC000587673379 IF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccnc(N)n2)N1 ZINC000587673380 IF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccnc(N)n2)N1 ZINC000587674319 IF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccnc(N)n2)N1 ZINC000587674320 IF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccnc(N)n2)N1 ZINC000587674321 IF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccnc(N)n2)N1 ZINC000587674322 IF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(COC(=O)CCl)OCC2=O)N1 ZINC000587682989 IF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(COC(=O)CCl)OCC2=O)N1 ZINC000587682991 IF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(COC(=O)CCl)OCC2=O)N1 ZINC000587682994 IF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(COC(=O)CCl)OCC2=O)N1 ZINC000587682998 IF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(COC(=O)CCl)OCC2=O)N1 ZINC000587685162 IF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(COC(=O)CCl)OCC2=O)N1 ZINC000587685165 IF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(COC(=O)CCl)OCC2=O)N1 ZINC000587685168 IF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(COC(=O)CCl)OCC2=O)N1 ZINC000587685171 IF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(COC(=O)CCl)=CC2=O)N1 ZINC000587685863 IF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(COC(=O)CCl)=CC2=O)N1 ZINC000587685864 IF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(COC(=O)CCl)=CC2=O)N1 ZINC000587685865 IF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(COC(=O)CCl)=CC2=O)N1 ZINC000587685867 IF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(COC(=O)CCl)=CC2=O)N1 ZINC000587686774 IF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(COC(=O)CCl)=CC2=O)N1 ZINC000587686776 IF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(COC(=O)CCl)=CC2=O)N1 ZINC000587686778 IF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(COC(=O)CCl)=CC2=O)N1 ZINC000587686780 IF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(=O)(=O)N(C)C)(C(F)(F)F)N1 ZINC000587702011 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(=O)(=O)N(C)C)(C(F)(F)F)N1 ZINC000587702018 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(=O)(=O)N(C)C)(C(F)(F)F)N1 ZINC000587702020 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(=O)(=O)N(C)C)(C(F)(F)F)N1 ZINC000587702023 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(=O)(=O)N(C)C)(C(F)(F)F)N1 ZINC000587704256 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(=O)(=O)N(C)C)(C(F)(F)F)N1 ZINC000587704257 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(=O)(=O)N(C)C)(C(F)(F)F)N1 ZINC000587704258 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(=O)(=O)N(C)C)(C(F)(F)F)N1 ZINC000587704259 IF Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731551 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731573 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731574 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731575 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732315 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732317 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732319 IF Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732320 IF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1N(C)C(=O)[C@@H]2[N+](=O)[O-] ZINC000587749206 IF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1N(C)C(=O)[C@H]2[N+](=O)[O-] ZINC000587749207 IF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1N(C)C(=O)[C@H]2[N+](=O)[O-] ZINC000587749208 IF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1N(C)C(=O)[C@@H]2[N+](=O)[O-] ZINC000587749209 IF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1N(C)C(=O)[C@@H]2[N+](=O)[O-] ZINC000587750415 IF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1N(C)C(=O)[C@H]2[N+](=O)[O-] ZINC000587750416 IF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1N(C)C(=O)[C@H]2[N+](=O)[O-] ZINC000587750417 IF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1N(C)C(=O)[C@@H]2[N+](=O)[O-] ZINC000587750418 IF Annotated Mild COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753684 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753699 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753700 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753702 IF Annotated Anodyne Cc1nn(C)cc1[C@]1(CN2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754483 IF Annotated Anodyne Cc1nn(C)cc1[C@@]1(CN2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754509 IF Annotated Anodyne Cc1nn(C)cc1[C@]1(CN2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754511 IF Annotated Anodyne Cc1nn(C)cc1[C@@]1(CN2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754513 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587755138 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587755140 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587755277 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587755278 IF Annotated Anodyne CCn1nccc1C(=O)C[C@@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755607 IF Annotated Anodyne CCn1nccc1C(=O)C[C@@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755611 IF Annotated Anodyne CCn1nccc1C(=O)C[C@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755613 IF Annotated Anodyne CCn1nccc1C(=O)C[C@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755614 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587755754 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587755755 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587755757 IF Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587755758 IF Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755893 IF Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755894 IF Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755895 IF Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755896 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)nc(=O)n(Cc3ccco3)c2N)N1 ZINC000587756307 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)nc(=O)n(Cc3ccco3)c2N)N1 ZINC000587756308 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)nc(=O)n(Cc3ccco3)c2N)N1 ZINC000587756309 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)nc(=O)n(Cc3ccco3)c2N)N1 ZINC000587756311 IF Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757571 IF Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757572 IF Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757573 IF Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757574 IF Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758120 IF Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758121 IF Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758122 IF Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758123 IF Annotated Anodyne Cc1nn(C)cc1[C@@]1(CN2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759081 IF Annotated Anodyne Cc1nn(C)cc1[C@]1(CN2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759084 IF Annotated Anodyne Cc1nn(C)cc1[C@@]1(CN2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759086 IF Annotated Anodyne Cc1nn(C)cc1[C@]1(CN2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759088 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759475 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759476 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759478 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759480 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760158 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760159 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760160 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760161 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760226 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760227 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760228 IF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760229 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)nc(=O)n(Cc3ccco3)c2N)N1 ZINC000587760250 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)nc(=O)n(Cc3ccco3)c2N)N1 ZINC000587760251 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)nc(=O)n(Cc3ccco3)c2N)N1 ZINC000587760252 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)nc(=O)n(Cc3ccco3)c2N)N1 ZINC000587760253 IF Annotated Anodyne CCn1nccc1C(=O)C[C@@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760770 IF Annotated Anodyne CCn1nccc1C(=O)C[C@@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760771 IF Annotated Anodyne CCn1nccc1C(=O)C[C@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760772 IF Annotated Anodyne CCn1nccc1C(=O)C[C@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760774 IF Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587761358 IF Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587761360 IF Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587761361 IF Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587761363 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761615 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761616 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761617 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761618 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762492 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762493 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762494 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762495 IF Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762728 IF Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762729 IF Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762730 IF Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762731 IF Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cnn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762767 IF Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cnn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762768 IF Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cnn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762769 IF Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cnn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762770 IF Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762805 IF Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762807 IF Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762808 IF Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762810 IF Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587763926 IF Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587763930 IF Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587763933 IF Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587763935 IF Annotated Anodyne CCn1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764446 IF Annotated Anodyne CCn1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764448 IF Annotated Anodyne CCn1ccc(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764450 IF Annotated Anodyne CCn1ccc(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764452 IF Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587764863 IF Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587764864 IF Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587764865 IF Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587764866 IF Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cnn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765768 IF Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cnn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765770 IF Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cnn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765771 IF Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cnn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765773 IF Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587766372 IF Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587766374 IF Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587766377 IF Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587766380 IF Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587766844 IF Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587766846 IF Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587766847 IF Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587766848 IF Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587767349 IF Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587767352 IF Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587767354 IF Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587767355 IF Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587767434 IF Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587767436 IF Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587767438 IF Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587767440 IF Annotated Anodyne CCn1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587768048 IF Annotated Anodyne CCn1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587768050 IF Annotated Anodyne CCn1ccc(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587768052 IF Annotated Anodyne CCn1ccc(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587768054 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CCN3CCOCC3)CC2)N1 ZINC000587771941 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CCN3CCOCC3)CC2)N1 ZINC000587771944 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCN3CCOCC3)CC2)N1 ZINC000587773146 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCN3CCOCC3)CC2)N1 ZINC000587773147 IF Annotated Anodyne CCOC(=O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587777510 IF Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587788324 IF Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(N)ncnc2[nH]1 ZINC000587788352 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789823 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789848 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789851 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789855 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NCCNC2=O)(c2ccccc2)N1 ZINC000587790508 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/NCCNC2=O)(c2ccccc2)N1 ZINC000587790514 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NCCNC2=O)(c2ccccc2)N1 ZINC000587790517 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/NCCNC2=O)(c2ccccc2)N1 ZINC000587790519 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3nn[nH]n3)Oc3c(N)cccc32)N1 ZINC000587791095 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791100 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791101 IF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791103 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3nn[nH]n3)Oc3c(N)cccc32)N1 ZINC000587791106 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3nn[nH]n3)Oc3c(N)cccc32)N1 ZINC000587791108 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3nn[nH]n3)Oc3c(N)cccc32)N1 ZINC000587791111 IF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791524 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3nn[nH]n3)Oc3c(N)cccc32)N1 ZINC000587793672 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3nn[nH]n3)Oc3c(N)cccc32)N1 ZINC000587793674 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3nn[nH]n3)Oc3c(N)cccc32)N1 ZINC000587793676 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3nn[nH]n3)Oc3c(N)cccc32)N1 ZINC000587793679 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NCCNC2=O)(c2ccccc2)N1 ZINC000587796630 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/NCCNC2=O)(c2ccccc2)N1 ZINC000587796631 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NCCNC2=O)(c2ccccc2)N1 ZINC000587796632 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/NCCNC2=O)(c2ccccc2)N1 ZINC000587796633 IF Annotated Anodyne COc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807045 IF Annotated Anodyne COc1ccc([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807053 IF Annotated Anodyne COc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807056 IF Annotated Anodyne COc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807059 IF Annotated Anodyne CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587810513 IF Annotated Reactive CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587810539 IF Annotated Reactive CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587810543 IF Annotated Reactive CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587810545 IF Annotated Reactive COc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810883 IF Annotated Anodyne COc1ccc([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810885 IF Annotated Anodyne COc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810887 IF Annotated Anodyne COc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810888 IF Annotated Anodyne CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587811655 IF Annotated Reactive CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587811657 IF Annotated Reactive CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587811659 IF Annotated Reactive CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587811661 IF Annotated Reactive CC(=O)[C@@H]1C(=O)C[C@](C)(C(=O)O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824917 IF Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](C)(C(=O)O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824918 IF Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](C)(C(=O)O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824919 IF Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](C)(C(=O)O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824920 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(=O)CC(C)(C(=O)O)CC2=O)N1 ZINC000587826291 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(=O)CC(C)(C(=O)O)CC2=O)N1 ZINC000587826292 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(=O)CC(C)(C(=O)O)CC2=O)N1 ZINC000587826293 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(=O)CC(C)(C(=O)O)CC2=O)N1 ZINC000587826294 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(=O)CC(C)(C(=O)O)CC2=O)N1 ZINC000587827026 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(=O)CC(C)(C(=O)O)CC2=O)N1 ZINC000587827027 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(=O)CC(C)(C(=O)O)CC2=O)N1 ZINC000587827028 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(=O)CC(C)(C(=O)O)CC2=O)N1 ZINC000587827029 IF Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](C)(C(=O)O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828489 IF Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](C)(C(=O)O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828490 IF Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](C)(C(=O)O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828492 IF Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](C)(C(=O)O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828493 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNS(C)(=O)=O)(c2ccccc2)N1 ZINC000587839837 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNS(C)(=O)=O)(c2ccccc2)N1 ZINC000587839842 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNS(C)(=O)=O)(c2ccccc2)N1 ZINC000587839844 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNS(C)(=O)=O)(c2ccccc2)N1 ZINC000587839846 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc(S(N)(=O)=O)cc32)N1 ZINC000587840462 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc(S(N)(=O)=O)cc32)N1 ZINC000587840463 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc(S(N)(=O)=O)cc32)N1 ZINC000587840464 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc(S(N)(=O)=O)cc32)N1 ZINC000587840465 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNS(C)(=O)=O)(c2ccccc2)N1 ZINC000587841019 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNS(C)(=O)=O)(c2ccccc2)N1 ZINC000587841021 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNS(C)(=O)=O)(c2ccccc2)N1 ZINC000587841023 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNS(C)(=O)=O)(c2ccccc2)N1 ZINC000587841024 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)N1 ZINC000587842886 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2N2CCS(=O)(=O)CC2)N1 ZINC000587842887 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)N1 ZINC000587842888 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2N2CCS(=O)(=O)CC2)N1 ZINC000587842889 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc(S(N)(=O)=O)cc32)N1 ZINC000587842935 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc(S(N)(=O)=O)cc32)N1 ZINC000587842936 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc(S(N)(=O)=O)cc32)N1 ZINC000587842938 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc(S(N)(=O)=O)cc32)N1 ZINC000587842940 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)N1 ZINC000587843676 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn([C@]3(C)CCS(=O)(=O)C3)c2)N1 ZINC000587843680 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn([C@]3(C)CCS(=O)(=O)C3)c2)N1 ZINC000587843682 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)N1 ZINC000587843683 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn([C@H]3CCS(=O)(=O)C3)c2)N1 ZINC000587843955 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn([C@@H]3CCS(=O)(=O)C3)c2)N1 ZINC000587843961 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn([C@@H]3CCS(=O)(=O)C3)c2)N1 ZINC000587843962 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn([C@H]3CCS(=O)(=O)C3)c2)N1 ZINC000587843966 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)N1 ZINC000587844078 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn([C@]3(C)CCS(=O)(=O)C3)c2)N1 ZINC000587844079 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn([C@]3(C)CCS(=O)(=O)C3)c2)N1 ZINC000587844080 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)N1 ZINC000587844081 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587846348 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587846350 IF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587846351 IF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587846352 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn([C@H]3CCS(=O)(=O)C3)c2)N1 ZINC000587847110 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn([C@@H]3CCS(=O)(=O)C3)c2)N1 ZINC000587847112 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn([C@@H]3CCS(=O)(=O)C3)c2)N1 ZINC000587847339 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn([C@H]3CCS(=O)(=O)C3)c2)N1 ZINC000587847340 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2N2CCS(=O)(=O)CC2)N1 ZINC000587847399 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2N2CCS(=O)(=O)CC2)N1 ZINC000587847400 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)N1 ZINC000587847401 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)N1 ZINC000587847402 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848696 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848697 IF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848698 IF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848699 IF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850298 IF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850308 IF Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850310 IF Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850311 IF Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852174 IF Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852178 IF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852383 IF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852385 IF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1ncn2nccc2c1=O ZINC000587859714 IF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000587860184 IF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000587860188 IF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCS(=O)(=O)CC1 ZINC000587861236 IF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Cl)cc(C(=O)NN)n1 ZINC000587861665 IF Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(O)nc1O ZINC000587863401 IF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000587863406 IF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000587863710 IF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(O)nc1O ZINC000587866536 IF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000587866553 IF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1ncn2nccc2c1=O ZINC000587866751 IF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000587866769 IF Annotated Anodyne COCCn1ncc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(Cl)c1=O ZINC000587867655 IF Annotated Anodyne COc1nn(CCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] ZINC000587868232 IF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC000587868245 IF Annotated Anodyne COc1nn([C@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] ZINC000587868749 IF Annotated Bother COc1nn([C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] ZINC000587868750 IF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587869107 IF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[S@@](=O)Cn1cc(Cl)cn1 ZINC000587869295 IF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[S@](=O)Cn1cc(Cl)cn1 ZINC000587869297 IF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1=NN/C(=C\c2ccccc2)C(=O)N1 ZINC000587869490 IF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1=NN/C(=C/c2ccccc2)C(=O)N1 ZINC000587869491 IF Annotated Anodyne CCS(=O)(=O)N1CCC(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)CC1 ZINC000587869671 IF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCN1C(=O)CN(C)C1=O ZINC000587869881 IF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(N2CCOCC2)n1 ZINC000587869957 IF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCSSCCC(=O)NN ZINC000587870051 IF Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1c(O)nc2ccccc2c1=O ZINC000587870056 IF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000587870183 IF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C(=O)NN)c(Cl)c(N)c1Cl ZINC000587870669 IF Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)CS(=O)(=O)Cn1cc(Cl)cn1 ZINC000587871597 IF Annotated Anodyne O=[N+]([O-])c1ccc(-n2nc3cc2oc2ccc(F)cc32)c(S(=O)(=O)N2CCOCC2)c1 ZINC000587875298 IF Annotated Bother COC(=O)/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C(/Br)C=O ZINC000587875616 IF Annotated Reactive COC(=O)/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C(\Br)C=O ZINC000587875617 IF Annotated Reactive COC(=O)/C(Br)=C(\C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C=O ZINC000587875649 IF Annotated Reactive COC(=O)/C(Br)=C(/C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C=O ZINC000587875650 IF Annotated Reactive CCOC(=O)c1nn(C(=O)CCn2nc(C)c(Br)c2C)c(OCC)c1C#N ZINC000587875829 IF Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](C)n2nc(C)c(Br)c2C)c(OCC)c1C#N ZINC000587875845 IF Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)n2nc(C)c(Br)c2C)c(OCC)c1C#N ZINC000587875848 IF Annotated Mild CN1CCN(S(=O)(=O)c2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)CC1 ZINC000587876925 IF Annotated Anodyne COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c([N+](=O)[O-])c1 ZINC000587877327 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-n1cc(C(=O)O)nn1 ZINC000587878944 IF Annotated Mild C[C@@]1(c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)NC(=O)NC1=O ZINC000587879670 IF Annotated Mild C[C@]1(c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)NC(=O)NC1=O ZINC000587879671 IF Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1N ZINC000587880004 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)c(-n2cncn2)c1 ZINC000587880731 IF Annotated Mild COC(=O)c1nc(NC(C)=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880968 IF Annotated Mild COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)nc(O)c1C#N ZINC000587881024 IF Annotated Mild COC(=O)c1nc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587881361 IF Annotated Mild NNC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587881399 IF Annotated Reactive NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N1CCOCC1 ZINC000587881414 IF Annotated Mild O=C(O)CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587881428 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cnc1N1CCOCC1 ZINC000587881719 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CN2C(=O)COCC2=O)c1 ZINC000587881966 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@H]2CC(=O)NC(=O)N2)c1 ZINC000587882373 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@@H]2CC(=O)NC(=O)N2)c1 ZINC000587882374 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-n2cc(C(=O)O)nn2)c1 ZINC000587882417 IF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cc1nn[nH]n1 ZINC000587882526 IF Annotated Mild NC(=O)N[C@H](CC(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882642 IF Annotated Mild NC(=O)N[C@@H](CC(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882643 IF Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)N2CCOCC2)c1 ZINC000587883046 IF Annotated Mild COC(OC)C(=O)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883921 IF Annotated Mild NC(=O)Cn1cc(C=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587883929 IF Annotated Mild COCCN1C(=O)C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884122 IF Annotated Mild O=C(O)CN1C(=O)COc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884301 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CN2CCNCC2)cc1 ZINC000587884405 IF Annotated Mild COCCN1C(=O)C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884499 IF Annotated Mild C#CCN1C(=O)C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884501 IF Annotated Mild C[C@@H](NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884815 IF Annotated Mild C[C@H](NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884817 IF Annotated Mild CCOC(=O)CNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885104 IF Annotated Mild NC(=O)N[C@H](CC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885117 IF Annotated Mild NC(=O)N[C@@H](CC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885118 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(OCCO1)C(=O)N2 ZINC000587885233 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](CO)N2CCNCC2)cc1 ZINC000587885347 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](CO)N2CCNCC2)cc1 ZINC000587885348 IF Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C(=O)OC ZINC000587885421 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2cc(C(=O)O)nn2)cc1 ZINC000587885966 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1C(=O)O)OCC(=O)N2 ZINC000587885971 IF Annotated Mild Nc1nnc2c(n1)[nH]c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587887003 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCCn2ccnc2)nc1 ZINC000587887106 IF Annotated Mild NC(=O)C1CCN(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000587887121 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)N2CCOCC2)nc1 ZINC000587887232 IF Annotated Mild O=C(O)CCC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887307 IF Annotated Mild COC(=O)c1cc(NC(C)=O)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887448 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000587887500 IF Annotated Mild COC(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC(C)=O ZINC000587887660 IF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C(=O)N(C)OC ZINC000587887707 IF Annotated Mild CCOC(=O)c1nn2cccnc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888042 IF Annotated Mild CCOC(=O)c1cnc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnn2c1 ZINC000587888328 IF Annotated Mild CCOC(=O)c1nn2c(c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCCC2 ZINC000587888414 IF Annotated Mild N=c1c(Br)c[nH]c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587889649 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2ccc(N3CCOCC3)nn12 ZINC000587890329 IF Annotated Mild CCOC(=O)c1nc2ncccn2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890521 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn2ncnc2c(Br)n1 ZINC000587890735 IF Annotated Mild NNC(=O)c1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890922 IF Annotated Reactive CCOC(=O)c1ncc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn12 ZINC000587891065 IF Annotated Mild CCOC(=O)c1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2n1 ZINC000587891124 IF Annotated Mild CC(C)(C)OC(=O)NC[C@@H]1C=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)NO1 ZINC000587891125 IF Annotated Mild CC(C)(C)OC(=O)NC[C@H]1C=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)NO1 ZINC000587891126 IF Annotated Mild CCOC(=O)c1cnn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc12 ZINC000587891193 IF Annotated Mild CCOC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ncc2n1 ZINC000587891229 IF Annotated Mild CCOC(=O)c1cnn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccnc12 ZINC000587891238 IF Annotated Mild COc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2c([N+](=O)[O-])cnc12 ZINC000587891321 IF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CN2CCNC(=O)C2)c(F)c1 ZINC000587894535 IF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CS(N)(=O)=O)c1 ZINC000587895158 IF Annotated Mild Cc1cc(NS(N)(=O)=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895407 IF Annotated Mild CS(=O)(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C#N)c1 ZINC000587895416 IF Annotated Mild C#CCNS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895502 IF Annotated Mild CNS(=O)(=O)c1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895600 IF Annotated Mild CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(N)(=O)=O)c1 ZINC000587896155 IF Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc(S(N)(=O)=O)c1C ZINC000587896175 IF Annotated Mild COC(=O)C[S@@](=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896218 IF Annotated Mild COC(=O)C[S@](=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896221 IF Annotated Mild CS(=O)(=O)c1cc(C(=O)O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896241 IF Annotated Mild CN(C)S(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896249 IF Annotated Mild CN(C)S(=O)(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896287 IF Annotated Mild Cc1cc(S(N)(=O)=O)c(C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896506 IF Annotated Mild NS(=O)(=O)c1cccc2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587896512 IF Annotated Mild CON(C)S(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896704 IF Annotated Mild Cc1ccc(CS(N)(=O)=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896718 IF Annotated Mild CS(=O)(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)n1 ZINC000587896764 IF Annotated Mild Cn1nnnc1Sc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587896796 IF Annotated Mild CN(C)S(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896814 IF Annotated Mild Nn1c(S)nnc1Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896816 IF Annotated Mild Nn1c(S)nnc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896832 IF Annotated Mild CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O ZINC000587896900 IF Annotated Mild C[C@@H]1[C@@H](N)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2S1(=O)=O ZINC000587897120 IF Annotated Mild CNS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C ZINC000587897156 IF Annotated Mild Nn1c(S)nnc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897239 IF Annotated Mild CN(CC(=O)O)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897824 IF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 ZINC000587908092 IF Annotated Mild COC(=O)Cn1nc(Br)c([N+](=O)[O-])c1C#Cc1cc(Cl)ccc1OC ZINC000587911468 IF Annotated Mild COC(=O)Cn1nc(C#Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1Br ZINC000587911734 IF Annotated Mild CCN(c1ccc(-c2csc(-c3cccc(S(N)(=O)=O)c3)n2)cc1)S(C)(=O)=O ZINC000587923005 IF Annotated Anodyne CN(c1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1)S(C)(=O)=O ZINC000587923677 IF Annotated Anodyne CN(c1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1)S(C)(=O)=O ZINC000587923678 IF Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1OC ZINC000587925942 IF Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cc(O)cc(C(=O)O)c2)c1OCC ZINC000587926783 IF Annotated Anodyne COc1cc(C2(c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)CC2)ccc1C ZINC000587927627 IF Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cc(O)cc(C(=O)O)c2)c1OCC ZINC000587927757 IF Annotated Anodyne COc1ccc(/C=C\Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(OC)c1 ZINC000587929046 IF Annotated Anodyne COc1ccc(/C=C/Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(OC)c1 ZINC000587929047 IF Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(OC)c1 ZINC000587929662 IF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587931607 IF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587931610 IF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587931612 IF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587931615 IF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OC ZINC000587934948 IF Annotated Anodyne COC(=O)c1cc(-n2c(O)ccc2OCC[C@H](N)C(=O)O)c(Cl)cc1Br ZINC000587936382 IF Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1OC ZINC000587936904 IF Annotated Bother Cn1cc(-c2cccc(Br)c2-n2c(O)ccc2OCC[C@H](N)C(=O)O)cn1 ZINC000587936911 IF Annotated Anodyne COC(=O)c1cc(-n2c3c(c4c2OC(=O)C4)CC(=O)O3)c(Cl)cc1Br ZINC000587937673 IF Annotated Anodyne COC(=O)c1cc(OC)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1OC ZINC000587938070 IF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587938250 IF Annotated Anodyne CCOc1cc(-n2c(O)cc([C@H](CC(=O)O)C(=O)OC)c2OC)c(Cl)cc1C(=O)O ZINC000587939689 IF Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O)c1cccc(Br)c1 ZINC000587941300 IF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(NCc2ccccc2Br)c1OC ZINC000587941302 IF Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O)c1cccc(Br)c1 ZINC000587941303 IF Annotated Anodyne CN(C)[C@H](Cn1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O)c1cccc(Br)c1 ZINC000587941304 IF Annotated Anodyne CN(C)[C@H](Cn1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O)c1cccc(Br)c1 ZINC000587941305 IF Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)C(=O)O ZINC000587943524 IF Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cc(F)c(Br)cc2F)c1OC ZINC000587943628 IF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cc(F)c(Br)cc1F ZINC000587943865 IF Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cc(F)c(Br)cc2F)c1OC ZINC000587943887 IF Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O ZINC000587943996 IF Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O ZINC000587943997 IF Annotated Bother COC(=O)c1cc(OC)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1OC ZINC000587944369 IF Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OC ZINC000587944382 IF Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OC ZINC000587944388 IF Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2OCC[C@H](N)C(=O)O)n1 ZINC000587944739 IF Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc([C@@H](CC(=O)O)C(=O)O)c2O)n1 ZINC000587945074 IF Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc([C@H](CC(=O)O)C(=O)O)c2O)n1 ZINC000587945078 IF Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cc(C)n(Cc3ccccc3F)n2)c1OC ZINC000587945249 IF Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945632 IF Annotated Bother COC(=O)[C@@H](CC(=O)O)c1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OC ZINC000587945716 IF Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OC ZINC000587945719 IF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cc(C)n(Cc3ccccc3F)n2)c1OC ZINC000587945725 IF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OC ZINC000587946147 IF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OC ZINC000587946155 IF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OC ZINC000587946499 IF Annotated Anodyne O=C(c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587951498 IF Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1 ZINC000587952507 IF Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1 ZINC000587952508 IF Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H]1C(=O)O ZINC000587971017 IF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587971018 IF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@H]1C(=O)O ZINC000587971019 IF Annotated Anodyne CC[N+]1=C(/C=C2\Sc3ccccc3N2C)S/C(=C\C=c2/nc3c(o2)=CC=CN3C)C1=O ZINC000059046279 IF Annotated Clean Cc1[nH]c2ccccc2c1C1=C(C(=O)N2CCN(c3ccccc3)CC2)C(=O)N(C)C1=O ZINC000059096078 IF Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](OC(C)=O)C=C3C(=O)OC[C@]32O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000059110250 IF Annotated Anodyne COc1ccc([C@@H](O)[C@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2CO)cc1OC ZINC000059184936 IF Annotated Anodyne COC(=O)[C@]1(Cc2ccc(O)c(CCC(C)(C)O)c2)OC(=O)C(O)=C1c1ccc(O)cc1 ZINC000059205094 IF Annotated Anodyne Nc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)O)cn3C1(CCC1)CO2 ZINC000059223388 IF Annotated Anodyne Nc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)O)cn3C1(CCO2)CC1 ZINC000059223657 IF Annotated Anodyne CNc1nc(C)nc(N2CCC(C(=O)NCc3ccc(OC)cc3C(F)(F)F)CC2)n1 ZINC000059255388 IF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)NCc2nc(C3CC3)no2)c1 ZINC000059337359 IF Annotated Anodyne Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)on1 ZINC000059434680 IF Annotated Anodyne Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)on1 ZINC000059434681 IF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 ZINC000059545799 IF Annotated Anodyne C=C([C@H](CC=C(C)C)O/C=C(/C)C(C)=O)[C@H]1[C@H](OC(C)=O)C(=O)[C@@]2(C)O[C@H]2[C@@H]1OC(C)=O ZINC000059588426 IF Annotated Mild in-vitro biogenic CCCC(=O)c1c(O)c(C)c(O)c(C[C@@H]2C(=O)[C@H](C(=O)CC)C(=O)C(C)(C)C2=O)c1O ZINC000059671545 IF Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)c1O ZINC000059671546 IF Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)c1O ZINC000059671547 IF Annotated Anodyne CC(C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C[C@H]3C[C@](O)(CO)[C@H]4CC[C@]32C4)[C@]1(C)CO ZINC000059779141 IF Annotated Anodyne Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)on1 ZINC000059796166 IF Annotated Anodyne Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)on1 ZINC000059796168 IF Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)O ZINC000006002007 IF Annotated Anodyne CC(C)CNC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006015113 IF Annotated Anodyne O=C(O)CCC(=O)O[C@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O ZINC000006017810 IF Annotated Bother COC(=O)C(C(=O)OC)[C@@H]1CC(=O)c2c(Br)sc(Br)c21 ZINC000006018904 IF Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@@H](CN3C(=O)CC[C@@H]3[C@@H]1O)c1cc(OC)c(OC)cc1-2 ZINC000006041141 IF Annotated Anodyne C=CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(CC)cc3)cc2c1=O ZINC000006181202 IF Annotated Mild O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000006183120 IF Annotated Anodyne in-vivo C#C/C=C(\c1ccc(S(C)(=O)=O)cc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000006278116 IF Annotated Mild CC[C@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000006296489 IF Annotated Anodyne CCOC(=O)C1=C(NC(=O)Cn2cnc3ccccc3c2=O)Nc2ccccc2N=C1CC ZINC000006498581 IF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061895535 IF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061895834 IF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061895835 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061896047 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061896048 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)C1CCCCC1 ZINC000061896392 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)C1CCCCC1 ZINC000061896393 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1cccc(F)c1 ZINC000061897385 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1cccc(F)c1 ZINC000061897387 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000061897906 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000061897908 IF Annotated Anodyne CC(=O)Nc1ccc(C(=O)N2CCOC[C@@H]2c2cc(C(=O)NCc3ccccc3)no2)cc1 ZINC000061902332 IF Annotated Anodyne CC(=O)Nc1ccc(C(=O)N2CCOC[C@H]2c2cc(C(=O)NCc3ccccc3)no2)cc1 ZINC000061902334 IF Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000061902749 IF Annotated Mild CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000061902750 IF Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1cccc2ccccc12 ZINC000061903115 IF Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1cccc2ccccc12 ZINC000061903116 IF Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1cccc2ccccc12 ZINC000061903137 IF Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1cccc2ccccc12 ZINC000061903138 IF Annotated Mild C[C@]1(C(=O)NS(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)c1ccccc1 ZINC000061904308 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)c1ccccc1 ZINC000061904309 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000061904497 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000061904498 IF Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cn2c1N(CC)CCOC ZINC000061904841 IF Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061904905 IF Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061904906 IF Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)on1 ZINC000061905100 IF Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)on1 ZINC000061905101 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)C1CCCCC1 ZINC000061905232 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)C1CCCCC1 ZINC000061905233 IF Annotated Anodyne Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc(=O)n1Cc1ccc2c(c1)OCO2 ZINC000061906115 IF Annotated Bother COc1cccc(CN2CC[C@]2(C)C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1OC ZINC000061906132 IF Annotated Anodyne COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1OC ZINC000061906133 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)CCN1C(=O)c1ccccc1 ZINC000061906319 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)CCN1C(=O)c1ccccc1 ZINC000061906320 IF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061907762 IF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061907763 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061907806 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061907807 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)CC1CCCC1 ZINC000061908042 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)CC1CCCC1 ZINC000061908043 IF Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)NC(c1ccccc1)c1ccccc1 ZINC000061908296 IF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)c2ccc3sc([C@H]4C[C@H](O)[C@@H](CO)O4)nc3c2)cc1 ZINC000061908626 IF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1CCC1=CCCCC1 ZINC000061920945 IF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1CCC1=CCCCC1 ZINC000061920946 IF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(Cc2ccccc2)C1=O ZINC000061921211 IF Annotated Anodyne COc1ccc([C@H]2N[C@]3(CCCN(CC4CCCCC4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921213 IF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2ccc(F)cc2)C1=O ZINC000061921231 IF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2ccccc2)C1=O ZINC000061921234 IF Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921241 IF Annotated Anodyne Cc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C)cc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]43)C2=O)cc1 ZINC000061921246 IF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)N[C@]21CCCN(Cc2ccc(C)cc2)C1=O ZINC000061921256 IF Annotated Anodyne COc1cc2nc3n(c(=O)c2cc1OC)-c1ncccc1C(=O)N[C@@H]3Cc1ccccc1 ZINC000061921441 IF Annotated Anodyne COc1cc2nc3n(c(=O)c2cc1OC)-c1ncccc1C(=O)N[C@H]3Cc1ccccc1 ZINC000061921442 IF Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)CC(C(=O)N(CC)CC)=C1C ZINC000061921487 IF Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)CC(C(=O)N(CC)CC)=C1C ZINC000061921488 IF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NCCCN(C)C)C1 ZINC000061921517 IF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NCCCN(C)C)C1 ZINC000061921519 IF Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921972 IF Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921973 IF Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921988 IF Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921989 IF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccccc1 ZINC000061922005 IF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccccc1 ZINC000061922006 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)C ZINC000061922564 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000061922781 IF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCc2cccs2)C1 ZINC000061922969 IF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCc2cccs2)C1 ZINC000061922970 IF Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923357 IF Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CCCC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923358 IF Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccco3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923374 IF Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccco3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923375 IF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000061923466 IF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000061923468 IF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NC2CC2)C1 ZINC000061923569 IF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NC2CC2)C1 ZINC000061923570 IF Annotated Anodyne CC(=O)OC[C@@H]1CN(Cc2ccccc2)C[C@H](n2cnc3c(N(C)C(C)C)ncnc32)O1 ZINC000061925544 IF Annotated Anodyne CC(=O)NCCNC(=O)Cn1nnc(-c2ccccc2)c1COc1ccc2ccccc2c1 ZINC000061925751 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000061925994 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000061925995 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061926620 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061926621 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061926662 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061926663 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000061927036 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000061927037 IF Annotated Anodyne O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc2[nH]c([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061927188 IF Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)no1 ZINC000061927512 IF Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)no1 ZINC000061927514 IF Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)NC(c1ccccc1)c1ccccc1 ZINC000061928013 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)c1ccco1 ZINC000061928120 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)c1ccco1 ZINC000061928121 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000061928483 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000061928484 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2Br)C1 ZINC000061928663 IF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2Br)C1 ZINC000061928664 IF Annotated Anodyne Cc1c(C(=O)NCc2ccc(C#N)cc2)sc(=O)n1Cc1ccc(C(=O)N(C)C)cc1 ZINC000061928922 IF Annotated Mild CN(C)c1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 ZINC000061929329 IF Annotated Clean CN(C)c1ccc(CNC(=O)[C@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 ZINC000061929332 IF Annotated Clean COc1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1OC ZINC000061930300 IF Annotated Anodyne COc1ccc(CNC(=O)[C@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1OC ZINC000061930301 IF Annotated Anodyne C[C@]1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCN1Cc1ccccc1OC(F)F ZINC000061930318 IF Annotated Anodyne C[C@@]1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCN1Cc1ccccc1OC(F)F ZINC000061930320 IF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061930426 IF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061930428 IF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(Cl)cc3)N1[C@@]2(CC)C(=O)OC ZINC000061944621 IF Annotated Anodyne COC(=O)c1ccc(CNC(=O)Cn2cnc3c(OCc4ccccc4)ncnc32)cc1 ZINC000061947305 IF Annotated Anodyne CON(C)C(=O)C[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CN1C(=O)OC(C)(C)C ZINC000061948192 IF Annotated Bother O=C1CCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@@H]2CO1 ZINC000061948438 IF Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000061948579 IF Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CC/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000061948590 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)CN(Cc3ccccc3)C(=O)[C@@]12C ZINC000061949425 IF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]12C ZINC000061949427 IF Annotated Anodyne COc1ccc(N=C2S[C@@H](C(N)=O)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000061953938 IF Annotated Anodyne COc1ccc(N=C2S[C@H](C(N)=O)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000061953941 IF Annotated Anodyne CC#CCN1C=C(C(=O)OCC)[C@@H](C)N(Cc2ccc(Br)cc2)S1(=O)=O ZINC000061958975 IF Annotated Mild CC[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000061959705 IF Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000061959706 IF Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccccc3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000061959735 IF Annotated Anodyne CC[C@@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1OC ZINC000061959745 IF Annotated Anodyne CC[C@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1OC ZINC000061959746 IF Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(-c3cccc(Cl)c3)c(OC)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061959792 IF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(C(C)=O)cc3)cc1)N[C@@]2(C)C(=O)OC ZINC000061959797 IF Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C#N)[C@H]3CC[C@@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@H]3CC[C@]2(O)C1 ZINC000618001754 IF Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C#N)[C@H]3CC[C@@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@@]2(O)C1 ZINC000618001755 IF Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C#N)[C@H]3CC[C@@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 ZINC000618001756 IF Annotated Mild Cc1cc(NC(=O)CSc2nc3nncc-3c(O)n2-c2ccc(C)c(Cl)c2)n[nH]1 ZINC000618007503 IF Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000618007633 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000618007635 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000618007646 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000618007647 IF Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)c2cc3cccc(O)c3cc2O)CC1 ZINC000618007676 IF Annotated Reactive CSc1ncccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618007705 IF Annotated Reactive Cc1ccc(O)c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618007738 IF Annotated Reactive Cc1ccc(O)c(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618007739 IF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000618007751 IF Annotated Reactive CC(=O)c1ccccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618007753 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000618007947 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000618007948 IF Annotated Reactive CC(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007980 IF Annotated Reactive Cc1ccc(O)c(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1 ZINC000618008063 IF Annotated Reactive COc1cccc2cc(C(=O)N3CCC(C(=O)NCCSSCCN)CC3)oc12 ZINC000618008075 IF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000618008152 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1 ZINC000618008240 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1 ZINC000618008241 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000618008246 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000618008247 IF Annotated Reactive Cc1ccc(OCC(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc1 ZINC000618008724 IF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000618008891 IF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000618008892 IF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000618009051 IF Annotated Reactive CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000618009209 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000618009364 IF Annotated Reactive Cc1cc(C)n2ncc(C(=O)NCc3cn(CCCSSCCN(C)C)nn3)c2c1 ZINC000618009818 IF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000618010148 IF Annotated Reactive O=C1N=NC(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)=N1 ZINC000618013241 IF Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(CCC(C)C)C(=O)c2cc(Cl)cc(Cl)n2)[C@H]1N ZINC000618014007 IF Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H](N(CCC(C)C)C(=O)c2cc(Cl)cc(Cl)n2)[C@H]1N ZINC000618014016 IF Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(CCC(C)C)C(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1N ZINC000618014017 IF Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H](N(CCC(C)C)C(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1N ZINC000618014018 IF Annotated Anodyne O=C1N=c2cc(Br)c(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2=N1 ZINC000618014897 IF Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(CC)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H]1N ZINC000618015629 IF Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H](N(CC)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H]1N ZINC000618015630 IF Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(CC)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H]1N ZINC000618015631 IF Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H](N(CC)Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H]1N ZINC000618015632 IF Annotated Anodyne O=C(CCN1C(=O)NC(=O)[C@@H]2CCCC[C@H]21)NC[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000618015686 IF Annotated Anodyne O=C(CCN1C(=O)NC(=O)[C@@H]2CCCC[C@@H]21)NC[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000618015691 IF Annotated Anodyne O=C(CCN1C(=O)NC(=O)[C@@H]2CCCC[C@@H]21)NC[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000618015692 IF Annotated Anodyne O=C(CCN1C(=O)NC(=O)[C@@H]2CCCC[C@H]21)NC[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000618015693 IF Annotated Anodyne CCCCN(C)C(=O)CCCCN1C(=O)[C@@H]2C[C@H](OCC)[C@H](OCC)C[C@H]2NC1=S ZINC000618016411 IF Annotated Anodyne CCCCN(C)C(=O)CCCCN1C(=O)[C@@H]2C[C@H](OCC)[C@@H](OCC)C[C@@H]2NC1=S ZINC000618016412 IF Annotated Anodyne CCCCN(C)C(=O)CCCCN1C(=O)[C@@H]2C[C@H](OCC)[C@H](OCC)C[C@@H]2NC1=S ZINC000618016413 IF Annotated Anodyne CCCCN(C)C(=O)CCCCN1C(=O)[C@@H]2C[C@H](OCC)[C@@H](OCC)C[C@H]2NC1=S ZINC000618016414 IF Annotated Anodyne C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000618016905 IF Annotated Reactive Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)C2(Cc3cccc(F)c3)CCN(C)CC2)[C@H]1O ZINC000618016919 IF Annotated Anodyne Cc1nc2ccccc2n1CCCC(=O)N1[C@H](C(N)=O)C[C@@H](N(C)C)[C@@H]1c1ccccc1 ZINC000618016925 IF Annotated Anodyne C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)NCCOc3ccccc3)[C@H]1CCCC(=O)N2 ZINC000618016932 IF Annotated Anodyne Cc1ccc(C(=O)N2CCC[C@]3(C/C=C/Cc4ccccc4OCC(=O)NC3)C2)c(=O)n1C ZINC000618016990 IF Annotated Anodyne Cc1ccc(C(=O)N2CCC[C@@]3(C/C=C/Cc4ccccc4OCC(=O)NC3)C2)c(=O)n1C ZINC000618016991 IF Annotated Anodyne CC(=O)N1CCC(C(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCC2)CC1 ZINC000618017006 IF Annotated Anodyne CN1CCCCN(C(=O)c2ccc3nn[nH]c3c2)CCOc2ccc(Cl)cc2C1=O ZINC000618018173 IF Annotated Anodyne Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000062225010 IF Annotated Anodyne Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000062225013 IF Annotated Anodyne Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000062225017 IF Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)C(=O)OC(C)C)c(=O)n(C)c3nc12 ZINC000621431708 IF Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)C(=O)OC(C)C)c(=O)n(C)c3nc12 ZINC000621431709 IF Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4nc(C)cs4)c(=O)n(C)c3nc12 ZINC000621431842 IF Annotated Anodyne CN(C)CCNC(=O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 ZINC000621476383 IF Annotated Bother CS(=O)(=O)NC(=O)c1ccc(N2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)cc1 ZINC000621476413 IF Annotated Anodyne O=c1c(=O)n(CNc2ccc(Cl)cc2)c2nonc2n1CNc1ccc(Cl)cc1 ZINC000621477792 IF Annotated Anodyne O=C(Nc1nn[nH]n1)c1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000621485742 IF Annotated Anodyne C=CS(=O)(=O)Nc1cccc(-c2ccc(N3CCC[C@H](NS(=O)(=O)C=C)C3)o2)c1 ZINC000621485821 IF Annotated Anodyne CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)cc1 ZINC000064251831 IF Annotated Anodyne CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(-c3cccc(CN4CCCS4(=O)=O)c3)cc2C1 ZINC000064311426 IF Annotated Anodyne COc1cc(/C=c2\[nH]c3n(c2=O)[C@@H](c2ccc(F)cc2)CCCN=3)ccc1-n1cnc(C)c1 ZINC000064361649 IF Annotated Anodyne Cc1ccccc1-c1nnc(Cc2nn(CCN3CCOCC3)c(=O)c3ccccc23)o1 ZINC000064393127 IF Annotated Anodyne CCCCCn1cc(CN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)C2CC2)nn1 ZINC000064394281 IF Annotated Anodyne CCCCCn1cc(CN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C2CC2)nn1 ZINC000064394282 IF Annotated Anodyne O=C(O)COCC(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000064416921 IF Annotated Mild O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000064436563 IF Annotated Bother O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000064436565 IF Annotated Bother Cc1c(N2C(=O)C(Cl)=C(NCCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000064446897 IF Annotated Anodyne CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1 ZINC000064446911 IF Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1 ZINC000064453664 IF Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1 ZINC000064453666 IF Annotated Reactive O=C1/C(=C/c2ccccc2[N+](=O)[O-])CN(P(=O)(O)O)C/C1=C\c1ccccc1[N+](=O)[O-] ZINC000064503705 IF Annotated Mild CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@@H](CO)c4ccccc4)c23)C1 ZINC000064513219 IF Annotated Anodyne O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1Cl ZINC000064516709 IF Annotated Bother O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1Cl ZINC000064516711 IF Annotated Bother O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000064526759 IF Annotated Anodyne N#Cc1nc(CCCNC2(C(N)=O)CCOCC2)cc(-c2cccc(C(F)(F)F)c2)n1 ZINC000064526948 IF Annotated Mild O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(P(=O)(O)O)C/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000064526963 IF Annotated Mild CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1 ZINC000064526978 IF Annotated Anodyne NC(=O)CN(Cc1nc2ccccc2s1)C(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O ZINC000064526994 IF Annotated Anodyne COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21 ZINC000064527682 IF Annotated Mild CC(C)N1CCN(C(=O)c2ccc3c(CN4CCCCC4)cn(S(C)(=O)=O)c3c2)CC1 ZINC000064528203 IF Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(c4ccccn4)CC3)c(N)cc2c1=O ZINC000064540678 IF Annotated Anodyne O=C(O)c1ccccc1C(=O)NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O ZINC000064574011 IF Annotated Anodyne O=C(O)c1ccccc1C(=O)NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000064574012 IF Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1 ZINC000006577217 IF Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1 ZINC000006577218 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000006577376 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000006577377 IF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000006577394 IF Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000006577395 IF Annotated Anodyne O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc12 ZINC000006577528 IF Annotated Anodyne O=C([C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc12 ZINC000006577529 IF Annotated Anodyne CCc1nn(CC(=O)NCCCN2CCc3ccccc3C2)c(=O)c2cc3sccc3n12 ZINC000006577938 IF Annotated Anodyne Cc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000006578053 IF Annotated Anodyne CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000006631781 IF Annotated Anodyne COc1ccc2nccc(N3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000006716196 IF Annotated Anodyne C[C@H]1COC(=O)CCCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000006795765 IF Annotated Anodyne CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000006821053 IF Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)c1 ZINC000653621404 IF Annotated Mild COc1cccc(C#Cc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)c1 ZINC000653621405 IF Annotated Mild C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@H]4C[C@@H]3CO4)n2)C1 ZINC000653664360 IF Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653664361 IF Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653664362 IF Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@H]4C[C@@H]3CO4)n2)C1 ZINC000653665378 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@H]3C[C@H]4F)n2)cc1OC(F)F ZINC000653665386 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@H]3C[C@@H]4F)n2)cc1OC(F)F ZINC000653665387 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC34CC4)n2)cc1OC(F)F ZINC000653667558 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC[C@H](F)C3)n2)cc1OC(F)F ZINC000653667569 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC[C@@H](F)C3)n2)cc1OC(F)F ZINC000653667570 IF Annotated Anodyne Nc1ncc(-c2cc(N3CC[C@]4(CCOC4)C3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653667583 IF Annotated Anodyne Nc1ncc(-c2cc(N3CC[C@@]4(CCOC4)C3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653667584 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653667748 IF Annotated Anodyne Nc1ncc(-c2cc(N3CCC4(COC4)C3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653668786 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CC[C@H]3C4)n2)cc1OC(F)F ZINC000653668879 IF Annotated Anodyne Nc1ncc(-c2cc(N3CCC4(CC3)COC4)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653668903 IF Annotated Anodyne COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(C2CC2)n1 ZINC000653670149 IF Annotated Anodyne C[C@@H]1CN(C2COC2)CCN1c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 ZINC000653670271 IF Annotated Anodyne C[C@H]1CN(C2COC2)CCN1c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 ZINC000653670272 IF Annotated Anodyne COCCN1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)[C@H](C)C1 ZINC000653670295 IF Annotated Anodyne COCCN1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)[C@@H](C)C1 ZINC000653670296 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4CCO[C@H]4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653671220 IF Annotated Anodyne CC1=C(F)CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653680460 IF Annotated Anodyne COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 ZINC000653681064 IF Annotated Anodyne C[C@@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1nccn1C ZINC000653682165 IF Annotated Anodyne C[C@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1nccn1C ZINC000653682166 IF Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CCC3)n2)cc1OC(F)F ZINC000653682395 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)CC3)n2)cc1OC(F)F ZINC000653684989 IF Annotated Anodyne COCCN1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C[C@H]1C ZINC000653684995 IF Annotated Anodyne COCCN1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C[C@@H]1C ZINC000653684997 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC4)C3)n2)cc1OC(F)F ZINC000653685028 IF Annotated Anodyne Nc1ncc(-c2cc(N3CCCOCC3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653685051 IF Annotated Anodyne C[C@@H]1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)CCN1C1COC1 ZINC000653686445 IF Annotated Anodyne C[C@H]1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)CCN1C1COC1 ZINC000653686446 IF Annotated Anodyne C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2cc(C)c(-c3cccc(N)c3)c(C)c21 ZINC000653687126 IF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2cc(C)c(-c3cccc(N)c3)c(C)c21 ZINC000653687127 IF Annotated Mild O=C1c2cc3c(cc2-c2c1c1cc(Cl)c(Cl)cc1c(=O)n2C[C@H](O)CO)OCO3 ZINC000653687409 IF Annotated Clean CCOC(=O)c1[nH]c2ccc(Br)cc2c1/C=N\NC(=O)c1cc[n+]([O-])cc1 ZINC000653690544 IF Annotated Reactive O=C1c2cc3c(cc2-c2c1c1ccc(F)cc1c(=O)n2CCCN1CCOCC1)OCO3 ZINC000653691281 IF Annotated Clean CC(C)c1cccc(OCCN2[C@H]3CC[C@H]2CC(NS(=O)(=O)c2cnn(C)c2)C3)c1 ZINC000653695846 IF Annotated Anodyne COc1cccc(-c2cn(C)c(=O)c3cc(/C(N)=N/C4CCS(=O)(=O)CC4)sc23)c1 ZINC000653699464 IF Annotated Mild CN(C)CCCO/N=C1\c2ccccc2-c2nc3c(C(=O)NCCN(C)C)cccc3nc21 ZINC000653699917 IF Annotated Mild CC(C)C(=O)c1c(C(F)(F)F)[n+](=O)c2cc(N(C)C)c(N3CCOCC3)cc2n1O ZINC000653700734 IF Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4cc(C)[nH]n4)nn3)ccc2O)c1 ZINC000653702308 IF Annotated Anodyne O=C(O)C[C@H](NC(=O)Cn1cc(CCCNc2nc3ccccc3[nH]2)nn1)c1ccccc1 ZINC000653707170 IF Annotated Anodyne COc1cc(OC)c2c(=O)cc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)oc2c1 ZINC000653708756 IF Annotated Bother CC(C)Oc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1C#N ZINC000653714198 IF Annotated Mild CC(C)(C)OC(=O)NC1CCN(c2cc(-c3nccs3)nc(NCCC(=O)O)n2)CC1 ZINC000653714269 IF Annotated Anodyne C[C@]1(O)CCN(Cc2ccc(OC3CN(C(=O)c4nnc(-c5ccccc5)o4)C3)cc2)C1 ZINC000653718546 IF Annotated Anodyne C[C@@]1(O)CCN(Cc2ccc(OC3CN(C(=O)c4nnc(-c5ccccc5)o4)C3)cc2)C1 ZINC000653718547 IF Annotated Anodyne COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)nc1-2 ZINC000653719113 IF Annotated Anodyne COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)[C@H]4CCCO4)CC3)nc1-2 ZINC000653719114 IF Annotated Anodyne CCON1CCN=C1Nc1ccc(CCc2ccc(NC3=[N+](OCC)CCN3)cc2)cc1 ZINC000653722007 IF Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4cc(C)on4)nn3)ccc2O)c1 ZINC000653726636 IF Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ncco4)nn3)ccc2O)c1 ZINC000653728715 IF Annotated Anodyne COc1ccc(/C=N/NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000653728716 IF Annotated Reactive CC(C)(C)OC(=O)NC[C@](C)(CN)CNc1ccnc(O)c1-c1nc2c([nH]1)CCCC2 ZINC000653729614 IF Annotated Anodyne CC(C)(C)OC(=O)NC[C@@](C)(CN)CNc1ccnc(O)c1-c1nc2c([nH]1)CCCC2 ZINC000653729615 IF Annotated Anodyne Oc1ncnc2c(-n3cc(CCN4CCC(Cc5noc(C6CC6)n5)CC4)cn3)nccc12 ZINC000653735527 IF Annotated Anodyne O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N/N=C/c1ccc(F)cc1 ZINC000653736196 IF Annotated Reactive Nc1ncc(-c2cc(N3CC[C@H](N4CCOCC4)C3)nc(C3CC3)n2)cc1OC(F)F ZINC000653747921 IF Annotated Anodyne Nc1ncc(-c2cc(N3CC[C@@H](N4CCOCC4)C3)nc(C3CC3)n2)cc1OC(F)F ZINC000653747922 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F ZINC000653748768 IF Annotated Anodyne Nc1ncc(-c2cc(C3CN(C4COC4)C3)cc(N3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653748771 IF Annotated Anodyne CCOC1(C)CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1 ZINC000653748795 IF Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CC5CC4C5)n3)[C@@H]2C1 ZINC000653750413 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1[C@@H]1CC1(F)F ZINC000653750440 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1[C@H]1CC1(F)F ZINC000653750441 IF Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CCCC3)n2)cc1OC(F)F ZINC000653751514 IF Annotated Anodyne C[C@@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccn(C)n1 ZINC000653752990 IF Annotated Anodyne C[C@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccn(C)n1 ZINC000653752991 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4(CCC4)C3)n2)cc1OC(F)F ZINC000653754931 IF Annotated Anodyne C[C@@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccnn1C ZINC000653755652 IF Annotated Anodyne C[C@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccnn1C ZINC000653755653 IF Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCCOCC3)n2)C1 ZINC000653755674 IF Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCCOCC3)n2)C1 ZINC000653755676 IF Annotated Anodyne COCCOc1ccc2c(c1[C@H](C)N1CCNCC1)O/C(=C\c1[nH]nc3ncccc13)C2=O ZINC000653755727 IF Annotated Mild COCCOc1ccc2c(c1[C@@H](C)N1CCNCC1)O/C(=C\c1[nH]nc3ncccc13)C2=O ZINC000653755728 IF Annotated Mild N[C@H]1C[C@@H](N2Cc3[nH]nc(NC(=O)c4nccs4)c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000653757072 IF Annotated Anodyne CN1CCN(c2ccc(-c3cn4c(-c5ccc(C(=O)N(C)C)cc5)cnc4cn3)cn2)CC1 ZINC000653757338 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H](C3)O4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653757383 IF Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3ccc(F)cc3)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653757803 IF Annotated Mild Nc1ncc(-c2cc([C@H]3[C@@H]4CN(C5COC5)C[C@@H]43)cc(N3CCC3)n2)cc1OC(F)F ZINC000653758363 IF Annotated Anodyne Nc1ncc(-c2cc(C3CN(C4COC4)C3)cc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653758383 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653758403 IF Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3ccc(F)cc3F)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653759982 IF Annotated Mild CN1CCN(c2ccc3nc(-c4cccc5c4OCCO5)c(-c4ccncc4)n3n2)CC1 ZINC000653760093 IF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3[nH]nc(NC(=O)c4ccncc4)c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000653760567 IF Annotated Anodyne CN1CCN(c2ccc3nc(-c4ccc5c(c4)OCCO5)c(-c4ccncc4)n3n2)CC1 ZINC000653762357 IF Annotated Anodyne COc1cc(-c2cnc3cnc(-c4ccc(NCCN5CCOCC5)nc4)cn23)ccc1O ZINC000653765593 IF Annotated Anodyne Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1 ZINC000653766292 IF Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653768947 IF Annotated Anodyne CN(C)CCN(C)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653769214 IF Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3ccccc3F)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653771365 IF Annotated Mild Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(Br)cc2)C3=O)n1 ZINC000653775540 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C[C@H]3CC3(F)F)n2)cc1OC(F)F ZINC000653775775 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C[C@@H]3CC3(F)F)n2)cc1OC(F)F ZINC000653775776 IF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC[C@H]3CF)n2)cc1OC(F)F ZINC000653778422 IF Annotated Anodyne O=C(c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1)N1CCC(O)CC1 ZINC000653778428 IF Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3cccc(F)c3)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653779441 IF Annotated Mild COc1ccc(CCn2cc(C(=O)NCCc3ccc(O)cc3)nn2)cc1Br ZINC000653780358 IF Annotated Anodyne O=C(NCCc1ccc(O)cc1)c1cn(CCc2ccc(O)c(Br)c2)nn1 ZINC000653780421 IF Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@H]23)cc[n+]1CC(=O)c1ccccc1 ZINC000653781521 IF Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@H]23)cc[n+]1CC(=O)c1ccccc1 ZINC000653781522 IF Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@@H]23)cc[n+]1CC(=O)c1ccccc1 ZINC000653781523 IF Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@@H]23)cc[n+]1CC(=O)c1ccccc1 ZINC000653781524 IF Annotated Mild CN1CCN(C[C@H]2CN(c3ccc(-n4cc(-c5ccccn5)cn4)c(F)c3)C(=O)O2)CC1 ZINC000653782566 IF Annotated Anodyne CCN1CCN(Cc2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccc(OC)c(O)c2)O3)CC1 ZINC000653784852 IF Annotated Clean Cc1cnc2c(C(=O)N[C@H]3CCOC[C@@H]3O)cn(Cc3ccc(-c4ccn(C)n4)cc3)c2c1 ZINC000653787416 IF Annotated Anodyne Cc1ccc2c(n1)c(C(=O)N[C@H]1CCOC[C@@H]1O)cn2Cc1ccc(-c2ccn(C)n2)cc1 ZINC000653787418 IF Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1)C(F)F ZINC000653790155 IF Annotated Anodyne CC[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653791280 IF Annotated Anodyne CC[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653791281 IF Annotated Anodyne O=C1CCC(=O)N1C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653793216 IF Annotated Anodyne Cc1c(S(C)(=O)=O)nn2c(Nc3cc(Cl)cc(Cl)c3)c3c(nc12)CCNC3=O ZINC000653793823 IF Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCN(C(=S)Nc4ccc(F)cc4)CC3)c2c1 ZINC000653793889 IF Annotated Anodyne O=C1O[C@@H](CN2CCC(O)CC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653802189 IF Annotated Anodyne COc1ccc(C(=O)C[n+]2ccn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@H]34)c2)cc1 ZINC000653803793 IF Annotated Mild COc1ccc(C(=O)C[n+]2ccn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@H]34)c2)cc1 ZINC000653803797 IF Annotated Mild COc1ccc(C(=O)C[n+]2ccn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@@H]34)c2)cc1 ZINC000653803798 IF Annotated Mild COc1ccc(C(=O)C[n+]2ccn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@@H]34)c2)cc1 ZINC000653803799 IF Annotated Mild Cc1ccnc2c(C(=O)N[C@H]3CCOC[C@@H]3O)cn(Cc3ccc(-c4ccn(C)n4)cc3)c12 ZINC000653805750 IF Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)(C)COCC(=O)O)c3ccccc23)cn1 ZINC000653806285 IF Annotated Anodyne C[C@H](NC(=O)c1n[nH]c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc12)C(N)=O ZINC000653807580 IF Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCN(C(=S)Nc4ccc(C)cc4)CC3)c2c1 ZINC000653808016 IF Annotated Anodyne COc1ccc(Cn2cc(C(=O)NCCc3ccc(O)cc3)nn2)cc1Br ZINC000653808146 IF Annotated Anodyne O=C(OC1CC1)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)C1CC1 ZINC000653811138 IF Annotated Anodyne N#Cc1c[nH]c2c(cnn2-c2ccccc2)c1=NCCCCNS(=O)(=O)c1ccccc1 ZINC000653817196 IF Annotated Mild COC1CN(C(=O)c2ccc3cncc(-c4ccc5nn(CC(C)(C)O)cc5c4)c3n2)C1 ZINC000653822696 IF Annotated Anodyne COC1CN(C(=O)c2ccc3cncc(-c4ccc5c(cnn5CC(C)(C)O)c4)c3n2)C1 ZINC000653822719 IF Annotated Anodyne COc1ccc(F)cc1OCCN[C@@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000653831421 IF Annotated Anodyne CCc1ccccc1OCCN[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653833207 IF Annotated Anodyne CCc1ccccc1OCCN[C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653833208 IF Annotated Anodyne Cc1cccc(C)c1OCCN[C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653833233 IF Annotated Anodyne Cc1cccc(C)c1OCCN[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653833234 IF Annotated Anodyne COc1cc(F)ccc1OCCN[C@@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000653833261 IF Annotated Anodyne COc1ccccc1OCCN[C@@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000653833263 IF Annotated Anodyne COc1ccccc1OCCN[C@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000653833264 IF Annotated Anodyne O=C(O)C(=O)Nc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1 ZINC000653833266 IF Annotated Anodyne O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@H](F)C1 ZINC000653841675 IF Annotated Anodyne Cc1noc(C)c1-c1cc(N2CCN(C)CC2)nc2c1ccn2S(=O)(=O)CC(C)C ZINC000653842867 IF Annotated Anodyne O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@@H](F)C1 ZINC000653842876 IF Annotated Anodyne CC(C)C[C@H](N)C(=O)NCCCCS(=O)(=O)Oc1ccc(Cl)c2cccnc12 ZINC000653845338 IF Annotated Anodyne CC(C)(O)CC(=O)N1C[C@H]2CN(c3cccc4c3cnn4-c3ccccc3F)C(=O)[C@H]2C1 ZINC000653845408 IF Annotated Anodyne CC(C)(O)CC(=O)N1CC[C@H]2CN(c3cccc4c3cnn4-c3ccccc3F)C(=O)[C@H]21 ZINC000653845421 IF Annotated Anodyne O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3)CC2 ZINC000653846199 IF Annotated Anodyne CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12 ZINC000653846533 IF Annotated Anodyne CN1c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc2CS1(=O)=O ZINC000653846587 IF Annotated Anodyne CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O ZINC000653846601 IF Annotated Anodyne CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(O)cc3)cc(N3CCN(C)CC3)nc21 ZINC000653848804 IF Annotated Anodyne Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)NC(=O)NC4=O)cc2)cn1 ZINC000653850703 IF Annotated Anodyne COc1ccc(CN2CN(CC(=O)O)c3ccc(Br)cc3S2(=O)=O)cc1 ZINC000653850966 IF Annotated Anodyne COc1cc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)n2N)cc(OC)c1OC ZINC000653857523 IF Annotated Anodyne C/C(=N\NC(=O)/C(C#N)=C/N(C)C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000653861904 IF Annotated Reactive COP(=O)(Nc1ccc(-c2cc3ccc(OS(N)(=O)=O)cc3oc2=O)cc1)OC ZINC000653876716 IF Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1cc(C(C)(C)C)on1 ZINC000653882871 IF Annotated Anodyne CC(C)[C@@H](CN1CCC(C)(c2ccncc2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000653884758 IF Annotated Anodyne CC(C)n1cc(C(=O)C2CCN(C(=O)CCCc3nc(O)c4ccn(C)c4n3)CC2)cn1 ZINC000653888024 IF Annotated Anodyne CCOc1cccc(/C=N/c2cccc(B3OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O3)c2)c1O ZINC000653888051 IF Annotated Mild CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(O)ncnc34)c(Cl)c2)CC1 ZINC000653901702 IF Annotated Anodyne COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4cc(F)cc4c(=O)[nH]3)CC2)cn1 ZINC000653905794 IF Annotated Anodyne CN(Cc1cc([C@@H](CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(C)(=O)=O ZINC000653915675 IF Annotated Anodyne Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@H]4CC[C@H]3CN4C(=O)c3cccnc3)nc21 ZINC000653916045 IF Annotated Anodyne C[C@@H](O)[C@H](C(=O)NO)N1Cc2cc(-c3ccc(C#Cc4ccccc4)cc3)ccc2C1=O ZINC000066066210 IF Annotated Mild C[C@@H](O)[C@H](C(=O)NO)N1Cc2cc(C#Cc3ccc(-c4ccccc4)cc3)ccc2C1=O ZINC000066066211 IF Annotated Mild CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066066466 IF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066066467 IF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066066468 IF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066066469 IF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066066470 IF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066066471 IF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066066472 IF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066066473 IF Annotated Anodyne C[C@@H](O)[C@H](C(=O)NO)N1Cc2cc(C#Cc3cccc(-c4ccccc4)c3)ccc2C1=O ZINC000066066566 IF Annotated Mild Cc1noc(C)c1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O ZINC000066074766 IF Annotated Anodyne Cc1csc2c1c(CC(=O)O)c(C)n2S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000066078134 IF Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCN(Cc4ccccc4)C3)cc1-2 ZINC000066079778 IF Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCN(Cc4ccccc4)C3)cc1-2 ZINC000066079779 IF Annotated Anodyne CCN(CC)CCN/C(=N\C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066079794 IF Annotated Mild CC(C)N1C(=O)C(=O)N=C1/N=C(\NCCN1CCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000066079796 IF Annotated Mild Cc1c(CC(=O)O)c2ccsc2n1Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000066097601 IF Annotated Anodyne CO[C@H]1[C@@H](C(=O)c2cnc3sc(C(=O)c4ccc(F)cc4)cn23)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066099710 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H](C(=O)N(CC(=O)NO)CC1CCCC1)C(C)(C)C ZINC000066101614 IF Annotated Bother CO[C@H]1[C@@H](C(=O)c2cn3cc(C(=O)c4ccccc4)nc3s2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066102346 IF Annotated Anodyne CO[C@H]1[C@@H](C(=O)c2cn3cc(C(=O)c4ccc(F)cc4)nc3s2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066103896 IF Annotated Anodyne CO[C@H]1[C@@H](C(=O)c2cnc3sc(C(=O)c4ccccc4)cn23)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066112482 IF Annotated Anodyne Cc1cn2c(=O)c3c(nc2n1N)NC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccc([N+](=O)[O-])cc1 ZINC000066156527 IF Annotated Mild Cc1cn2c(=O)c3c(nc2n1N)NC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccc([N+](=O)[O-])cc1 ZINC000066156531 IF Annotated Mild CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OCCC)O[C@H]2[C@@]1(C)F ZINC000066259666 IF Annotated Anodyne CCCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OCC)O[C@H]2[C@@]1(C)F ZINC000066259667 IF Annotated Anodyne COCCOc1cnc2ccc(Cn3nnc4ccn(-c5cc(C)ns5)c(=O)c43)cc2c1 ZINC000068152020 IF Annotated Anodyne Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5C4)CC3)CC2)ccn1 ZINC000068200741 IF Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc(=O)[nH]c5)[nH]c4C)ccc3[nH]2)n1 ZINC000068205677 IF Annotated Anodyne CCOC(=O)CCNC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2 ZINC000068245412 IF Annotated Anodyne Cc1cccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1N1CCOCC1 ZINC000068247217 IF Annotated Anodyne CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1C#N ZINC000068247802 IF Annotated Anodyne C/C(=N\NC(=O)c1ccncc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 ZINC000068248437 IF Annotated Reactive O=C(CN1CCCCC1)N1CCc2[nH]c(-c3cc4cc(Cl)ccc4[nH]c3=O)nc2C1 ZINC000068267327 IF Annotated Anodyne CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCOC)ccc23)c1 ZINC000068267690 IF Annotated Anodyne C=CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCN3CCOCC3)nc2s1 ZINC000069063501 IF Annotated Mild CC(C)C1=C2[C@H]3CC=C(C=O)[C@H]4O[C@H]5[C@@H](OC[C@@H](O)[C@@H]5O)O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1 ZINC000070454041 IF Annotated Reactive in-vitro biogenic Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)nc3)c3ccccc23)no1 ZINC000070461160 IF Annotated Anodyne O=C1Nc2ccccc2/C1=C1/SC(=S)N([C@@H](Cc2ccc(O)cc2)C(=O)O)C1=O ZINC000070462956 IF Annotated Clean O=C1Nc2ccccc2/C1=C1/SC(=S)N([C@H](Cc2ccc(O)cc2)C(=O)O)C1=O ZINC000070462957 IF Annotated Clean COc1ccc(S(=O)(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1 ZINC000071280579 IF Annotated Anodyne CCNC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071281331 IF Annotated Bother COc1ccc2nc(C)cc(-n3cc(CNS(=O)(=O)c4ccc(F)cc4)nn3)c2c1 ZINC000071294319 IF Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccc(C5=NCCCN5)cc4)CC3)s2)o1 ZINC000071295578 IF Annotated Bother CC(=O)O[C@H](CN1CCN(c2ccccc2)CC1)CN1Cc2cc3ccccc3nc2C1=O ZINC000071296008 IF Annotated Anodyne C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1C[C@H]3O ZINC000071296237 IF Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@H]1C[C@H]3O ZINC000071296238 IF Annotated Mild O=C1Nc2ccc(Br)cc2/C1=N/N=C1\SCC(=O)N1c1ccc(O)cc1 ZINC000071296426 IF Annotated Mild CCc1c(C(=O)c2cc(C)cc(C)c2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O ZINC000071296828 IF Annotated Anodyne O=C(O)CN1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cc(Cl)cnc21 ZINC000071297113 IF Annotated Anodyne Cc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)c1cn[nH]c1N ZINC000071316092 IF Annotated Anodyne CCCc1cc2c(N)c(C(=O)N/N=C/c3cccn3C)sc2nc1NCCN(C)C ZINC000071316260 IF Annotated Reactive O=C([C@@H]1CN(CC(F)(F)F)CCO1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071316971 IF Annotated Anodyne O=C([C@H]1CN(CC(F)(F)F)CCO1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071316972 IF Annotated Anodyne CC(=O)/N=c1/[nH]c2ccc(CCNC(=O)Nc3cc(C)c(Cl)cc3OCCN)cc2[nH]1 ZINC000071317383 IF Annotated Anodyne O=C1c2ncc3c(c(CCCN4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071317465 IF Annotated Clean C=C1[C@H]2CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]3C2)[C@H]1O ZINC000071318248 IF Annotated Mild Cn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)c2cn[nH]c2N)c2ccccc21 ZINC000071318252 IF Annotated Anodyne C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1[C@@H](O)C3 ZINC000071318687 IF Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@H]1[C@@H](O)C3 ZINC000071318688 IF Annotated Mild CN(C)/C=C(\C#N)C(=O)Nc1nn(-c2ccccc2)nc1C(=O)c1cn(C)c2ccccc12 ZINC000071319410 IF Annotated Reactive COc1ccc(-c2c3c(nc4nc(O)[nH]c(=O)c24)-c2ccccc2C3=O)c(OC)c1OC ZINC000071329829 IF Annotated Clean CCCc1cc(NCCN(C)C)nc2sc(C(=O)N/N=C/c3cccn3C)c(N)c12 ZINC000071330488 IF Annotated Reactive O=C(NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1)Oc1ccccc1 ZINC000071335240 IF Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(CCN2CCCC2)cn1 ZINC000071342072 IF Annotated Anodyne CS(=O)(=O)N1CCC(CN[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101727 IF Annotated Anodyne CS(=O)(=O)N1CCC(CN[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101728 IF Annotated Anodyne O[C@@]1(c2ccc(I)cc2)C[n+]2cccnc2N1Cc1ccccc1 ZINC000072105117 IF Annotated Anodyne O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)c2ccc(Cl)cc2)O1 ZINC000072105453 IF Annotated Anodyne O=C(O)[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cccs2)=C1Cc1ccc2sccc2c1 ZINC000072106244 IF Annotated Anodyne O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072106622 IF Annotated Anodyne O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072106623 IF Annotated Anodyne O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)c2ccccc2Cl)O1 ZINC000072107310 IF Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2cccc(I)c2)cc1 ZINC000072108521 IF Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCCN2CC[C@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@]12CC3 ZINC000072108622 IF Annotated Anodyne O=c1[nH]c2cc(CNS(=O)(=O)c3ccccc3)ccc2n1-c1cc(Cl)c(O)cc1O ZINC000072108822 IF Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccccc2I)cc1 ZINC000072111238 IF Annotated Anodyne C1COCCOCCN(CCC23CC4CC(CC(C4)C2)C3)CCOCCOCCO1 ZINC000072112230 IF Annotated Anodyne O=C1NCc2[nH]c3c(ccc4cnc(-c5cncc(OCCN6CCOCC6)c5)cc43)c21 ZINC000072112356 IF Annotated Anodyne C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2CCN(C)CC2)cc1 ZINC000072116220 IF Annotated Anodyne Cc1cc(C)n(N/C=C(\Nn2c(C)cc(C)c(C#N)c2=O)c2ccccc2)c(=O)c1C#N ZINC000072118694 IF Annotated Mild CN(C)CCOC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072119630 IF Annotated Clean Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(N2CCNCC2)cc1 ZINC000072122930 IF Annotated Clean CC(C)[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 ZINC000072123396 IF Annotated Anodyne COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)cc2c1 ZINC000072124311 IF Annotated Reactive COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)cc2c1 ZINC000072124312 IF Annotated Reactive COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000072124484 IF Annotated Reactive COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000072124485 IF Annotated Reactive CC(C)[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 ZINC000072124605 IF Annotated Anodyne COc1nc(=O)n(C)c(CC(O)(COCc2ccccc2)COCc2ccccc2)c1C ZINC000072127902 IF Annotated Anodyne S=C(NCCc1ccccc1)N1Cc2cc(N3CCOCC3)ccc2-n2nncc2C1 ZINC000072138631 IF Annotated Clean Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)cc2c1 ZINC000072141184 IF Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)cc2c1 ZINC000072141185 IF Annotated Reactive O=[N+]([O-])c1ccc(CN2[C@H](COCc3ccccc3)[C@@H](N3CCCC3)CS2(=O)=O)cc1 ZINC000072141322 IF Annotated Bother CCS(=O)(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072141452 IF Annotated Anodyne CCS(=O)(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072141453 IF Annotated Anodyne CCCS(=O)(=O)Nc1ccc(OC)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F ZINC000072142835 IF Annotated Anodyne COc1cc2[nH]c([S@](=O)Cc3nccc(OC)c3OC)nc2cc1NC(=O)C1CC1 ZINC000072170741 IF Annotated Anodyne COc1cc2[nH]c([S@@](=O)Cc3nccc(OC)c3OC)nc2cc1NC(=O)C1CC1 ZINC000072170742 IF Annotated Anodyne CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3c2CCCC3)nnc1SCC#N ZINC000072175541 IF Annotated Reactive CSCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 ZINC000072177710 IF Annotated Anodyne COC(=O)c1nnn([C@@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2/C=C/c2ccccc2)c1C(=O)OC ZINC000072177825 IF Annotated Anodyne COC(=O)c1nnn([C@@H]2C(=O)N(C3CCCCC3)[C@@H]2/C=C/c2ccccc2)c1C(=O)OC ZINC000072177911 IF Annotated Anodyne COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccco4)c3F)cc12 ZINC000072178641 IF Annotated Anodyne CCNC(=O)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072178896 IF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](c1ccc(OC(F)(F)F)cc1)c1ncco1)C2 ZINC000072178898 IF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@H](c1ccc(OC(F)(F)F)cc1)c1ncco1)C2 ZINC000072178899 IF Annotated Bother CCCS(=O)(=O)Nc1cc(F)cc(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F ZINC000072178914 IF Annotated Anodyne CO[C@@]12Oc3cc(O)c(C)c([C@H](C)[C@@H](C)O)c3C=C1C(=O)C(C)=C1[C@H](C)[C@@H](C)O[C@]12O ZINC000072179606 IF Annotated Mild COC(=O)/C=C1/C(=O)NC(=S)N1/N=C/c1c[nH]nc1-c1cc(Cl)sc1Cl ZINC000072179639 IF Annotated Mild CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F ZINC000072179899 IF Annotated Anodyne C=CCc1nc(/C=C/C)c2ncn([C@@H]3O[C@@]4(CO)CO[C@@H]3[C@@H]4OCc3ccccc3)c2n1 ZINC000072180063 IF Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1OC ZINC000072181634 IF Annotated Anodyne Cn1cnc(-c2c(Br)csc2NC(=O)CN2C(=O)CCc3ncccc32)n1 ZINC000072181730 IF Annotated Anodyne COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CC4CC4)c3F)cc12 ZINC000072182195 IF Annotated Anodyne COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12 ZINC000072182346 IF Annotated Anodyne COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CC(C)C)c3F)cc12 ZINC000072182347 IF Annotated Anodyne COC(=O)C1CCN(/C(=N\O)c2cccnc2Oc2cccc(N3CCOCC3)c2)CC1 ZINC000072182591 IF Annotated Mild COc1ccc([C@@H]2C=C(c3ccccc3)N=C3SC(S(N)(=O)=O)=NN32)cc1OC ZINC000072183988 IF Annotated Anodyne COc1ccc([C@H]2C=C(c3ccccc3)N=C3SC(S(N)(=O)=O)=NN32)cc1OC ZINC000072183989 IF Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2n1C ZINC000072322768 IF Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000073048442 IF Annotated Mild C/C(CCN1CCCCc2nc(C)c(C)cc21)=N/O[C@@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000073101050 IF Annotated Mild COc1cccc(S(=O)(=O)N2CCO[C@@]23CCN(C(=O)Nc2ccccc2)C[C@@H]3F)c1 ZINC000073138655 IF Annotated Anodyne COc1cccc(S(=O)(=O)N2CCO[C@]23CCN(C(=O)Nc2ccccc2)C[C@@H]3F)c1 ZINC000073138659 IF Annotated Anodyne COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc3ccccc3n2c1/C=N/N=C(N)N ZINC000073138751 IF Annotated Mild O=C(OCc1cc(F)cc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O ZINC000073138816 IF Annotated Anodyne C[C@H]1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)C[C@@H](C)O1 ZINC000073140721 IF Annotated Anodyne C[C@H]1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)C[C@H](C)O1 ZINC000073140724 IF Annotated Anodyne C[C@@H]1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)C[C@@H](C)O1 ZINC000073140726 IF Annotated Anodyne Cc1nn2c(SCC(=O)NC3C4CC5CC(C4)CC3C5)nc3ccccc3c2nc1=O ZINC000073142414 IF Annotated Bother NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCCOC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073158066 IF Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073158069 IF Annotated Anodyne CC1(C)CO[C@@H]1CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073158786 IF Annotated Anodyne CC1(C)CO[C@H]1CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073158789 IF Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073163404 IF Annotated Anodyne C[C@H]1C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000073166524 IF Annotated Anodyne C[C@@H]1C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000073166527 IF Annotated Anodyne O=C1[C@H](NS(=O)(=O)c2ccc(N3CCC(c4ccccc4)CC3)cc2)CC=CCN1O ZINC000073166898 IF Annotated Anodyne Cc1nc2c(cnn2S(=O)(=O)c2ccc(Cl)cc2)c(=O)n1/N=C/c1ccccc1 ZINC000073168809 IF Annotated Mild O=C(/N=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 ZINC000073169420 IF Annotated Mild Cn1nnnc1/N=C(\O)N1CCC2(CC1)C[C@H](c1cccc(OC(F)(F)F)c1)CO2 ZINC000073169449 IF Annotated Mild Cn1nnnc1/N=C(\O)N1CCC2(CC1)C[C@@H](c1cccc(OC(F)(F)F)c1)CO2 ZINC000073169451 IF Annotated Mild O=C(/N=C/c1ccccc1Cl)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 ZINC000073170127 IF Annotated Mild O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000073195618 IF Annotated Reactive C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@]2(CO2)[C@@H](OC(C)=O)C[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000073195644 IF Annotated Mild in-vitro NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCOC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073196425 IF Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073196426 IF Annotated Anodyne CO[C@]1(C)O[C@H]2[C@@H](OC/C=C/c3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073196810 IF Annotated Mild COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(c(OC)c32)OCO4)cc(OC)c1OC ZINC000073196839 IF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(c(OC)c32)OCO4)cc(OC)c1OC ZINC000073196840 IF Annotated Anodyne COc1cc(-n2nncc2-c2ccc(OC)c([N+](=O)[O-])c2[N+](=O)[O-])cc(OC)c1OC ZINC000073197179 IF Annotated Bother O=C(NCc1ccccc1)OC[C@H](O)Cn1cc(CN2CCC(c3ccccc3)CC2)nn1 ZINC000073198554 IF Annotated Anodyne O=C(NCc1ccccc1)OC[C@@H](O)Cn1cc(CN2CCC(c3ccccc3)CC2)nn1 ZINC000073198555 IF Annotated Anodyne O=C(Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073199220 IF Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(N(C)C)c3c2)c1F ZINC000073200140 IF Annotated Anodyne CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 ZINC000073221640 IF Annotated Anodyne COC(=O)[C@@H]1CCCN1CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073224526 IF Annotated Anodyne O=C(Nc1cc(-c2cc3c([nH]2)[C@@]2(CCCNC2)CNC3=O)ccn1)c1cc(F)cc(F)c1 ZINC000073240283 IF Annotated Anodyne O=C(Nc1cc(-c2cc3c([nH]2)[C@]2(CCCNC2)CNC3=O)ccn1)c1cc(F)cc(F)c1 ZINC000073240285 IF Annotated Anodyne COCCOCCOc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OC)n1 ZINC000073274030 IF Annotated Mild COC(=O)C1(C(=O)OC)C[C@H]2c3c(c4ccccc4n3C)C[C@@H](C1=O)N2Cc1ccccc1 ZINC000073277158 IF Annotated Anodyne O=[N+]([O-])c1ccc(Cn2cc(CNc3nnc(-c4ccc([N+](=O)[O-])o4)s3)nn2)cc1 ZINC000073292400 IF Annotated Bother COc1cc(OC)c(S(=O)(=O)NCc2ccccc2Br)cc1NC(C)=O ZINC000073293832 IF Annotated Anodyne Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4ccc(C(=O)O)cc4)c3)cc21 ZINC000073294152 IF Annotated Anodyne Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4ccccc4C(=O)O)c3)cc21 ZINC000073294154 IF Annotated Anodyne C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(C)=O)[C@@H]24)[C@@H](C)CO[C@@]3(C)[C@H](OC(C)=O)C[C@H]1O ZINC000073297602 IF Annotated Mild CC(=O)c1c(O)c(C(C)=O)c(O)c(C(C)c2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c1O ZINC000073311631 IF Annotated Anodyne CC(C)NC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 ZINC000073407519 IF Annotated Bother CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H]1C ZINC000007998154 IF Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000007998373 IF Annotated Mild COCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCC1 ZINC000008017390 IF Annotated Anodyne CO[C@H]1OC[C@@]2(C)[C@@H]3C4=C(CN2C(=O)OC(C)(C)C)[C@H](C)[C@H](CO)[C@H](CO)[C@H]4CC[C@H]13 ZINC000008021671 IF Annotated Anodyne COC[C@@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@H]2CCC(=O)[C@]2(C)C[C@@H]1OC(C)=O ZINC000008035078 IF Annotated Mild Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C\[C@@H](C)COC(=O)C/C=C\[C@@H]2C)cc1 ZINC000008035541 IF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000008035584 IF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000008035588 IF Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000008035668 IF Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\O[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1)OC ZINC000008035767 IF Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@H]12 ZINC000008035885 IF Annotated Mild O=C1[C@H]2CC[C@@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1C1CCCCC1 ZINC000008035962 IF Annotated Mild O=C1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)CS1 ZINC000008036070 IF Annotated Anodyne CCOC(=O)C1=NN[C@]2(c3ccc(Cl)cc3)C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]12 ZINC000008451611 IF Annotated Anodyne CCOC(=O)C1=NN[C@@]2(c3ccc(Cl)cc3)C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]12 ZINC000008451613 IF Annotated Anodyne CCOC(=O)C1=NN[C@]2(c3ccc(Cl)cc3)C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]12 ZINC000008451615 IF Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCN(C(=O)c6ccoc6)CC5)[C@H]4C[C@]13O2 ZINC000082051746 IF Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C#N)[C@H]3CC[C@@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000082056181 IF Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(C)CCO)n2)cc1 ZINC000082066483 IF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCOCCN(C)C)C3)co2)cc1 ZINC000082069600 IF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCOCCN(C)C)C3)co2)cc1 ZINC000082069601 IF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCOCCN(C)C)C2)co1 ZINC000082069624 IF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCOCCN(C)C)C2)co1 ZINC000082069625 IF Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc3)co2)cc1 ZINC000082069732 IF Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc3)co2)cc1 ZINC000082069733 IF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)co1 ZINC000082069744 IF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)co1 ZINC000082069745 IF Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCN ZINC000082070719 IF Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCN ZINC000082070720 IF Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCCC2=CCCCC2)cs1 ZINC000082071025 IF Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCCC2=CCCCC2)cs1 ZINC000082071026 IF Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2)n1 ZINC000082071179 IF Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2)n1 ZINC000082071180 IF Annotated Mild CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071209 IF Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071210 IF Annotated Mild CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071233 IF Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071234 IF Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCCO)cs1 ZINC000082072008 IF Annotated Anodyne NCCOC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072184 IF Annotated Anodyne CN(CC(=O)OCCN)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073948 IF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)N3CCCNCC3)C2)cs1 ZINC000082075888 IF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N3CCCNCC3)C2)cs1 ZINC000082075890 IF Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081490 IF Annotated Bother CN(C)CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081491 IF Annotated Bother CN(C)CCCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000082081516 IF Annotated Anodyne CN(C)CCCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000082081517 IF Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081592 IF Annotated Bother CN(C)CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081593 IF Annotated Bother O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 ZINC000082081716 IF Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 ZINC000082081717 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCc3ccc(C(=O)OCCN)cc3)cs2)c1 ZINC000082081820 IF Annotated Anodyne NCCOC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000082081853 IF Annotated Bother CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCc1ccccc1N ZINC000082081961 IF Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCc1ccccc1N ZINC000082081964 IF Annotated Anodyne COc1cc(-c2nc3ccc(NS(=O)(=O)c4ccoc4)cn3n2)cc(OC)c1OC ZINC000082081973 IF Annotated Anodyne COc1cc(-c2nc3ccc(NS(=O)(=O)c4ccco4)cn3n2)cc(OC)c1OC ZINC000082082018 IF Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCC(C)(C)N(C)C ZINC000082082516 IF Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCC(C)(C)N(C)C ZINC000082082517 IF Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCCCN(C)C ZINC000082082518 IF Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCCCN(C)C ZINC000082082519 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)OCCN(C)C)C(C)C)cs2)c1 ZINC000082082593 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)cs2)c1 ZINC000082082595 IF Annotated Anodyne CNc1nc2cnc(Nc3ccc(C(N)=O)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082896 IF Annotated Anodyne COc1ccc(CNc2nc3cnc(Nc4ccc(C(N)=O)cc4)cc3n2C)cc1OC ZINC000082083294 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)NCCCN3CCCC3)cs2)c1 ZINC000082083349 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)NCCCN3CCCC3)cs2)c1 ZINC000082083352 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)OCC(C)(C)N(C)C)cs2)c1 ZINC000082083842 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)OCC(C)(C)N(C)C)cs2)c1 ZINC000082083844 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCCCN(C)C)cs2)c1 ZINC000082083846 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)OCCCCN(C)C)cs2)c1 ZINC000082083847 IF Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082083969 IF Annotated Bother CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082083971 IF Annotated Bother COC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084367 IF Annotated Anodyne COC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084368 IF Annotated Anodyne COC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084437 IF Annotated Anodyne COC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084438 IF Annotated Anodyne NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084600 IF Annotated Anodyne NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084601 IF Annotated Anodyne CCCCOCCCNC(=O)CNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082084784 IF Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085140 IF Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085141 IF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085142 IF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085143 IF Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085230 IF Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085231 IF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085232 IF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085233 IF Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085444 IF Annotated Bother CN1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085445 IF Annotated Bother CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085458 IF Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085459 IF Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085462 IF Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085463 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCN(C)C)cs2)c1 ZINC000082085500 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCN(C)C)cs2)c1 ZINC000082085501 IF Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085555 IF Annotated Bother CN1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085556 IF Annotated Bother CN(CC(=O)NCc1ccccc1N)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085608 IF Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)NCc3ccccc3N)cs2)c1 ZINC000082085644 IF Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085772 IF Annotated Bother CN(CC(=O)OCCc1ccccn1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085776 IF Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)OCC(C)(C)N(C)C)cs2)c1 ZINC000082085805 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)OCCCCN(C)C)cs2)c1 ZINC000082085806 IF Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085831 IF Annotated Bother CN(CC(=O)OCCc1ccccn1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085836 IF Annotated Bother CN(C)CCOCCOC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085838 IF Annotated Anodyne CN(C)CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086158 IF Annotated Anodyne CN(C)CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086159 IF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)OCCc3ccccn3)cs2)c1 ZINC000082087311 IF Annotated Anodyne COCC(=O)NCCCCNc1nc(NCc2ccco2)c2cc(OC)c(OC)cc2n1 ZINC000082118521 IF Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 ZINC000082119471 IF Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134872 IF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134873 IF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134876 IF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134878 IF Annotated Bother COCCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135029 IF Annotated Mild CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135782 IF Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135783 IF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135810 IF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135811 IF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135812 IF Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCCOC)nc1-c1ccc(F)cc1 ZINC000082140264 IF Annotated Anodyne CC1CCN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)CC1 ZINC000082140845 IF Annotated Anodyne CC1CCN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)CC1 ZINC000082140848 IF Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144391 IF Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144393 IF Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149825 IF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149827 IF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149830 IF Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150010 IF Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150014 IF Annotated Bother Cc1ccc(Br)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12 ZINC000082150252 IF Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCCOC)nc1-c1ccccc1F ZINC000082152055 IF Annotated Anodyne CSC(=S)NNC(=O)COc1cccc2c(=O)n(-c3ccccc3C)c(C)nc12 ZINC000082158190 IF Annotated Reactive CCOCCN(CCOCC)C(=O)c1cnc(NCCOC)nc1-c1ccc(C#N)cc1 ZINC000082158617 IF Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082159986 IF Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082159987 IF Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082159988 IF Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082159989 IF Annotated Mild CC1CCN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)CC1 ZINC000082160022 IF Annotated Anodyne CC1CCN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)CC1 ZINC000082160023 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)NC)CC(C)(C)O2 ZINC000082171860 IF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)NC)CC(C)(C)O2 ZINC000082171861 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)NC)CC(C)(C)O2 ZINC000082171862 IF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)NC)CC(C)(C)O2 ZINC000082171864 IF Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082171865 IF Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082171866 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082172653 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082172656 IF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082172659 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000082172693 IF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000082172694 IF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000082172696 IF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000082172699 IF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCc1ccccc1F)c1cc(C(N)=O)ccc1O2 ZINC000082189776 IF Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2CCCO)C(N)=O ZINC000082191165 IF Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2C1CCCC1 ZINC000082191368 IF Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082192045 IF Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082192050 IF Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082192053 IF Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082192058 IF Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000082193473 IF Annotated Bother COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000082193477 IF Annotated Bother CCOC(=O)N1CCC(NC(=O)CNc2nc(-c3cc(OC)ccc3OC)cs2)CC1 ZINC000082193720 IF Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195551 IF Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccco3)nn4C)C2)cc1OC ZINC000082195996 IF Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccco1)C3 ZINC000082196003 IF Annotated Anodyne COc1cc(OC)cc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccco3)nn4C)C2)c1 ZINC000082196057 IF Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CCCC1)C3 ZINC000082196073 IF Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(C#N)cc1)CC3 ZINC000082196110 IF Annotated Mild Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(C#N)c1)CC3 ZINC000082196112 IF Annotated Mild COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)CC(C)C)C3 ZINC000082196203 IF Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196209 IF Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CCC1)C3 ZINC000082196254 IF Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C(C)(C)C)C3 ZINC000082196256 IF Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C=C(C)C)C3 ZINC000082196258 IF Annotated Anodyne CCOC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196295 IF Annotated Anodyne C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196335 IF Annotated Mild COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000082197286 IF Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000082197288 IF Annotated Mild COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000082197289 IF Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000082197290 IF Annotated Mild O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197795 IF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197796 IF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197797 IF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197798 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2SC)C1 ZINC000082198224 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2SC)C1 ZINC000082198225 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2SC)C1 ZINC000082198226 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2SC)C1 ZINC000082198227 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000082198232 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000082198233 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000082198234 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000082198235 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198336 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198337 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198338 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198339 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198944 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198945 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198946 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198947 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199182 IF Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199183 IF Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199184 IF Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199185 IF Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199206 IF Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199207 IF Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199208 IF Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199209 IF Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccco2)C1 ZINC000082199398 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccco2)C1 ZINC000082199399 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccco2)C1 ZINC000082199400 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccco2)C1 ZINC000082199401 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cnccn2)C1 ZINC000082199496 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cnccn2)C1 ZINC000082199497 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cnccn2)C1 ZINC000082199498 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cnccn2)C1 ZINC000082199499 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082199901 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082199904 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082199906 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082200219 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082200221 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082200223 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082200225 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2SC)C1 ZINC000082200608 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2SC)C1 ZINC000082200611 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2SC)C1 ZINC000082200613 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2SC)C1 ZINC000082200615 IF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204466 IF Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)CCN3)c1 ZINC000082204581 IF Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 ZINC000082204760 IF Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204771 IF Annotated Anodyne C=CCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204887 IF Annotated Mild COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204996 IF Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 ZINC000082205075 IF Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205186 IF Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205192 IF Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205248 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 ZINC000082205335 IF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205377 IF Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205519 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2)C1CC1 ZINC000082205645 IF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205647 IF Annotated Mild COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205715 IF Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H]2CCCC[C@H]2N3)c1 ZINC000082205755 IF Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H]2CCCC[C@H]2N3)c1 ZINC000082205875 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccncc1 ZINC000082206067 IF Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206389 IF Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206391 IF Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082206440 IF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206784 IF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206786 IF Annotated Anodyne C[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207102 IF Annotated Anodyne C[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207104 IF Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208012 IF Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208018 IF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](CC)N2 ZINC000082208092 IF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC)N2 ZINC000082208095 IF Annotated Anodyne C=CCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208453 IF Annotated Mild C=CCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208454 IF Annotated Mild COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209006 IF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209008 IF Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082209038 IF Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082209042 IF Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082209050 IF Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082209052 IF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)c1 ZINC000082209619 IF Annotated Mild COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)c1 ZINC000082209624 IF Annotated Mild COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209626 IF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209630 IF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209633 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 ZINC000082209960 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 ZINC000082209963 IF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082209969 IF Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082209972 IF Annotated Mild COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082209977 IF Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082209984 IF Annotated Mild O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2)c1ccncc1 ZINC000082209986 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccncc1 ZINC000082209988 IF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCc3scnc3C)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210100 IF Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CCc3scnc3C)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210102 IF Annotated Mild O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210163 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210165 IF Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082210182 IF Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082210187 IF Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082210191 IF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210192 IF Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082210193 IF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210194 IF Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210405 IF Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210411 IF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO ZINC000082210538 IF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO ZINC000082210541 IF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO ZINC000082210543 IF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO ZINC000082210548 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2)c1ccccc1 ZINC000082210565 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccccc1 ZINC000082210567 IF Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@H](C)CN3)c1 ZINC000082210910 IF Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@@H](C)CN3)c1 ZINC000082210914 IF Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](C)CN3)cc1 ZINC000082210993 IF Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082210995 IF Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@H](C)CN3)cc1 ZINC000082211452 IF Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211454 IF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](C)CN3)cc1 ZINC000082211766 IF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211769 IF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](C)CN3)cc1 ZINC000082211819 IF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211821 IF Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212119 IF Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212122 IF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@H](C)CN3)cc1 ZINC000082212266 IF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082212268 IF Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccncc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212323 IF Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccncc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212325 IF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](C)CN2 ZINC000082212596 IF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](C)CN2 ZINC000082212599 IF Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212615 IF Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212618 IF Annotated Anodyne COc1ccc(OC)c(CCNc2nc(N3CCN(c4ncccn4)CC3)ncc2C)c1 ZINC000082212960 IF Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cnccn3)C2)cc1 ZINC000082213454 IF Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cnccn3)C2)cc1 ZINC000082213455 IF Annotated Mild CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cnccn3)C2)cc1 ZINC000082213456 IF Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cnccn3)C2)cc1 ZINC000082213457 IF Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000082213779 IF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000082213780 IF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000082213781 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082213929 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082213930 IF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082213931 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)c1 ZINC000082214435 IF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)c1 ZINC000082214436 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)c1 ZINC000082214437 IF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)c1 ZINC000082214438 IF 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]1O ZINC000082214509 IF 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]1O ZINC000082214510 IF 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]1O ZINC000082214511 IF 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]1O ZINC000082214512 IF Annotated Anodyne COCCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082216883 IF Annotated Mild CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082218720 IF Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082218723 IF Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082218726 IF Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082218728 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082219318 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082219319 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082219321 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082219323 IF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082219476 IF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082219477 IF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082219479 IF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082219482 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3ccco3)C2)c1 ZINC000082220879 IF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3ccco3)C2)c1 ZINC000082220880 IF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3ccco3)C2)c1 ZINC000082220881 IF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3ccco3)C2)c1 ZINC000082220883 IF Annotated Anodyne C=CCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224348 IF Annotated Mild C=CCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224349 IF Annotated Mild CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224406 IF Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224408 IF Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@H](C)CN3)cc1 ZINC000082224474 IF Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@@H](C)CN3)cc1 ZINC000082224476 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 ZINC000082224493 IF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 ZINC000082224495 IF Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCN(c4c(C)cccc4C)CC3)ccc2[nH]c1=O ZINC000082231310 IF Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc2[nH]c1=O ZINC000082231419 IF Annotated Anodyne CCOC(=O)CCc1nc2nc(N(C)CCc3ccc(OC)c(OC)c3)ccc2[nH]c1=O ZINC000082231680 IF Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1)c1ccncc1 ZINC000084403449 IF Annotated Anodyne CCOCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N(CCOCC)CCOCC ZINC000084462331 IF Annotated Anodyne CCOCC[C@H](C(=O)Oc1c(OC)cccc1OC)N(CCOCC)CCOCC ZINC000084462332 IF Annotated Anodyne Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3nccs3)ncnc12 ZINC000084587068 IF Annotated Anodyne O[C@](Cc1cn(Cc2ccc(F)c(F)c2)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084596612 IF Annotated Anodyne O[C@@](Cc1cn(Cc2ccc(F)c(F)c2)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084596613 IF Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NCCCC[C@H](N)C(=O)O)c2ncccc2c1 ZINC000084602741 IF Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NCCCC[C@H](N)C(=O)O)c2ncccc2c1 ZINC000084602743 IF Annotated Anodyne CN(O)C(=O)CCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000084604610 IF Annotated Anodyne NCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)CC4)ccn3)s2)c1 ZINC000084615440 IF Annotated Anodyne COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N4CCOCC4)s3)ncn1CC2 ZINC000084617274 IF Annotated Anodyne O[C@](Cc1cn(Cc2ccccc2Cl)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084617284 IF Annotated Anodyne O[C@@](Cc1cn(Cc2ccccc2Cl)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084617286 IF Annotated Anodyne O[C@](Cc1cn(Cc2cccc(Cl)c2)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084617289 IF Annotated Anodyne O[C@@](Cc1cn(Cc2cccc(Cl)c2)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084617291 IF Annotated Anodyne O[C@](Cc1cn(Cc2ccc(Cl)cc2)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084617293 IF Annotated Anodyne O[C@@](Cc1cn(Cc2ccc(Cl)cc2)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084617295 IF Annotated Anodyne CCNc1nnc(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)s1 ZINC000084617689 IF Annotated Bother CCn1c(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)n[nH]c1=S ZINC000084636121 IF Annotated Bother CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccoc4)[nH]c23)cc1 ZINC000084651899 IF Annotated Anodyne CC1(C)C[C@H](NC(=O)C2=NS(=O)(=O)c3ccccc3N2)c2cc([N+](=O)[O-])ccc2O1 ZINC000084651995 IF Annotated Bother CC1(C)C[C@@H](NC(=O)C2=NS(=O)(=O)c3ccccc3N2)c2cc([N+](=O)[O-])ccc2O1 ZINC000084651996 IF Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OCC)nn3c2)c1F ZINC000084652622 IF Annotated Anodyne COc1cc(C2=NO[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)C2)cc(OC)c1OC ZINC000084653083 IF Annotated Anodyne COc1cc(C2=NO[C@@H](C(=O)Nc3ccccc3C(=O)NC(C)C)C2)cc(OC)c1OC ZINC000084653084 IF Annotated Anodyne CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccoc4)[nH]c23)cc1 ZINC000084653720 IF Annotated Anodyne CN1CCN(C(=O)c2cc(Nc3ncc4cc(C#N)n(C5CCCC5)c4n3)cn2C)CC1 ZINC000084655102 IF Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2csc3c(N)ncnc23)c1F ZINC000084669114 IF Annotated Anodyne COc1cc(OC(C)=O)c2c(c1OC(C)=O)C(=O)c1cc(C)c(OC(C)=O)cc1C2=O ZINC000084671063 IF Annotated Clean O=C(c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F)N1CCN(c2ccncc2)CC1 ZINC000084688571 IF Annotated Anodyne O=C(c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F)N1CCN(c2cccnc2)CC1 ZINC000084688572 IF Annotated Anodyne O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)n1 ZINC000084688820 IF Annotated Bother O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000084689583 IF Annotated Bother COc1ccc(C(=O)C2CCN([C@@H]3CCN(C(=O)c4cccs4)C[C@H]3O)CC2)cc1 ZINC000084689682 IF Annotated Anodyne CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(N)=O)c3)cnc2[nH]1 ZINC000084690409 IF Annotated Anodyne CC1(C)C=Cc2c(ccc3c4c([nH]c23)C(C)(C)[C@@H]2C[C@]35CCCN3C(=O)[C@]2(NC5=O)[C@H]4O)O1 ZINC000084704680 IF Annotated Anodyne O=C(N/N=C/c1ccccc1)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084705985 IF Annotated Reactive O=C(N/N=C/c1ccccc1)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084705987 IF Annotated Reactive CC(C)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1cc(F)cc(-c2nnn[nH]2)c1 ZINC000084706957 IF Annotated Anodyne COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccccc2)C1=O ZINC000084707848 IF Annotated Anodyne O=C(N/N=C/c1ccccc1O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084710953 IF Annotated Reactive O=C(N/N=C/c1ccccc1O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084710954 IF Annotated Reactive Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@@H]1CC(C)(C)Oc3ccc([N+](=O)[O-])cc31)N2 ZINC000084710981 IF Annotated Bother Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@H]1CC(C)(C)Oc3ccc([N+](=O)[O-])cc31)N2 ZINC000084710983 IF Annotated Bother Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(OC(=O)C(Cl)Cl)CC1 ZINC000084724797 IF Annotated Reactive COc1cc(-c2nnc(SC)n2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000084726626 IF Annotated Anodyne CC(C)C(=O)O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(=O)C(C)C)[C@H]3C1)OCO5 ZINC000084731190 IF Annotated Anodyne C=CCNCCS(=O)(=O)c1cccc(Nc2ncc(-c3ccc(OC)nc3)cn2)c1 ZINC000084731368 IF Annotated Mild CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(CCCCCCO)nn1 ZINC000084741466 IF Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(CCCCCCO)nn1 ZINC000084741468 IF Annotated Anodyne CCOC(=O)/C(C#N)=N/Nc1n[nH]c(C)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084741502 IF Annotated Mild COc1cc(COC(C)=O)c(-c2c(COC(C)=O)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084741667 IF Annotated Anodyne Cc1c(Cn2c(CO)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F ZINC000084741847 IF Annotated Anodyne COc1cc2c(cc1O)[C@@H]1CCc3cc(OC)c(OC)c(OC)c3[C@H]2CN1S(C)(=O)=O ZINC000084756854 IF Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCCN2)sc1CCO ZINC000084757161 IF Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCCN2)sc1CCO ZINC000084757164 IF Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCCN2)sc1CCO ZINC000084757166 IF Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCCN2)sc1CCO ZINC000084757168 IF Annotated Anodyne COc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)NCCC4)C2)cn1 ZINC000084758150 IF Annotated Anodyne O[C@](CN1CCN(Cc2cccc(Cl)c2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084804838 IF Annotated Anodyne O[C@@](CN1CCN(Cc2cccc(Cl)c2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084804840 IF Annotated Anodyne CN1CCC(NCc2ccc(-c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)cc2)CC1 ZINC000084854163 IF Annotated Anodyne CN1CCC(NCc2ccc(-c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)cc2)CC1 ZINC000084854164 IF Annotated Anodyne COc1cc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)(C)C)c2cc1OC ZINC000008566316 IF Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000008582346 IF Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000008582363 IF Annotated Mild COc1ccc2cc(CN(CCO)C(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 ZINC000008582573 IF Annotated Anodyne COCCn1nnnc1CN(Cc1cc2cc(OC)c(OC)cc2nc1O)C1CCCC1 ZINC000008582639 IF Annotated Anodyne Cc1cc(C)c2cc(CN(CCO)Cc3nnnn3Cc3ccc(F)cc3)c(O)nc2c1 ZINC000008582668 IF Annotated Anodyne CC(=O)c1cccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000008582799 IF Annotated Anodyne CC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)c2cc(Cl)ccc2O1 ZINC000008583709 IF Annotated Anodyne CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)c2cc(Cl)ccc2O1 ZINC000008583710 IF Annotated Anodyne O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)Nc1cccc(C(F)(F)F)c1 ZINC000008588724 IF Annotated Anodyne Cc1ccc(CCNC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000008588769 IF Annotated Anodyne CCc1nn2c(=O)c(S(=O)(=O)Nc3ccc(Br)cc3F)c(C)nc2s1 ZINC000008594358 IF Annotated Anodyne COc1ccccc1NC(=O)C1CCN(C(=O)c2sc3nc[nH]c(=O)c3c2C)CC1 ZINC000008600225 IF Annotated Anodyne CCN(CC)c1nn2c(=O)c(C(=O)NCc3ccccc3Br)cnc2s1 ZINC000008604083 IF Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1 ZINC000008604790 IF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000008605377 IF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000008605378 IF Annotated Anodyne CC(C)CO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@@H]12 ZINC000008606213 IF Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@@H]12 ZINC000008606214 IF Annotated Mild CCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O ZINC000008606987 IF Annotated Anodyne C[C@H]1C[C@@H](C)C(=O)[C@@H]([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1 ZINC000008612703 IF Annotated Anodyne O=C1C(C2=N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000008666081 IF Annotated Mild CCOC(=O)CNC(=O)O[C@@H]1C(=O)c2cc(OC)ccc2O[C@H]1c1cccc(OC)c1 ZINC000008681971 IF Annotated Anodyne CCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008687088 IF Annotated Anodyne CCNc1nc(NCC)n2c(SCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)nnc2n1 ZINC000008692231 IF Annotated Clean CC(=O)O[C@@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000008740224 IF Annotated Anodyne COCCCn1c(=NC(=O)c2cccs2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000008767950 IF Annotated Anodyne COCCCn1c(Cc2csc(Nc3ccc(F)cc3)n2)nnc1SCC(N)=O ZINC000008772899 IF Annotated Anodyne CCOC(=O)c1c(NC(=O)c2c(Br)cnn2C)c(C#N)nn1-c1ccccc1 ZINC000008801918 IF Annotated Mild CC(C)NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc21 ZINC000008812818 IF Annotated Anodyne CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)s1 ZINC000008829354 IF Annotated Anodyne COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000008860690 IF Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000008860691 IF Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 ZINC000008860692 IF Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 ZINC000008860693 IF Annotated Mild O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NC[C@H]1COCCO1 ZINC000008912134 IF Annotated Anodyne CN(C)c1ccc(CNC(=O)c2ccc(CNc3c(N4CCCCC4)c(=O)c3=O)cc2)cc1 ZINC000008912324 IF Annotated Clean CCNC[C@@](O)(CCCCCCC[C@H](CC=O)C[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O ZINC000085488225 IF Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](CCCCCCCCC[C@](O)(CN[C@H](C)CCO)CC(=O)O)CC[C@H]1O ZINC000085488248 IF Annotated Anodyne in-vitro biogenic CCNC[C@@](O)(CCCCCC[C@H](CCCO)CC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O ZINC000085488272 IF Annotated Anodyne in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C=C(/CCCC[C@H](CCC(=O)O)NCC)C[C@H](O)CO ZINC000085490903 IF Annotated Anodyne in-vitro biogenic CC(C)C1=C2[C@H]3CC=C(CO)[C@H]4O[C@H]5[C@@H](OC[C@@H](O)[C@@H]5O)O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1 ZINC000085505156 IF Annotated Anodyne in-vitro biogenic CC[C@@]1(O)CC[C@H]2CC=C3O/C(=C4\OC(=O)C(CO)=C4OC)[C@@H](C)[C@@H]3[C@@H]3CCC[C@@H]1N23 ZINC000085532507 IF Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1[C@H]2CC[C@H]3CC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@H](CC2)N31 ZINC000085532535 IF Annotated Anodyne in-vitro biogenic CC1(C)CC[C@@H](O)[C@@]2(C)[C@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542349 IF Annotated Mild in-vitro biogenic CC1(C)OC(=O)C=C[C@]12CC[C@@]13C[C@@]4(C)C=C5C(=O)OC[C@]51[C@@](C)(C[C@H]3[C@@]2(C)O)C4=O ZINC000085544148 IF Annotated Anodyne C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@H]4[C@H](C)C5=CC(=O)OC(C)(C)C5=C[C@@H]5OC1=C([C@@]54C)[C@]23O ZINC000085552508 IF Annotated Anodyne CC1(C)OC(=O)C=C[C@]12CC[C@@]13C[C@@]4(C)C[C@H]5C(=O)OC[C@]51[C@@](C)(C[C@H]3[C@@]2(C)O)C4=O ZINC000085558296 IF Annotated Anodyne CC1(C)OC(=O)C=C[C@]12CC[C@@]13C[C@@]4(C)C[C@@H]5C(=O)OC[C@]51[C@@](C)(C[C@H]3[C@@]2(C)O)C4=O ZINC000085558299 IF Annotated Anodyne COC(=O)c1c(/C(O)=C(\O)c2cc3c(cc2CCN(C)C)OCO3)ccc2c1OCO2 ZINC000085565891 IF Annotated Anodyne CNCNc1cc(CC/C(C)=C/C[C@@]23O[C@]2(C(=O)OC)C(=O)c2ccccc2C3=O)ccn1 ZINC000085592719 IF Annotated Clean in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(C1CCNCC1)[C@H](OC(=O)[C@@]1(C)O[C@@H]1C)C3 ZINC000085594150 IF Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(C1CCNCC1)[C@H](OC(=O)[C@]1(C)O[C@@H]1C)C3 ZINC000085594152 IF Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCCO)O[C@@H]1C)C3 ZINC000085594173 IF Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCCO)O[C@@H]1C)C3 ZINC000085594174 IF Annotated Anodyne in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(cc4oc(CO)c(CCO)c(=O)c4c3OC3CCCC3)O[C@@H]21 ZINC000085594427 IF Annotated Anodyne in-vitro biogenic COc1c2c(cc3oc(CO)c(Cc4ccc(NO)cc4)c(=O)c13)O[C@H](C(C)(C)O)C2 ZINC000085594490 IF Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(CCCO)c3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595318 IF Annotated Anodyne in-vitro biogenic COc1cc(CC[C@@H](C[C@@H](O)CCc2cc(OC)c(O)c(OC)c2)OCO)ccc1O ZINC000085595734 IF Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)[C@H](CCO)[C@@H](c3cc(OC)c(O)c(OC)c3)O2)ccc1O ZINC000085596666 IF Annotated Anodyne in-vitro biogenic CNC(=N)Nc1cc(CC/C=C/C(=O)CCc2ccc(O)c(OC)c2)cc(OCO)c1O ZINC000085597096 IF Annotated Mild in-vitro biogenic CNC(=N)NC[C@@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)CC[C@H]1C ZINC000085628343 IF Annotated Anodyne in-vitro biogenic CNC(=N)N[C@H]1C=CCC[C@@H]1CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O ZINC000085628379 IF Annotated Anodyne in-vitro biogenic COC1=C(c2ccc(OC)c(OC)c2)O[C@H]2C(OC)=C(OC)C(OC)=C(OC)[C@H]2C1=O ZINC000085646350 IF Annotated Mild in-vitro biogenic O=C(c1cc2ccccc2oc1=O)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000085653966 IF Annotated Anodyne C=C(C)[C@H]1CC[C@]2(O)C(=O)O[C@H](C/C(C)=C/c3cc(C(=O)OC)c(o3)C1)[C@H]2OC(C)=O ZINC000085674227 IF Annotated Mild C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O ZINC000085723149 IF Annotated Mild in-man C=C([C@@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O ZINC000085723150 IF Annotated Mild in-man C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@H](OC(C)=O)[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O ZINC000085723151 IF Annotated Mild in-man C=C([C@H]1[C@H](OC(C)=O)[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O)[C@@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000085723152 IF Annotated Mild in-man CC(C)C1=C2[C@@H]3CC[C@H]4[C@@H](O)O[C@@H]5[C@H](O)CO[C@@H]6O[C@@H]([C@@H]4[C@]65O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085728305 IF Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC[C@H]4[C@@H](O)O[C@@H]5[C@H](O)CO[C@@H]6O[C@@H]([C@@H]4[C@]65O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085728308 IF Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC[C@@H]4[C@@H](O)O[C@@H]5[C@H](O)CO[C@@H]6O[C@@H]([C@@H]4[C@]65O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085728310 IF Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC[C@@H]4[C@@H](O)O[C@@H]5[C@H](O)CO[C@@H]6O[C@@H]([C@@H]4[C@]65O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085728312 IF Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC=C(CO)[C@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000085729684 IF Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C(CO)[C@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000085729688 IF Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC=C(CO)[C@@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000085729690 IF Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C(CO)[C@@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1 ZINC000085729697 IF Annotated Anodyne in-man CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085842658 IF Annotated Reactive in-man CC(C)C1=C2C3=CC=C(C=O)C[C@@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085842662 IF Annotated Reactive in-man CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@]3(C)CC[C@]2(C)CC1 ZINC000085842666 IF Annotated Reactive in-man CC(C)C1=C2C3=CC=C(C=O)C[C@@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@]3(C)CC[C@]2(C)CC1 ZINC000085842671 IF Annotated Reactive in-man COC(=O)N1c2cc(OC)c(OC)cc2[C@]23CCN4CC=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3 ZINC000085995714 IF Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)OC(C)=O)(C1)[C@H]23 ZINC000086052966 IF Annotated Anodyne CC(=O)OCc1c2c(c(O)c(=O)n1C(C)C)C(=O)N(Cc1ccc(F)c(Cl)c1)C2=O ZINC000087723501 IF Annotated Anodyne NS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000089456440 IF Annotated Anodyne O=C(O)CCNS(=O)(=O)c1ccc(C(=O)/C=C/c2c(C3CC3)nc3sccn23)cc1 ZINC000089781018 IF Annotated Mild CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C1 ZINC000009132853 IF Annotated Anodyne O=C(Cn1ccnc1)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000009132941 IF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cn1 ZINC000009153348 IF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cn1 ZINC000009153349 IF Annotated Anodyne CCOCCCn1c(=NC(=O)c2cccs2)c(C#N)cc2c(=O)n3ccccc3nc21 ZINC000009192482 IF Annotated Anodyne CCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 ZINC000009210025 IF Annotated Anodyne C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211088 IF Annotated Anodyne C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211089 IF Annotated Anodyne Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(C)nn3-c3ccccc3)=C2)cc1 ZINC000009289969 IF Annotated Anodyne CCc1nnc(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)s1 ZINC000009407275 IF Annotated Anodyne CCc1nnc(NC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)s1 ZINC000009407333 IF Annotated Anodyne CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)Nc3cccc(F)c3)cc2C[C@H]1C ZINC000009428896 IF Annotated Anodyne CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)Nc3cccc(F)c3)cc2C[C@@H]1C ZINC000009428898 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC(C)CC3)CC2)cc1C ZINC000009466185 IF Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(O)c1 ZINC000090516584 IF Annotated Reactive in-man endogenous Cc1ccc(OCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000009539548 IF Annotated Anodyne COc1cc(CCC(=O)OCC(=O)NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000009540341 IF Annotated Anodyne Cc1cc(=O)n([C@@H](C)C(=O)N2CCC3(CC2)OCCO3)c2c1c(C)nn2-c1ccccc1 ZINC000009645341 IF Annotated Anodyne Cc1cc(=O)n([C@H](C)C(=O)N2CCC3(CC2)OCCO3)c2c1c(C)nn2-c1ccccc1 ZINC000009645344 IF Annotated Anodyne Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@@H](C)C(=O)N1CCC2(CC1)OCCO2 ZINC000009645363 IF Annotated Anodyne Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@H](C)C(=O)N1CCC2(CC1)OCCO2 ZINC000009645365 IF Annotated Anodyne CN(C)C(=O)Cn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\c1ccc(F)cc1F ZINC000009677462 IF Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cccn3c(=O)c4c5c(sc4nc23)CCCC5)CC1 ZINC000009677762 IF Annotated Anodyne O=C(c1cccn2c(=O)c3c4c(sc3nc12)CCCC4)N1CCC2(CC1)OCCO2 ZINC000009677783 IF Annotated Anodyne N#CCSc1nc2cc(C(=O)N3CCOCC3)ccc2c(=O)n1CCc1ccccc1 ZINC000009775376 IF Annotated Anodyne NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1 ZINC000009841519 IF Annotated Anodyne COc1ccccc1CNC(=O)CCCc1nnc2n3nc(C)nc3c3ccccc3n12 ZINC000009860199 IF Annotated Bother COCCCn1c(=O)c2sccc2n2c(CCCC(=O)N(C)Cc3ccco3)nnc12 ZINC000009939403 IF Annotated Anodyne COc1cc2c(c(OC)c1O)-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@@](C)(O)C2 ZINC000095099098 IF Annotated Anodyne in-vitro biogenic CC(=O)N1CCC(/C(O)=N/S(=O)(=O)Cc2ccc(C#N)cc2)(c2ccccc2)CC1 ZINC000095352919 IF Annotated Mild CC(=O)OC[C@H]1[C@]2(C)C(=O)C=C[C@@H]3C(=O)O[C@H]([C@H]4O[C@H]5C[C@H](c6ccoc6)C=C5[C@]41C)[C@H]32 ZINC000095485890 IF Annotated Mild in-vitro biogenic CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(CCc4ccc(O)cc4)[C@@H]2C(=O)N(C)[C@@H]3C1)OCO5 ZINC000095486235 IF Annotated Anodyne in-vitro biogenic COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2OS(N)(=O)=O)OC(C)(C)CC4)cc1 ZINC000095536695 IF Annotated Anodyne COc1c(Br)cc(C(=O)Nc2nnn[nH]2)c(OC(C)C)c1Br ZINC000095539601 IF Annotated Anodyne Cc1cc2c(cc1Cl)NC(=O)[C@]2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000095552065 IF Annotated Anodyne Cc1cc2c(cc1Cl)NC(=O)[C@@]2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000095552066 IF Annotated Anodyne Cc1cc2c(cc1Cl)[C@](NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2 ZINC000095553260 IF Annotated Anodyne Cc1cc2c(cc1Cl)[C@@](NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2 ZINC000095553261 IF Annotated Anodyne CCc1cc2c(-c3ccc(S(=O)(=O)NC4CCS(=O)(=O)CC4)cc3)ccnc2[nH]1 ZINC000095553560 IF Annotated Anodyne c1cnc2ccc(Cn3nnc4ncc(-c5cnn(CCN6CCCC6)c5)nc43)cc2c1 ZINC000095554503 IF Annotated Anodyne CCCCN/C(O)=N/S(=O)(=O)c1ccc(OCc2no[n+]([O-])c2-c2ccccc2)cc1 ZINC000095554921 IF Annotated Mild Cc1nc(Nc2cnn([C@@H]3CCOC3)c2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1 ZINC000095555262 IF Annotated Anodyne Cc1nc(Nc2cnn([C@H]3CCOC3)c2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1 ZINC000095555263 IF Annotated Anodyne Cc1cc(OC(=O)c2ccc(C[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000095556188 IF Annotated Anodyne Cc1cc(OC(=O)c2ccc(C[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000095556189 IF Annotated Anodyne COc1cc(N2CCNC(=O)C2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 ZINC000095556231 IF Annotated Anodyne O=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4[nH]c(C5CC5)cc34)cc2)CC1 ZINC000095556865 IF Annotated Anodyne O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1ncccn1 ZINC000095557499 IF Annotated Anodyne Cc1c(O)c(O)c2c(c1S(=O)(=O)N(C)C)CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095559908 IF Annotated Clean C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(N(C)C)c3)cc21 ZINC000095560830 IF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(N(C)C)c3)cc21 ZINC000095560831 IF Annotated Mild C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(N(C)C)cc3)cc21 ZINC000095561147 IF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(N(C)C)cc3)cc21 ZINC000095561148 IF Annotated Mild C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(NC)cc3)cc21 ZINC000095562059 IF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(NC)cc3)cc21 ZINC000095562060 IF Annotated Mild CS(=O)(=O)Nc1ccc(C(=O)N[C@H](c2cn(C3(C#N)CC3)nn2)C2CCCCC2)cc1 ZINC000095562370 IF Annotated Mild CC1(OC(=O)N2CCC(n3ncc(COc4ccc(-n5cnnn5)cc4)c3C#N)CC2)CC1 ZINC000095562714 IF Annotated Mild COc1cc([C@H]2c3sc(=O)[nH]c3SC[C@@]2(CC(=O)O)C(=O)O)ccc1OC(F)F ZINC000095563026 IF Annotated Anodyne Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)c(F)c3)c3cn(C)nc3c2)cn1 ZINC000095563083 IF Annotated Anodyne C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NC)c3)cc21 ZINC000095563173 IF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NC)c3)cc21 ZINC000095563174 IF Annotated Mild CC(C)CCNC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1 ZINC000095563355 IF Annotated Anodyne N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)N3CCCC3)c(=O)n3ccccc23)CC1 ZINC000095563694 IF Annotated Mild CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)O[C@@](C)(CO)CN2C ZINC000095564434 IF Annotated Anodyne CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)O[C@](C)(CO)CN2C ZINC000095564435 IF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1 ZINC000095565751 IF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1 ZINC000095565752 IF Annotated Anodyne COc1c(N2CCOCC2)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O ZINC000095565880 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095566374 IF Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCOCC3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095567825 IF Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(OC)cc2)CC1 ZINC000095567873 IF Annotated Clean CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(OC)cc2)CC1 ZINC000095567874 IF Annotated Clean CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095568267 IF Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cncnc4)c3)n1)[C@@H](CCO)N(C(C)=O)C2 ZINC000095568736 IF Annotated Anodyne CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C)C(=O)c1cc(OC)ccc12 ZINC000095568827 IF Annotated Anodyne CNC[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095569503 IF Annotated Mild CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095570828 IF Annotated Anodyne CN(C)C(=O)C1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000095572721 IF Annotated Bother CN(CCN1CCCC1)C(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1 ZINC000095572730 IF Annotated Anodyne O[C@@H]1CC[C@@H](Oc2cccc3onc(OCC4CCN(CC5(O)CCOCC5)CC4)c23)C1 ZINC000095572822 IF Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F ZINC000095573212 IF Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F ZINC000095573213 IF Annotated Anodyne COc1cc2c(cc1OC)[C@H]1CN3C(=O)CC[C@H]3[C@H](O)[C@H]1c1cc(OC)c(OC)cc1-2 ZINC000095573937 IF Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CN2CCOCC2)ccc1-n1cnc(C)c1 ZINC000095573951 IF Annotated Anodyne COc1cc2c(=O)n(CCCn3ccnc3)c3c(c2cc1O)C(=O)c1cc2c(cc1-3)OCO2 ZINC000095573973 IF Annotated Clean CS(=O)(=O)N1CCC2(CC1)CN=C1c3ccc(Br)cc3SC(=N)N1C2 ZINC000095574403 IF Annotated Anodyne O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1N1CCNCC1 ZINC000095574447 IF Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(NCCc3ccccc3)ccc21 ZINC000095574583 IF Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3cccc(C)c3)c2)OC1(C)C ZINC000095574882 IF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1OC1CCC1 ZINC000095575123 IF Annotated Anodyne COc1ccccc1CNc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000095575276 IF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCC1 ZINC000095575627 IF Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000095575664 IF Annotated Anodyne COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1O)-c1cc2c(cc1C3=O)OCO2 ZINC000095575725 IF Annotated Clean CO[C@@H](C(=O)NCC[C@@H](c1ccccc1)c1ccco1)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C ZINC000095576253 IF Annotated Anodyne CO[C@@H](C(=O)NCC[C@H](c1ccccc1)c1ccco1)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C ZINC000095576254 IF Annotated Anodyne CN1C(=N)N[C@@]2(c3cc(-c4cccc(C#N)c4)cs3)CN(c3ncc(F)cn3)C[C@H]2C1=O ZINC000095576320 IF Annotated Mild COc1cnc2c(ccn2S(=O)(=O)c2ccc(OC)c(NC3CCN(C)CC3)c2)c1 ZINC000095576411 IF Annotated Anodyne CC(C)(O)CNc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000095576457 IF Annotated Anodyne O=C(c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1)N1CCCCC1 ZINC000095576771 IF Annotated Anodyne Cc1cnc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(-c4cccc(C#N)c4)cs3)C2)nc1 ZINC000095577065 IF Annotated Mild COc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C ZINC000095578578 IF Annotated Anodyne CCOC(=O)c1c2c(c(C)n1C)-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2 ZINC000095578795 IF Annotated Anodyne N#Cc1ccc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)cc1Br ZINC000095579138 IF Annotated Mild CN(Cc1ccccc1)c1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000095580307 IF Annotated Anodyne CCOC(=O)CC1=CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095581735 IF Annotated Anodyne CCOC(=O)C=C1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095581981 IF Annotated Anodyne CC(C)N1C[C@H](c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)OC1=O ZINC000095582267 IF Annotated Anodyne CC(C)N1C[C@@H](c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)OC1=O ZINC000095582268 IF Annotated Anodyne CCOC(=O)C=C1CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 ZINC000095583245 IF Annotated Anodyne N#Cc1ccccc1CN1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000095583247 IF Annotated Mild CCOC(=O)C(C)=C1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095584077 IF Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3C(F)(F)F)[C@@H]12 ZINC000095584824 IF Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3C(F)(F)F)[C@@H]12 ZINC000095584825 IF Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3C(F)(F)F)[C@H]12 ZINC000095584826 IF Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3C(F)(F)F)[C@H]12 ZINC000095584827 IF Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3c(Cl)cccc3Cl)[C@@H]12 ZINC000095585613 IF Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3c(Cl)cccc3Cl)[C@@H]12 ZINC000095585614 IF Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3c(Cl)cccc3Cl)[C@H]12 ZINC000095585615 IF Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3c(Cl)cccc3Cl)[C@H]12 ZINC000095585616 IF Annotated Anodyne CCc1[nH]c2nc(Oc3cnc4ccc[n+]([O-])c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095585910 IF Annotated Anodyne CN(C)CCSCCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13 ZINC000095586365 IF Annotated Clean CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C#N)ON1C ZINC000095586718 IF Annotated Mild CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)ON1C ZINC000095586975 IF Annotated Anodyne CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C1 ZINC000095587046 IF Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCC#CCCN4CC4)ccc31)C(=O)c1ccncc1-2 ZINC000095587750 IF Annotated Mild CCc1[nH]c2nc(Sc3cnc4ncc(O)nc4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095588604 IF Annotated Anodyne COC(=O)/C(C)=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C ZINC000095588663 IF Annotated Mild CS(=O)(=O)NCc1cccc(-c2cc(=O)n(C[C@@H]3CCCNC3)c3ccccc23)c1 ZINC000095589994 IF Annotated Anodyne CS(=O)(=O)NCc1cccc(-c2cc(=O)n(C[C@H]3CCCNC3)c3ccccc23)c1 ZINC000095589995 IF Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN4CCN(C)CC4)[C@@H](C=C4C(=O)c5ccccc5O[C@]431)C2=O ZINC000095591161 IF Annotated Mild CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)ON1C ZINC000095591222 IF Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C#N)ON1C ZINC000095591439 IF Annotated Mild CCOC(=O)/C=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C ZINC000095591443 IF Annotated Mild CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(CC(F)(F)F)cc1)CC2 ZINC000095591612 IF Annotated Anodyne NS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5nc[nH]c5c4)cc3C2)cc1 ZINC000095591867 IF Annotated Anodyne Cc1cn([C@H]2CCCN(S(=O)(=O)c3cccc(Oc4ccccc4)c3)C2)c(=O)[nH]c1=O ZINC000095591940 IF Annotated Anodyne NC(=O)c1nc(C2CC2)nc2c1CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000095592731 IF Annotated Anodyne CN(CCC[C@]1(O)[C@H]2CCN(C)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1 ZINC000095593119 IF Annotated Clean O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cncs3)ccnc12 ZINC000095597467 IF Annotated Anodyne CC(=O)Nc1cc(Cc2cc3oc4cc(=O)c(NC(C)=O)cc-4nc3cc2CO)ccc1O ZINC000095597527 IF Annotated Bother O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095598792 IF Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccnc1 ZINC000095599117 IF Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccnc1 ZINC000095599118 IF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H]2CO ZINC000095599148 IF Annotated Mild COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@H](C)c2ccccc2)O[C@@H]1CO ZINC000095599413 IF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095599443 IF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095599572 IF Annotated Mild CCNC(=O)c1cc2c(c(-c3cccc(-c4cncnc4)c3)n1)[C@H](CCO)N(C(C)=O)C2 ZINC000095599595 IF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095600137 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO ZINC000095600629 IF Annotated Anodyne COc1cccc([C@@H](C(=O)NC2CCCC2)N2CCN(c3ncccc3C#N)CC2)c1OC ZINC000095600658 IF Annotated Mild COc1cccc([C@H](C(=O)NC2CCCC2)N2CCN(c3ncccc3C#N)CC2)c1OC ZINC000095600659 IF Annotated Mild CCCCCCCCCCOc1nc(N)nc2c1ncn2CC(=O)N[C@@H](C)C(=O)OC ZINC000095601191 IF Annotated Mild COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095601256 IF Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095601309 IF Annotated Mild COc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H]3[C@H](CN3Cc3cc(F)ccc3F)O2)cc1 ZINC000095601657 IF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095601661 IF Annotated Mild CC#CCn1c(N2CCC[C@@H](N)C2)nc2ccn(Cc3ccc4ccc(F)cc4n3)c2c1=O ZINC000095601825 IF Annotated Mild COC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CN(Cc1cccn1-c1ncccn1)CCO2 ZINC000095602332 IF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095602670 IF Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(-c3ccn(C#Cc4ccccc4)n3)cc2S1(=O)=O ZINC000095602977 IF Annotated Mild CC[C@H](C(=O)O)N1Cc2sc(-c3ccn(C#Cc4ccccc4)n3)cc2S1(=O)=O ZINC000095602978 IF Annotated Mild CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)CCC)cc3C(=O)N2C)O1 ZINC000095603440 IF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1 ZINC000095603690 IF Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000095604065 IF Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000095604066 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO ZINC000095604264 IF Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095604298 IF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095604563 IF Annotated Anodyne CC#CCn1c(N2CCC[C@@H](N)C2)nc2ccn(Cc3ccc4ccccc4n3)c2c1=O ZINC000095604945 IF Annotated Mild CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095605133 IF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095605189 IF Annotated Anodyne CC(C)(C)OC(=O)C1CCN(c2ccc3c(c2)-n2c(nc4ncccc4c2=O)C3=O)CC1 ZINC000095605294 IF Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CCC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095605392 IF Annotated Mild O=S1(=O)Cc2nc(-c3cc(F)c(Cl)cc3F)nc(N3CCC(CO)CC3)c2C1 ZINC000095607152 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095661060 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095661068 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CN(C(C)=O)C1 ZINC000095661283 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CCN(C)CC1 ZINC000095661406 IF Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095661793 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095661797 IF Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN(C)C2=O ZINC000095661799 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095661960 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095661963 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095661980 IF Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN(C)C2=O ZINC000095661992 IF Annotated Anodyne CCC(=O)N1CC2(CN(Cc3nccs3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095662009 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC1CCCCC1)CC31CN(C)C1 ZINC000095662041 IF Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(C)=O)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095662102 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc2c(c1)OCO2)CC31CN(C)C1 ZINC000095662200 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095662336 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095662500 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095662563 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095662671 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095662673 IF Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN(C)C2=O ZINC000095662685 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CCN(C)CC1 ZINC000095662787 IF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CCCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095662911 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095662928 IF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)CCC)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095663130 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@H]32)c1 ZINC000095663211 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CCN(C)CC1 ZINC000095663270 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095663431 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095663685 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(C(=O)Nc2c(C)noc2C)C1 ZINC000095663834 IF Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN(C)C2=O ZINC000095664037 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CN(C(=O)Nc2c(C)noc2C)C1 ZINC000095664046 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095664140 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095664220 IF Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(C)=O)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095664310 IF Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)CCC)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095664322 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCC3CCCC3)cc2O[C@H]1CN(C)C ZINC000095664550 IF Annotated Mild CNC[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095664704 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095664749 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095664777 IF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCC3CCCC3)cc2O[C@@H]1CN(C)C ZINC000095664854 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095664879 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095664899 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095664930 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095664966 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)C ZINC000095664972 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095665016 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095665080 IF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095665259 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095665362 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(Cc2nccs2)C1 ZINC000095665940 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(Cc2nccs2)C1 ZINC000095665942 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CC2)C1 ZINC000095665945 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CC2)C1 ZINC000095666001 IF Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)CC3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095666097 IF Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)CC3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095666100 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CC2)C1 ZINC000095666209 IF Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)C1CCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095666272 IF Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)C1CCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095666274 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CC2)C1 ZINC000095666323 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(CC2CC2)C1 ZINC000095666469 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(CC2CC2)C1 ZINC000095666471 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC1CCCCC1)CC31CN(C)C1 ZINC000095666640 IF Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)C3CCC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095666710 IF Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)C3CCC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095666712 IF Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095666739 IF Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095666741 IF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H]1C ZINC000095666814 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095666825 IF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H]1C ZINC000095667037 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095667058 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095667088 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095667444 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095667535 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)NC[C@H]1C ZINC000095667543 IF Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CCOCC2)C3)c1 ZINC000095667582 IF Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CCOCC2)C3)c1 ZINC000095667584 IF Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CCOCC2)C3)c1 ZINC000095667588 IF Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CCOCC2)C3)c1 ZINC000095667593 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095667595 IF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H]1C ZINC000095667598 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095667644 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095667840 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095667844 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095667851 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095667873 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095668273 IF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095668282 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095668302 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095668335 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095668366 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095668374 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCCC)cc3C(=O)N2C)O1 ZINC000095668451 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095668572 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N[C@H](C)c2ccccc2)O[C@@H]1CO ZINC000095668706 IF Annotated Anodyne CCS(=O)(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095675130 IF Annotated Anodyne CCS(=O)(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095675131 IF Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095675132 IF Annotated Anodyne CCS(=O)(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095675133 IF Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095675134 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095675269 IF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095675270 IF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095675271 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095675272 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095675273 IF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095675274 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095675275 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@H]1CO ZINC000095675388 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO ZINC000095675389 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@@H]1CO ZINC000095675390 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@H](CC(=O)N[C@H](C)c2ccccc2)O[C@@H]1CO ZINC000095675391 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO ZINC000095675392 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@H]1CO ZINC000095675393 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@@H]1CO ZINC000095675394 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@@H]1CO ZINC000095675395 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@H]1CO ZINC000095675396 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO ZINC000095675397 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@H]1CO ZINC000095675398 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@@H]1CO ZINC000095675399 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@@H]1CO ZINC000095675400 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO ZINC000095675401 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@@H]1CO ZINC000095675402 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@H]1CO ZINC000095676164 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO ZINC000095676165 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1C=C[C@H](CC(=O)N[C@H](C)c2ccccc2)O[C@@H]1CO ZINC000095676166 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1C=C[C@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@@H]1CO ZINC000095676167 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@H]1CO ZINC000095676168 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@@H]1CO ZINC000095676169 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@@H]1CO ZINC000095676170 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@H]1CO ZINC000095676171 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1C=C[C@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO ZINC000095676172 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@@H]1CO ZINC000095676173 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@@H]1CO ZINC000095676174 IF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095677998 IF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095677999 IF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095678001 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095679370 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095679371 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095679372 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095679373 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095679374 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095679375 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095679376 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CC1)[C@@H](C)CO2 ZINC000095679630 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CC1)[C@H](C)CO2 ZINC000095679631 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CC1)[C@H](C)CO2 ZINC000095679632 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CC1)[C@@H](C)CO2 ZINC000095679633 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CC1)[C@H](C)CO2 ZINC000095679634 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CC1)[C@@H](C)CO2 ZINC000095679635 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CC1)[C@H](C)CO2 ZINC000095679636 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CC1)[C@@H](C)CO2 ZINC000095679637 IF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H]1C ZINC000095679807 IF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H]1C ZINC000095679809 IF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H]1C ZINC000095679810 IF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H]1C ZINC000095679811 IF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H]1C ZINC000095679812 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095686800 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095686801 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095686802 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095686803 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095686804 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095686805 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095686806 IF Annotated Anodyne CCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@H]1C ZINC000095687517 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688050 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688051 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688052 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688053 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688054 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688055 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688056 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095688153 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095688154 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095688155 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095688156 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095688157 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095688158 IF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H]1C ZINC000095688167 IF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H]1C ZINC000095688168 IF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H]1C ZINC000095688169 IF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H]1C ZINC000095688170 IF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H]1C ZINC000095688171 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095688180 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095688181 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095688182 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095688183 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095688184 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095688185 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095688271 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688272 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688273 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095688274 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095688275 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095688276 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688432 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688433 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688434 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688435 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688436 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688437 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688438 IF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H]1C ZINC000095688764 IF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H]1C ZINC000095688765 IF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H]1C ZINC000095688766 IF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H]1C ZINC000095688767 IF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H]1C ZINC000095688768 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095689814 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095689816 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095689818 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095689821 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095689822 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095689824 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095689826 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095689828 IF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]1C ZINC000095689831 IF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]1C ZINC000095689832 IF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]1C ZINC000095689835 IF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]1C ZINC000095689837 IF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]1C ZINC000095689838 IF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]1C ZINC000095689841 IF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]1C ZINC000095689842 IF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]1C ZINC000095689844 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689984 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689986 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689987 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689990 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689991 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095689993 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689995 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095690011 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095690013 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095690015 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095690017 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095690019 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095690021 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095690023 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095690026 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690835 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095690839 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690877 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690911 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690963 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095691086 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691245 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095691271 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095691318 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691334 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691336 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691362 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095691455 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095691540 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095691692 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095691714 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095691899 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095691926 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095692059 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692756 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692807 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692854 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692897 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095693130 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095693238 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095693252 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC)[C@@H](C)CO2 ZINC000095693488 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)CC)[C@@H](C)CO2 ZINC000095693492 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC)[C@H](C)CO2 ZINC000095693559 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC)[C@H](C)CO2 ZINC000095693768 IF Annotated Anodyne CCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@H]1C ZINC000095693806 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC)[C@@H](C)CO2 ZINC000095693896 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)CC)[C@@H](C)CO2 ZINC000095693919 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)CC)[C@H](C)CO2 ZINC000095693975 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C ZINC000095699287 IF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)C ZINC000095699514 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C ZINC000095699515 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O ZINC000095699516 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)C ZINC000095699517 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O ZINC000095699518 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C ZINC000095699519 IF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095700128 IF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095700129 IF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095700130 IF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095700131 IF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095700132 IF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095700133 IF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095700415 IF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095700416 IF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700417 IF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700418 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701702 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701703 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701704 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701705 IF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095701751 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095701752 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095701753 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095701754 IF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701768 IF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701769 IF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701770 IF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701771 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CCC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708954 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CCC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708955 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CCC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708956 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CCC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708957 IF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CCC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708958 IF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@H]1CN(C)C ZINC000095709237 IF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@@H]1CN(C)C ZINC000095709238 IF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000095709239 IF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@H]1CN(C)C ZINC000095709240 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@@H]1CN(C)C ZINC000095709241 IF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@H]1CN(C)C ZINC000095709242 IF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000095709243 IF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@@H]1CN(C)C ZINC000095709244 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)C ZINC000095709533 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C ZINC000095709534 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3cccc(C#N)c3)ccc2S1(=O)=O ZINC000095709535 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)C ZINC000095709536 IF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C ZINC000095709537 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)C ZINC000095709539 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3cccc(C#N)c3)ccc2S1(=O)=O ZINC000095709540 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C ZINC000095709542 IF Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709599 IF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709601 IF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709603 IF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709606 IF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709608 IF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709610 IF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709612 IF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709613 IF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095709740 IF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095709742 IF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095709744 IF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095709746 IF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095709748 IF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095709750 IF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095709752 IF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095709754 IF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095710234 IF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095710236 IF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095710238 IF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095710240 IF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095710242 IF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095710244 IF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095710246 IF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095710248 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C ZINC000095711509 IF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C ZINC000095711511 IF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095711513 IF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C ZINC000095711515 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C ZINC000095711517 IF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C ZINC000095711519 IF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095711521 IF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C ZINC000095711523 IF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711805 IF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711807 IF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711809 IF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711812 IF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711814 IF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711816 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCC3CCCC3)cc2O[C@@H]1CN(C)C ZINC000095712798 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#CCC3CCCC3)ccc2S1(=O)=O ZINC000095712802 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCC3CCCC3)cc2O[C@H]1CN(C)C ZINC000095712805 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCC3CCCC3)cc2O[C@H]1CN(C)C ZINC000095712808 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#CCC3CCCC3)ccc2S1(=O)=O ZINC000095712811 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCC3CCCC3)cc2O[C@@H]1CN(C)C ZINC000095712814 IF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095712817 IF Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095712819 IF Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095712823 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCCC3)cc2O[C@H]1CN(C)C ZINC000095714487 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCCC3)cc2O[C@@H]1CN(C)C ZINC000095714489 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#CC3CCCCC3)ccc2S1(=O)=O ZINC000095714490 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCCC3)cc2O[C@H]1CN(C)C ZINC000095714493 IF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCCC3)cc2O[C@@H]1CN(C)C ZINC000095714494 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCCC3)cc2O[C@H]1CN(C)C ZINC000095714496 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#CC3CCCCC3)ccc2S1(=O)=O ZINC000095714498 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCCC3)cc2O[C@@H]1CN(C)C ZINC000095714500 IF Annotated Mild COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714528 IF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714530 IF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714532 IF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714534 IF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714536 IF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714538 IF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714541 IF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714543 IF Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714579 IF Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095714581 IF Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714583 IF Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095714584 IF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715230 IF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715232 IF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715234 IF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715235 IF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715237 IF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715239 IF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715242 IF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715244 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C ZINC000095715272 IF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)C ZINC000095715274 IF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O ZINC000095715276 IF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C ZINC000095715278 IF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C ZINC000095715280 IF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O ZINC000095715282 IF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)C ZINC000095715284 IF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)C ZINC000095715615 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)C ZINC000095715618 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O ZINC000095715619 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)C ZINC000095715622 IF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)C ZINC000095715624 IF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)C ZINC000095715626 IF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O ZINC000095715628 IF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)C ZINC000095715630 IF Annotated Mild Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715632 IF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715634 IF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715636 IF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715637 IF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715639 IF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715641 IF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715643 IF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715644 IF Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095715747 IF Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095715749 IF Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095715751 IF Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095715754 IF Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095715755 IF Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095715757 IF Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095715759 IF Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095715762 IF Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726207 IF Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726210 IF Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726212 IF Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726214 IF Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726783 IF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726786 IF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726789 IF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726792 IF Annotated Mild CNC[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095727495 IF Annotated Mild CNC[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727499 IF Annotated Mild CNC[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095727502 IF Annotated Mild CNC[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727504 IF Annotated Mild CNC[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095727507 IF Annotated Mild CNC[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727509 IF Annotated Mild CNC[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095731308 IF Annotated Mild CNC[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095731544 IF Annotated Mild CNC[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095731835 IF Annotated Mild CNC[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731933 IF Annotated Mild COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000095783927 IF Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2NC(=O)N(C)[C@@]1(COCc1ccc(OC)cc1)Oc1ccccc12 ZINC000095784793 IF Annotated Anodyne COc1ccc(COC[C@]23N=C4SCC(=O)N4[C@H](c4ccccc4O2)[C@H]3CO)cc1 ZINC000095784816 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc2c(c1)OCO2)CC31CN(C)C1 ZINC000095793700 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095793718 IF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)CC1CC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793722 IF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)CC1CC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793723 IF Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)C3CCC3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095793724 IF Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)C3CCC3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095793725 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(C)=O)CC1 ZINC000095793744 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(C)=O)CC1 ZINC000095793745 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CCN(C)CC1 ZINC000095793864 IF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)O)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095793990 IF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095794072 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C4CCCC4)nn3)O[C@@H]2CO)cc1 ZINC000095794156 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095794163 IF Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794229 IF Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095794231 IF Annotated Anodyne O=C(Cc1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095794296 IF Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095794304 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095794316 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095794345 IF Annotated Anodyne O=C(Cc1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095794364 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095794380 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCCC)cc3C(=O)N2C)O1 ZINC000095794386 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCCC)cc3C(=O)N2C)O1 ZINC000095794490 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095794504 IF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CN(C)C)C3)cc1 ZINC000095794648 IF Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095794730 IF Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095794731 IF Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095794732 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C4CCCC4)nn3)O[C@H]2CO)cc1 ZINC000095794817 IF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095794832 IF Annotated Anodyne O=C(Cc1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095794993 IF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795027 IF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795029 IF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795030 IF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795032 IF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795034 IF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795036 IF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795038 IF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795039 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 ZINC000095795126 IF Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795154 IF Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795155 IF Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095795156 IF Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795157 IF Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795158 IF Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795159 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095795209 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095795210 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095795257 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095795258 IF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095795259 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795282 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795283 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795284 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795285 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795286 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795287 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795303 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795304 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795306 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795308 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095795344 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795345 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795346 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795347 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795348 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095795349 IF Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1 ZINC000095795471 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095795472 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095795495 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC(C)C)cc1)[C@@H]2CO ZINC000095795496 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095795498 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1 ZINC000095795500 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC(C)C)cc1)[C@@H]2CO ZINC000095795501 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095795502 IF Annotated Mild O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1C(=O)C1CCCC1 ZINC000095795541 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1cccnc1 ZINC000095795557 IF Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1cccnc1 ZINC000095795574 IF Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795581 IF Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095795582 IF Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795583 IF Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095795584 IF Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095795585 IF Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795609 IF Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795680 IF Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795695 IF Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795696 IF Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795697 IF Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795698 IF Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795699 IF Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795758 IF Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795759 IF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccncc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795827 IF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@@H]34)cc2)c1 ZINC000095795828 IF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@@H]34)cc2)c1 ZINC000095795829 IF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@H]34)cc2)c1 ZINC000095795830 IF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@@H]34)cc2)c1 ZINC000095795831 IF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@H]34)cc2)c1 ZINC000095795846 IF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@@H]34)cc2)c1 ZINC000095795847 IF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccncc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795848 IF Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795861 IF Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095795862 IF Annotated Mild CCCNC(=O)N1CC2(C1)CN(C(=O)CCC)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796091 IF Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(C)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796117 IF Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)CCC)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796148 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095796155 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095796157 IF Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)CC1CC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796204 IF Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)CC1CC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796205 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccn1)CC31CCN(C)CC1 ZINC000095796229 IF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(/C=C/c3ccccc3)cc2)C12CN(S(C)(=O)=O)C2 ZINC000095796266 IF Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(C)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796303 IF Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(C)=O)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796304 IF Annotated Anodyne COc1ccc(CN2CC3(CN(C(C)=O)C3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc1 ZINC000095796510 IF Annotated Anodyne COc1ccc(CN2CC3(CN(C(C)=O)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc1 ZINC000095796511 IF Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H](CO)N2S(=O)(=O)CC ZINC000095796520 IF Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@H](CO)N2S(=O)(=O)CC ZINC000095796521 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000095796625 IF Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095796694 IF Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095796696 IF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCOCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095796747 IF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CCOCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095796748 IF Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095796801 IF Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N(CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095796802 IF Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095796803 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095796814 IF Annotated Anodyne COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCOCC4)[C@H]3C#N)cc2)c1 ZINC000095796822 IF Annotated Mild O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095796823 IF Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095796833 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095796834 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095796835 IF Annotated Mild CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCCC)cc3C(=O)N2C)O1 ZINC000095796862 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095796865 IF Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095796870 IF Annotated Mild O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095796896 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095796922 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C4CCCC4)nn3)O[C@H]2CO)cc1 ZINC000095796923 IF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095796937 IF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095796942 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095796964 IF Annotated Mild O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095796971 IF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095796976 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095797011 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095797024 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095797056 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095797064 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095797107 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095797116 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095797139 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCCC)cc3C(=O)N2C)O1 ZINC000095797147 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095797156 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095797171 IF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095797190 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCCC)cc3C(=O)N2C)O1 ZINC000095797210 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095797228 IF Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095797234 IF Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095797235 IF Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095797236 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095797249 IF Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797275 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095797276 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797277 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797278 IF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095797285 IF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095797303 IF Annotated Mild O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2CC1CCCC1 ZINC000095797337 IF Annotated Anodyne CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCC1 ZINC000095797345 IF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO ZINC000095797401 IF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095797552 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095797553 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095797554 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797555 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797575 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797576 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797577 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095797579 IF Annotated Mild O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095797590 IF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797664 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797665 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095797666 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095797667 IF Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797668 IF Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCCCC2)C3)cc1 ZINC000095797688 IF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797704 IF Annotated Mild CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 ZINC000095797725 IF Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797757 IF Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797758 IF Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@H]34)cc2)cc1 ZINC000095797759 IF Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797760 IF Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797761 IF Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@H]34)cc2)cc1 ZINC000095797762 IF Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797792 IF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095797806 IF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095797807 IF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095797808 IF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095797809 IF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095797810 IF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797811 IF Annotated Mild O=C1CN(S(=O)(=O)c2ccccc2)C[C@@H]2[C@H](c3ccc(C4=CCCC4)cc3)[C@@H](CO)N12 ZINC000095797888 IF Annotated Anodyne O=C1CN(S(=O)(=O)c2ccccc2)C[C@H]2[C@@H](c3ccc(C4=CCCC4)cc3)[C@H](CO)N12 ZINC000095797889 IF Annotated Anodyne O=C1CN(S(=O)(=O)c2ccccc2)C[C@H]2[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H](CO)N12 ZINC000095797890 IF Annotated Anodyne O=C1CN(S(=O)(=O)c2ccccc2)C[C@H]2[C@H](c3ccc(C4=CCCC4)cc3)[C@@H](CO)N12 ZINC000095797891 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797896 IF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797897 IF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797898 IF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797899 IF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797900 IF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797901 IF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797908 IF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797909 IF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095797910 IF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797911 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095798108 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095798109 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095798110 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095798111 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095798112 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095798113 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095798114 IF Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095798122 IF Annotated Mild O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095798157 IF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095798158 IF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095798159 IF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095798160 IF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095798161 IF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095798162 IF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095798163 IF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095798164 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095798347 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095798371 IF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095798400 IF Annotated Mild O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095798403 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095798415 IF Annotated Mild O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095798426 IF Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N(C)[C@@H](C(=O)Nc3ccccc3)[C@@H]2CO)cc1 ZINC000095798434 IF Annotated Anodyne CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCCC1 ZINC000095798455 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095798467 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCCC)cc3C(=O)N2C)O1 ZINC000095798468 IF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095798488 IF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095798513 IF Annotated Anodyne CCCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@@H](C(=O)OCC)/C1=N/C(=O)C(C)(C)C ZINC000095798580 IF Annotated Mild CCCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@H](C(=O)OCC)/C1=N/C(=O)C(C)(C)C ZINC000095798581 IF Annotated Mild CCCCN1C2=N[C@H]3C=CC=CN3C(=O)C2=C[C@@H](C(=O)OCC)/C1=N/C(=O)C(C)(C)C ZINC000095798582 IF Annotated Mild CCCCN1C2=N[C@H]3C=CC=CN3C(=O)C2=C[C@H](C(=O)OCC)/C1=N/C(=O)C(C)(C)C ZINC000095798583 IF Annotated Mild Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O ZINC000095808876 IF Annotated Reactive O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095864435 IF Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095864438 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095864451 IF Annotated Mild CN1[C@H](C(=O)NC2CCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095864452 IF Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095864502 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095864503 IF Annotated Mild O=C(NC1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095864557 IF Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(C)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095864804 IF Annotated Anodyne COc1cc(CN2CC3(CN(C)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095864817 IF Annotated Anodyne COc1cc(CN2CC3(CN(C)C3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095864890 IF Annotated Anodyne CCC(=O)N1CC2(CN(Cc3cccnc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095864965 IF Annotated Anodyne CCC(=O)N1CC2(CN(Cc3cccnc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095864966 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2ccccc2OC)C1 ZINC000095865028 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2ccccc2OC)C1 ZINC000095865069 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)CC2CC2)C1 ZINC000095865091 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)CC2CC2)C1 ZINC000095865093 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000095865154 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000095865156 IF Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3cncnc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865283 IF Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3cncnc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865284 IF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(C)=O)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865332 IF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(C)=O)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865333 IF Annotated Anodyne COc1ccc(CN2CC3(CN(C(C)=O)C3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)cc1 ZINC000095865398 IF Annotated Anodyne COc1ccc(CN2CC3(CN(C(C)=O)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc1 ZINC000095865399 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095865433 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(C(C)=O)C1 ZINC000095865566 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(C(C)=O)C1 ZINC000095865567 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CCN(C)CC1 ZINC000095865606 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CCN(C)CC1 ZINC000095865607 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095865622 IF Annotated Mild CCCNC(=O)N1CCC2(CC1)CN(C(=O)CC)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865741 IF Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CC)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865742 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccn5)C[C@@H]34)cc2)cc1 ZINC000095865999 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccn5)C[C@H]34)cc2)cc1 ZINC000095866000 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866099 IF Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@H]34)cc2)c1 ZINC000095866139 IF Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@@H]34)cc2)c1 ZINC000095866140 IF Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@@H]34)cc2)c1 ZINC000095866141 IF Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cccnc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095866142 IF Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@@H]34)cc2)c1 ZINC000095866158 IF Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cccnc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095866160 IF Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@@H]34)cc2)c1 ZINC000095866162 IF Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@H]34)cc2)c1 ZINC000095866164 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866174 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866175 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866176 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866177 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866178 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866211 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866212 IF Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095866214 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095866216 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095866218 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095866219 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095866221 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095866242 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095866244 IF Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095866246 IF Annotated Mild COc1cc(-n2nc3c(Br)cc(N)c(Cl)c3n2)c(NC(C)=O)cc1N ZINC000095866311 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccn5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866423 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccn5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866425 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5ccccn5)C[C@@H]34)cc2)cc1 ZINC000095866427 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccn5)C[C@@H]34)cc2)cc1 ZINC000095866429 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095866526 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095866635 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095866647 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@H]34)cc2)cc1 ZINC000095866676 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccncc5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866677 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095866678 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccncc5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866680 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095866682 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@H]34)cc2)cc1 ZINC000095866684 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095866687 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCCC)cc3C(=O)N2C)O1 ZINC000095866705 IF Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095866710 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095866755 IF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095866825 IF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095866858 IF Annotated Mild O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095866903 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095866981 IF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095866988 IF Annotated Mild O=C(NC1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095866990 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095867005 IF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095867009 IF Annotated Mild O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095867016 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CN(C(C)=O)C1 ZINC000095867679 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(C(=O)Nc2c(C)noc2C)C1 ZINC000095867701 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)Nc2c(C)noc2C)C1 ZINC000095867702 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095867946 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1C=C[C@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@H]1CO ZINC000095867976 IF Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N[C@@H](C)c2ccccc2)O[C@@H]1CO ZINC000095867992 IF Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1nccs1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868430 IF Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1nccs1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868431 IF Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccncc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095868478 IF Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccncc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095868479 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(CC2CC2)C1 ZINC000095868517 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(CC2CC2)C1 ZINC000095868518 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095868526 IF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095868527 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(C(C)=O)C1 ZINC000095868532 IF Annotated Anodyne CCCC(=O)N1CC2(CCN(C(C)=O)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095868548 IF Annotated Anodyne CCCC(=O)N1CC2(CCN(C(C)=O)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095868549 IF Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095868562 IF Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095868563 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095868564 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095868565 IF Annotated Anodyne COc1cccc(CN2CC3(CN(C(C)=O)C3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095868566 IF Annotated Anodyne COc1cccc(CN2CC3(CN(C(C)=O)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095868567 IF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(C(C)=O)C1 ZINC000095868600 IF Annotated Anodyne CCC(=O)N1CC2(CN(Cc3nccs3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095868740 IF Annotated Anodyne O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095868796 IF Annotated Anodyne O=C(c1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095868797 IF Annotated Anodyne O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095868837 IF Annotated Anodyne O=C(c1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095868838 IF Annotated Anodyne O=C(c1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095868839 IF Annotated Anodyne O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CCCC1 ZINC000095869171 IF Annotated Anodyne COc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H]3[C@@H](CN3Cc3cc(F)ccc3F)O2)cc1 ZINC000095869182 IF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCCCC2)C3)cc1 ZINC000095869197 IF Annotated Anodyne O=C(NC1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095869213 IF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCCCC2)C3)cc1 ZINC000095869219 IF Annotated Anodyne COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H]3[C@H](CN3Cc3cc(F)ccc3F)O2)cc1 ZINC000095869281 IF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CCCC1 ZINC000095869322 IF Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095869359 IF Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)Nc4ccccc4)N(C)[C@@H]32)cc1 ZINC000095869394 IF Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095869407 IF Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095869410 IF Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095869500 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095869512 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095869513 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095869514 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095869515 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095869516 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095869517 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095869518 IF Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095869519 IF Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095869520 IF Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095869521 IF Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095869522 IF Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095869523 IF Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095869524 IF Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095869525 IF Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095869526 IF Annotated Mild Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@H]34)cc2)cc1 ZINC000095869531 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@@H]34)cc2)cc1 ZINC000095869532 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@@H]34)cc2)cc1 ZINC000095869533 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@@H]34)cc2)cc1 ZINC000095869554 IF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cccnc5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095869555 IF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cccnc5)C[C@H]34)cc2)cc1 ZINC000095869556 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095869557 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095869558 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095869559 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095869598 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095869599 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095869600 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095869601 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095869602 IF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095869635 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095871303 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccn4)C[C@H]23)cc1 ZINC000095871304 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871305 IF Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095871340 IF Annotated Mild O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871341 IF Annotated Mild O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871342 IF Annotated Mild O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095871343 IF Annotated Mild O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871344 IF Annotated Mild O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095871365 IF Annotated Mild O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095871366 IF Annotated Mild O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871367 IF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095871371 IF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095871372 IF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095871373 IF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095871374 IF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095871375 IF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095871376 IF Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccccn5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095871420 IF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095871451 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095871468 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095871469 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095871470 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095871471 IF Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccn5)C[C@@H]34)cc2)cc1 ZINC000095871503 IF Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccn5)C[C@H]34)cc2)cc1 ZINC000095871504 IF Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccn5)C[C@@H]34)cc2)cc1 ZINC000095871505 IF Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccccn5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095871506 IF Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccn5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095871512 IF Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccn5)C[C@@H]34)cc2)c1 ZINC000095871513 IF Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccn5)C[C@@H]34)cc2)c1 ZINC000095871514 IF Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccn5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095871515 IF Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccn5)C[C@H]34)cc2)c1 ZINC000095871516 IF Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5ccccn5)C[C@@H]34)cc2)c1 ZINC000095871517 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095871543 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095871544 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095871545 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095871546 IF Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095871588 IF Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095871589 IF Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095871590 IF Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095871591 IF Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095871592 IF Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095871627 IF Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095871628 IF Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095871629 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095871630 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095871631 IF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095871632 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095871714 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095871736 IF Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095871828 IF Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)NC[C@H]1C ZINC000095871875 IF Annotated Anodyne CC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095871884 IF Annotated Mild O=C(Cc1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095871901 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#CC5CCCC5)cc4[C@H]32)c1 ZINC000095871951 IF Annotated Mild CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095871973 IF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095872020 IF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H]1C ZINC000095872022 IF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095872024 IF Annotated Anodyne NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000095872201 IF Annotated Anodyne O=C(Cc1cccnc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095873127 IF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095873128 IF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095873129 IF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095873130 IF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095873131 IF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095873132 IF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095873133 IF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095873134 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO ZINC000095874030 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1 ZINC000095874031 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095874032 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095874033 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1 ZINC000095874034 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO ZINC000095874035 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095874036 IF Annotated Mild CC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C(=O)N(C)C)c3)cc1)[C@@H]2CO ZINC000095874400 IF Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095874401 IF Annotated Anodyne CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095874402 IF Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095874403 IF Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@H]2C1 ZINC000095874404 IF Annotated Anodyne CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095874405 IF Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@H]2C1 ZINC000095874406 IF Annotated Anodyne CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C(=O)N(C)C)c3)cc1)[C@@H]2CO ZINC000095874407 IF Annotated Anodyne C[C@@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CCCCN3[C@H]2CO)cc1 ZINC000095875166 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095875167 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095875168 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095875169 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095875170 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095875171 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CCCCN3[C@H]2CO)cc1 ZINC000095875172 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095875173 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CCCCN3[C@H]2CO)cc1 ZINC000095875174 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CCCCN3[C@H]2CO)cc1 ZINC000095875175 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095875176 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095875177 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095875178 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095875179 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095875180 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095875181 IF Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875190 IF Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875191 IF Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875192 IF Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875193 IF Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875194 IF Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875195 IF Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875196 IF Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875197 IF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000095875252 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H]2CO ZINC000095875253 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095875254 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095875255 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095875256 IF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000095875257 IF Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095875516 IF Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095875517 IF Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875518 IF Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095875519 IF Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095875520 IF Annotated Mild O=C(C1CCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875521 IF Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875522 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095877004 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095877005 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095877006 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095877007 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095877008 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095877009 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095877010 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095877011 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095877012 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095877013 IF Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095877014 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095877015 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095877016 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095877017 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095877018 IF Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095877019 IF Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095877258 IF Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095877259 IF Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095877260 IF Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095877261 IF Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095877262 IF Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095877263 IF Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095877264 IF Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095877265 IF Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877313 IF Annotated Mild OC[C@@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877314 IF Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877315 IF Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877316 IF Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095877317 IF Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095877318 IF Annotated Mild OC[C@@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877319 IF Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877320 IF Annotated Mild Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5cccc(F)c5)cc4[C@@H]32)c1 ZINC000095877686 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5cccc(F)c5)cc4[C@H]32)c1 ZINC000095877687 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5cccc(F)c5)cc4[C@@H]32)c1 ZINC000095877688 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4cccc(F)c4)ccc2N[C@H]3CO)c1 ZINC000095877689 IF Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H]1CO ZINC000095877796 IF Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO ZINC000095877797 IF Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095877925 IF Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@H](CO)N3)cc1 ZINC000095878176 IF Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@@H](CO)N3)cc1 ZINC000095878177 IF Annotated Mild CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@H]1CO ZINC000095878186 IF Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@@H]1CO ZINC000095878187 IF Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@@H]1CO ZINC000095878188 IF Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@H]1CO ZINC000095878189 IF Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878222 IF Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878223 IF Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095878224 IF Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095878225 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccc(F)cc5)cc4[C@@H]32)c1 ZINC000095878289 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccc(F)cc5)cc4[C@@H]32)c1 ZINC000095878290 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(F)cc4)ccc2N[C@H]3CO)c1 ZINC000095878291 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccc(F)cc5)cc4[C@H]32)c1 ZINC000095878292 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@@H]32)c1 ZINC000095878541 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@@H]32)c1 ZINC000095878542 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@H]32)c1 ZINC000095878543 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4F)ccc2N[C@H]3CO)c1 ZINC000095878544 IF Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095878580 IF Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO ZINC000095878581 IF Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095878582 IF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@@H]32)c1 ZINC000095878886 IF Annotated Anodyne C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095878905 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095878906 IF Annotated Anodyne C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095878907 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095878908 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095878909 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095878910 IF Annotated Anodyne C[C@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095878911 IF Annotated Anodyne C[C@@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095878912 IF Annotated Anodyne CC(=O)N1[C@H](C(=O)Nc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095878917 IF Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1ccccc1 ZINC000095878918 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095878954 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095878955 IF Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCCC1 ZINC000095878960 IF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCCC1)[C@@H]2CO ZINC000095878961 IF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879126 IF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879127 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1ccccn1 ZINC000095879172 IF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccn1 ZINC000095879173 IF Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879245 IF Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879246 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccc(F)cc2)c3=O)[C@@H]1CO ZINC000095879265 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2 ZINC000095879266 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1CCC ZINC000095879381 IF Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1CCC ZINC000095879382 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2CCC ZINC000095879385 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC ZINC000095879386 IF Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1CCC ZINC000095879387 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1CCC ZINC000095879388 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2CCC ZINC000095879389 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC ZINC000095879390 IF Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccc1 ZINC000095879411 IF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO ZINC000095879412 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095879419 IF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095879420 IF Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095879423 IF Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095879424 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO ZINC000095879439 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2 ZINC000095879440 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2CCC ZINC000095879445 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC ZINC000095879446 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095879447 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095879448 IF Annotated Anodyne C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095879449 IF Annotated Anodyne C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095879450 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 ZINC000095879451 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 ZINC000095879452 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C)c1ccccc1 ZINC000095879453 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C)c1ccccc1 ZINC000095879454 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095879608 IF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095879609 IF Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095879694 IF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095879695 IF Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccn1 ZINC000095879763 IF Annotated Anodyne CCN1[C@H](C(=O)NCc2ccccn2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095879764 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095879792 IF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095879793 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095879808 IF Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095879809 IF Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccn1 ZINC000095879849 IF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO ZINC000095879850 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1Cc1ccccc1 ZINC000095879857 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1Cc1ccccc1 ZINC000095879858 IF Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1ccccc1 ZINC000095879893 IF Annotated Anodyne CCC(=O)N1[C@H](C(=O)Nc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879894 IF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095879923 IF Annotated Anodyne CCCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095879924 IF Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1ccncc1 ZINC000095879948 IF Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 ZINC000095879949 IF Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095879972 IF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095879973 IF Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095880022 IF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095880023 IF Annotated Anodyne CN1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095880069 IF Annotated Anodyne CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 ZINC000095880070 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2CCC ZINC000095880118 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC ZINC000095880119 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)[C@@H]2N1Cc1ccccc1 ZINC000095880316 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NC3CCC3)[C@H]2N1Cc1ccccc1 ZINC000095880317 IF Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1ccccc1 ZINC000095880515 IF Annotated Anodyne CCN1[C@H](C(=O)Nc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]21 ZINC000095880516 IF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880525 IF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095880526 IF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 ZINC000095880591 IF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CCCC1 ZINC000095880592 IF Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCCC1 ZINC000095880619 IF Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCCCC1 ZINC000095880620 IF Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1 ZINC000095880689 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880734 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2CC1CC1 ZINC000095880735 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 ZINC000095880736 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1ccncc1 ZINC000095880737 IF Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccn1 ZINC000095880750 IF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO ZINC000095880751 IF Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCCc1ccccc1 ZINC000095880819 IF Annotated Anodyne CCN1[C@H](C(=O)NCCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095880820 IF Annotated Anodyne CCCN1[C@H](C(=O)NCC2CC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095880833 IF Annotated Anodyne CCCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CC1 ZINC000095880834 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CCc1ccccc1 ZINC000095880843 IF Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1CCc1ccccc1 ZINC000095880844 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2F)c3=O)[C@@H]1CO ZINC000095880855 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2 ZINC000095880856 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095880954 IF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095880955 IF Annotated Anodyne O=C([C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO)N1CCc2ccccc2C1 ZINC000095880980 IF Annotated Anodyne O=C([C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO)N1CCc2ccccc2C1 ZINC000095880981 IF Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095880982 IF Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095880983 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2)c1ccccc1 ZINC000095880992 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2F)c3=O)[C@@H]1CO)c1ccccc1 ZINC000095880993 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2F)c3=O)[C@@H]1CO)c1ccccc1 ZINC000095880994 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccccc3)[C@@H]2N1C(=O)CC1CC1 ZINC000095881047 IF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)Nc3ccccc3)[C@H]2N1C(=O)CC1CC1 ZINC000095881048 IF Annotated Anodyne CCCN1[C@H](C(=O)NCC(F)(F)F)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095881051 IF Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC(F)(F)F ZINC000095881052 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO)c1ccccc1 ZINC000095881078 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO)c1ccccc1 ZINC000095881079 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2)c1ccccc1 ZINC000095881080 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2)c1ccccc1 ZINC000095881081 IF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCCc1ccccc1)[C@@H]2CO ZINC000095881096 IF Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCc1ccccc1 ZINC000095881097 IF Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095881102 IF Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095881103 IF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1CCC ZINC000095881144 IF Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1CCC ZINC000095881145 IF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO ZINC000095881176 IF Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccc1 ZINC000095881177 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)C1CCCC1 ZINC000095881207 IF Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)C1CCCC1 ZINC000095881208 IF Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1CCC(F)(F)F ZINC000095881221 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1CCC(F)(F)F ZINC000095881222 IF Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)Nc1ccccc1)[C@@H]2CO ZINC000095881227 IF Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1ccccc1 ZINC000095881228 IF Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095881284 IF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095881285 IF Annotated Anodyne CCCN1[C@H](C(=O)NCc2ccccn2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095881314 IF Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccn1 ZINC000095881315 IF Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1ccccc1 ZINC000095881429 IF Annotated Anodyne CC(=O)N1[C@H](C(=O)Nc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095881430 IF Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2 ZINC000095881435 IF Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO ZINC000095881436 IF Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1ccccc1 ZINC000095881446 IF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)Nc1ccccc1)[C@@H]2CO ZINC000095881447 IF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CCC(F)(F)F ZINC000095881448 IF Annotated Anodyne CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1CCC(F)(F)F ZINC000095881449 IF Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CCCCC1 ZINC000095881495 IF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CCCCC1)[C@@H]2CO ZINC000095881496 IF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 ZINC000095881523 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2CC1CCCC1 ZINC000095881524 IF Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CCC(F)(F)F ZINC000095881540 IF Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F ZINC000095881541 IF Annotated Anodyne O=C(NCC1CCCCC1)[C@@H]1N[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095881546 IF Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095881559 IF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095881560 IF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)C1CCCCC1 ZINC000095881853 IF Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)Nc4ccccc4)[C@@H]3N2C)cc1 ZINC000095884555 IF Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)Nc4ccccc4)[C@H]3N2C)cc1 ZINC000095884556 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F)c1ccccc1 ZINC000095884618 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CCC(F)(F)F)c1ccccc1 ZINC000095884619 IF Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F)c1ccccc1 ZINC000095884620 IF Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CCC(F)(F)F)c1ccccc1 ZINC000095884621 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1 ZINC000095884950 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1 ZINC000095884951 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1 ZINC000095884952 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1 ZINC000095884953 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1 ZINC000095884954 IF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1 ZINC000095884955 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1 ZINC000095884956 IF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095885220 IF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095885221 IF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095885222 IF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095885223 IF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095885224 IF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095885225 IF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095885226 IF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886788 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886789 IF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886790 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886791 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886792 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886793 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886794 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886795 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCc2ccccc2)O1)NCc1ccccc1 ZINC000095886895 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCc2ccccc2)O1)NCc1ccccc1 ZINC000095886896 IF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCc2ccccc2)O1)NCc1ccccc1 ZINC000095886897 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCc2ccccc2)O1)NCc1ccccc1 ZINC000095886898 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCc2ccccc2)O1)NCc1ccccc1 ZINC000095886899 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCCC1 ZINC000095886900 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCCC1 ZINC000095886901 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCCC1 ZINC000095886902 IF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCCC1 ZINC000095886903 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCCC1 ZINC000095886904 IF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCCC1 ZINC000095886905 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCCC1 ZINC000095886906 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCCC1 ZINC000095886907 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1 ZINC000095887892 IF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1 ZINC000095887893 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1 ZINC000095887894 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1 ZINC000095887895 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1 ZINC000095887896 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1 ZINC000095887897 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1 ZINC000095887898 IF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888043 IF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888044 IF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888045 IF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888046 IF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888047 IF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888048 IF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888049 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)CCC)cc3C(=O)N2C)O1 ZINC000095888228 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)CCC)cc3C(=O)N2C)O1 ZINC000095888229 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)CCC)cc3C(=O)N2C)O1 ZINC000095888230 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)CCC)cc3C(=O)N2C)O1 ZINC000095888231 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)CCC)cc3C(=O)N2C)O1 ZINC000095888232 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)CCC)cc3C(=O)N2C)O1 ZINC000095888233 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)CCC)cc3C(=O)N2C)O1 ZINC000095888234 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCCCC3)O[C@H]1CO2 ZINC000095888434 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCCCC3)O[C@@H]1CO2 ZINC000095888435 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCCCC3)O[C@H]1CO2 ZINC000095888436 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCCCC3)O[C@@H]1CO2 ZINC000095888437 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCCCC3)O[C@@H]1CO2 ZINC000095888438 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCCCC3)O[C@@H]1CO2 ZINC000095888439 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCCCC3)O[C@H]1CO2 ZINC000095888440 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCCCC3)O[C@H]1CO2 ZINC000095888441 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095888450 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095888451 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095888452 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095888453 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095888454 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095888455 IF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095888456 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888978 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888979 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888980 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888981 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888982 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888983 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888984 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889029 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889030 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889031 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889032 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889033 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889034 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889035 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889036 IF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095889062 IF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095889063 IF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095889064 IF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095889065 IF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095889066 IF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095889067 IF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095889517 IF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095889518 IF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095889519 IF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095889520 IF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095889521 IF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095889522 IF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095889523 IF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095889524 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891685 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891686 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891687 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891688 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891689 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891690 IF Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095891851 IF Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095891852 IF Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095891853 IF Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095891854 IF Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095891855 IF Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095891856 IF Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095891857 IF Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095891858 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891947 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891948 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891949 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891950 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891951 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095891952 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095891953 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891954 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095892167 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095892168 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095892169 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095892170 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095892171 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095892172 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095892173 IF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095892174 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095892368 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095892369 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095892370 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095892371 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095892372 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095892373 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095892374 IF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095892375 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095892377 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095892378 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095892379 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095892380 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095892381 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095892382 IF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095892383 IF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095892384 IF Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095893382 IF Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095893383 IF Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095893384 IF Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095893385 IF Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893410 IF Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893411 IF Annotated Anodyne O=C(C1CCCC1)N1[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893470 IF Annotated Anodyne O=C(C1CCCC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000095893471 IF Annotated Anodyne O=C(C1CCCC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095893472 IF Annotated Anodyne O=C(C1CCCC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095893473 IF Annotated Anodyne O=C(C1CCCC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095893543 IF Annotated Anodyne O=C(C1CCCC1)N1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893544 IF Annotated Anodyne O=C(C1CCCC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095893545 IF Annotated Anodyne O=C(C1CCCC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000095893546 IF Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893567 IF Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893568 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2cccnc2)c1 ZINC000095893840 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2cccnc2)c1 ZINC000095893841 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2cccnc2)c1 ZINC000095893842 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)CC2CC2)c1 ZINC000095893922 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2ccccn2)c1 ZINC000095893942 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2ccccn2)c1 ZINC000095893943 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccccn2)c1 ZINC000095893944 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)CC2CC2)c1 ZINC000095893963 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)CC2CC2)c1 ZINC000095893965 IF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095893991 IF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095893992 IF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095893993 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(=O)CC2CC2)c1 ZINC000095894005 IF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095894009 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095894351 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095894352 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095894353 IF Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095894354 IF Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894374 IF Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894375 IF Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894376 IF Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894377 IF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)Cc2ccccn2)cc1 ZINC000095894507 IF Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(=O)Cc2ccccn2)cc1 ZINC000095894508 IF Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)Cc2ccccn2)cc1 ZINC000095894509 IF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)Cc2ccccn2)cc1 ZINC000095894510 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3CC2CCOCC2)c1 ZINC000095894556 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3CC2CCOCC2)c1 ZINC000095894557 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3CC2CCOCC2)c1 ZINC000095894558 IF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3CC2CCOCC2)c1 ZINC000095894559 IF Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894633 IF Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894634 IF Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894635 IF Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894636 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2cccnc2)cc1 ZINC000095894701 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2cccnc2)cc1 ZINC000095894702 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3Cc2cccnc2)cc1 ZINC000095894703 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2cccnc2)cc1 ZINC000095894704 IF Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894737 IF Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894738 IF Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894739 IF Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894740 IF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1cccnc1 ZINC000095894749 IF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1cccnc1 ZINC000095894750 IF Annotated Anodyne COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1cccnc1 ZINC000095894751 IF Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F ZINC000095894769 IF Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F ZINC000095894770 IF Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F ZINC000095894771 IF Annotated Anodyne COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCOCC4)[C@H]3CO)cc2)c1 ZINC000095897501 IF Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCOCC4)[C@H]3C#N)cc2)c1 ZINC000095897502 IF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCOCC4)[C@H]3CO)cc2)cc1 ZINC000095897557 IF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCOCC4)[C@H]3CO)cc2)cc1 ZINC000095897558 IF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCOCC4)[C@H]3C#N)cc2)cc1 ZINC000095897559 IF Annotated Mild CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899281 IF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899282 IF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899283 IF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899284 IF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899285 IF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899286 IF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899287 IF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899288 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899346 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899347 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899348 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899349 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899350 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899351 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899352 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899353 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899376 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899377 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899378 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899379 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@H]1O2 ZINC000095899380 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095899381 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@H]1O2 ZINC000095899382 IF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2)C1CCC1 ZINC000095899494 IF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2)C1CCC1 ZINC000095899495 IF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2)C1CCC1 ZINC000095899496 IF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2)C1CCC1 ZINC000095899497 IF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)C1CCC1 ZINC000095899498 IF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2)C1CCC1 ZINC000095899499 IF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)C1CCC1 ZINC000095899500 IF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2)C1CCC1 ZINC000095899501 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899951 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899952 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899953 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899954 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899955 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899956 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899957 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899958 IF Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899988 IF Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899989 IF Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899990 IF Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899991 IF Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899992 IF Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899993 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900485 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900486 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095900487 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900488 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095900489 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900714 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900715 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900716 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900717 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900718 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900719 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900720 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900721 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900782 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900783 IF Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900784 IF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900888 IF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900889 IF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900890 IF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900891 IF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900892 IF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900893 IF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900894 IF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900895 IF Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3cc(F)ccc3F)O[C@@H](CO)[C@H]1O2 ZINC000095901429 IF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cc(F)ccc3F)O[C@H](CO)[C@@H]1O2 ZINC000095901430 IF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cc(F)ccc3F)O[C@@H](CO)[C@@H]1O2 ZINC000095901431 IF Annotated Clean COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)O)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095901572 IF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)O)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095901573 IF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)O)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095901574 IF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)O)O[C@H](CO)[C@H]2O3)cc1 ZINC000095901575 IF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095902177 IF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095902178 IF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095902179 IF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095902180 IF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095902181 IF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095902182 IF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095902183 IF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095902184 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095903023 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095903024 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095903025 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095903026 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095903027 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095903028 IF Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095903029 IF Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095903030 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C4CCCC4)nn3)O[C@@H]2CO)cc1 ZINC000095903184 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C4CCCC4)nn3)O[C@H]2CO)cc1 ZINC000095903187 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C4CCCC4)nn3)O[C@@H]2CO)cc1 ZINC000095903190 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C4CCCC4)nn3)O[C@H]2CO)cc1 ZINC000095903191 IF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C4CCCC4)nn3)O[C@@H]2CO)cc1 ZINC000095903194 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095904196 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095904197 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095904198 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095904199 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095904200 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095904201 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095904202 IF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095904203 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904666 IF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904667 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904668 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904669 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904670 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904671 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904672 IF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904673 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095905048 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095905049 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095905050 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095905051 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095905052 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095905053 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095905054 IF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095905055 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906270 IF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906271 IF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906272 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906273 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906274 IF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906275 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906276 IF Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095906459 IF Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095906460 IF Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095906461 IF Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095906462 IF Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095906463 IF Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095906464 IF Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095906465 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906665 IF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906666 IF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906667 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906668 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906669 IF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906670 IF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906671 IF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906672 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906766 IF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906767 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906768 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906769 IF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906770 IF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906771 IF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906772 IF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095906773 IF Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095907118 IF Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095907119 IF Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095907120 IF Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095907121 IF Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095907122 IF Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095907123 IF Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095907124 IF Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095907125 IF Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCNC(=O)c3ccccc3F)O[C@H]2CO)cc1 ZINC000095907349 IF Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCNC(=O)c3ccccc3F)O[C@@H]2CO)cc1 ZINC000095907350 IF Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCNC(=O)c3ccccc3F)O[C@H]2CO)cc1 ZINC000095907351 IF Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCNC(=O)c3ccccc3F)O[C@@H]2CO)cc1 ZINC000095907352 IF Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCNC(=O)c3ccccc3F)O[C@@H]2CO)cc1 ZINC000095907353 IF Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCNC(=O)c3ccccc3F)O[C@H]2CO)cc1 ZINC000095907354 IF Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCNC(=O)c3ccccc3F)O[C@H]2CO)cc1 ZINC000095907355 IF Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCNC(=O)c3ccccc3F)O[C@@H]2CO)cc1 ZINC000095907356 IF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907517 IF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907518 IF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907519 IF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907520 IF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907521 IF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907522 IF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907523 IF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907524 IF Annotated Anodyne CC(=O)OC[C@H]1[C@H](c2ccc(O)c(O)c2)O[C@H](c2ccc(O)c(O)c2)[C@H]1COC(C)=O ZINC000095909802 IF Annotated Clean in-vitro biogenic O=C1C=CC[C@H]([C@H](O)[C@@H](O[C@@H]2[C@@H](c3ccccc3)O[C@H]3C=CC(=O)O[C@H]32)c2ccccc2)O1 ZINC000095911779 IF Annotated Anodyne in-vitro biogenic C/C(C=O)=C\CC/C(C)=C/COc1ccc([C@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1 ZINC000095912063 IF Annotated Reactive in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](OC(C)=O)[C@@H]4C(C)(C)CCC5=O)[C@]3(C2)[C@@H]1OC(C)=O ZINC000095913437 IF Annotated Mild in-vitro biogenic C[C@@H]1C[C@@]23CC[C@@H]4C(C)(C)[C@H](O[C@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]2CC(=O)[C@@H]1C3 ZINC000095914044 IF Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000095914742 IF Annotated Mild in-vitro biogenic C/C(=C\CC/C(C)=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1O)CO ZINC000095914986 IF Annotated Anodyne in-vitro biogenic C/C(=C/CC/C(C)=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1O)CO ZINC000095914992 IF Annotated Anodyne in-vitro biogenic CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1CC[C@H]1C[C@H]3C[C@]12CC[C@]3(C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000095918752 IF Annotated Anodyne in-vitro biogenic CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1CC[C@H]1C[C@H]3C[C@]12CC[C@]3(C)O[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000095918753 IF Annotated Anodyne in-vitro biogenic C=C(C)[C@@H](O)CC[C@@]1(C)[C@@H](O)C=C(CO)C(=O)/C(=C/C(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000095919359 IF Annotated Mild in-vitro biogenic CC(=O)O[C@H]1CC(C)(C)C2=C(O)C(=O)C3=C(C(=O)[C@H](OC(C)=O)[C@@]4(C[C@@H]4C)C3=O)[C@@]2(C)C1 ZINC000095919422 IF Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1CC2=C(C(=O)C(O)=C3C(=O)[C@]4(C[C@@H]4C)[C@@H](OC(C)=O)C(=O)[C@@]23C)C(C)(C)C1 ZINC000095919423 IF Annotated Mild in-vitro biogenic COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52COC(C)=O)[C@]63O)CC[C@@H]41 ZINC000095919476 IF Annotated Anodyne in-vitro biogenic CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](C(=O)NC(C)(C)C)c1ccccc1 ZINC000095920979 IF Annotated Anodyne CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3C[C@H]4CCN[C@H]4C3)c12 ZINC000095921171 IF Annotated Anodyne CCCCNC(=O)[C@@H](NC(=O)N(C)Cc1ccc2c(c1C(=O)O)OCO2)c1ccccc1 ZINC000095921225 IF Annotated Anodyne CCN(CC)C1CCN(Cc2cc(C#CCO)cc(I)c2O)CC1 ZINC000095921234 IF Annotated Mild CC(C)C[C@@H](CO)N1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O ZINC000096019384 IF Annotated Anodyne COC(=O)[C@H](C(C)C)N1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O ZINC000096019979 IF Annotated Anodyne C=CCN1[C@@H](CC(C)C)COc2cccc(NCCCN3CCOCC3)c2S1(=O)=O ZINC000096021166 IF Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C)(C)C=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]2C[C@H]3OC(=O)C(C)=C3[C@H]3O[C@@]123 ZINC000096085460 IF Annotated Anodyne in-vitro COC/C=C1\C[N+]2([O-])[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@H]3[C@H]1C[C@@H]52 ZINC000096085802 IF Annotated Bother C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(N)=O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2 ZINC000096085961 IF Annotated Mild in-vitro C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1[C@@H](O)C3 ZINC000096085972 IF Annotated Mild in-vitro O=C1N(c2ccc(OCC(F)(F)F)cc2)C[C@@H]2C[C@@](O)(COCC(F)(F)F)CN12 ZINC000096168562 IF Annotated Anodyne C/C(=N\NC(=O)c1cccnc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 ZINC000096169188 IF Annotated Reactive CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(Nc1nc(N)nc(Cl)n1)=NC2 ZINC000096172408 IF Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1nc(N)nc(Cl)n1)=NC2 ZINC000096172409 IF Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1nc(N)nc(Cl)n1)=NC2 ZINC000096172410 IF Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@H]1c1ccccc1)C(Nc1nc(N)nc(Cl)n1)=NC2 ZINC000096172411 IF Annotated Anodyne Cn1cnc2c(NC3=NCC4=C3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc21 ZINC000096172469 IF Annotated Anodyne O=C1[C@@H](Cc2c[nH]c3ccccc23)NCCC12CCN(c1nccc(-n3cccn3)n1)CC2 ZINC000096173214 IF Annotated Anodyne O=C1[C@H](Cc2c[nH]c3ccccc23)NCCC12CCN(c1nccc(-n3cccn3)n1)CC2 ZINC000096173215 IF Annotated Anodyne CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C(C)(C)[S@](C)(=N)=O)n1 ZINC000096174412 IF Annotated Anodyne NC(=O)CN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1 ZINC000096175059 IF Annotated Anodyne CC(C)n1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc1C(=O)N1CCOCC1 ZINC000096175981 IF Annotated Anodyne O=C(NCC#Cc1ccc2ncccc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O ZINC000096176186 IF Annotated Mild O=C(NCC#Cc1ccc2ncc(O)cc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O ZINC000096176192 IF Annotated Mild CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccsc4)c3=O)cc12 ZINC000096176283 IF Annotated Mild Cc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176323 IF Annotated Mild C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177668 IF Annotated Anodyne C[C@H]1CN(c2ccncc2CC(=O)c2cccc(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177669 IF Annotated Anodyne CCCCNS(=O)(=O)[C@@H](Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000096258554 IF Annotated Anodyne CCCCNS(=O)(=O)[C@H](Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000096258556 IF Annotated Anodyne CC(C)(C)NS(=O)(=O)[C@@H](Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000096258557 IF Annotated Anodyne CC(C)(C)NS(=O)(=O)[C@H](Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000096258559 IF Annotated Anodyne COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2 ZINC000096269605 IF Annotated Anodyne CC(C)c1nc(N2[C@H]3CC[C@@H]2CN(c2ncc(OCc4ccncc4C#N)cn2)C3)no1 ZINC000096269995 IF Annotated Mild COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C(C)C)C2=O)cc(OC)c1 ZINC000096273443 IF Annotated Anodyne CC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)cc2)cn1 ZINC000096283096 IF Annotated Anodyne COc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1 ZINC000096284053 IF Annotated Anodyne O=C(c1ccc(C(=O)N2CCC([C@@H]3CCCN3)CC2)cc1)N1CCC([C@@H]2CCCN2)CC1 ZINC000096284335 IF Annotated Anodyne O=C(c1ccc(C(=O)N2CCC([C@H]3CCCN3)CC2)cc1)N1CCC([C@@H]2CCCN2)CC1 ZINC000096284336 IF Annotated Anodyne O=C(c1ccc(C(=O)N2CCC([C@H]3CCCN3)CC2)cc1)N1CCC([C@H]2CCCN2)CC1 ZINC000096284337 IF Annotated Anodyne O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC([C@@H]2CCCN2)CC1 ZINC000096284362 IF Annotated Anodyne O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC([C@H]2CCCN2)CC1 ZINC000096284363 IF Annotated Anodyne O[C@](CN1CCN(Cc2ccc(Cl)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000096902335 IF Annotated Anodyne O[C@@](CN1CCN(Cc2ccc(Cl)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000096902336 IF Annotated Anodyne C[C@H]1CCCCCCCCC(=O)O[C@@H]2C[C@@H](O)[C@@H](O[C@H]2C)O[C@@H]2C[C@@H](O)[C@H](C)O[C@H]2O1 ZINC000096903158 IF Annotated Anodyne C[C@@H]1O[C@H]2O[C@@H]3C[C@@H](O)[C@H](C)O[C@H]3O[C@H](C)CCCCCCCCC(=O)O[C@@H]2C[C@H]1O ZINC000096903682 IF Annotated Anodyne C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@@H]1C[C@H]3O ZINC000096903759 IF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(COC(C)=O)CC/C=C(\C)[C@@H](O)C/C=C(\C)[C@H]2OC(C)=O ZINC000096903852 IF Annotated Mild CCN(C/C=C/CF)CCNC(=O)c1cnc2cc(I)ccc2n1 ZINC000096905510 IF Annotated Anodyne CCN(CCCF)CCNC(=O)c1cnc2cc(I)ccc2n1 ZINC000096905511 IF Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cc(F)cnc12 ZINC000096906473 IF Annotated Anodyne CCO/N=C(\C)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1 ZINC000096907358 IF Annotated Mild Cn1cc(-c2cnc3oc4c(-c5ccn(C)n5)nc(=O)n(CC[C@@H]5CCCO5)c4c3c2)cn1 ZINC000096907421 IF Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5ccn(C)n5)nc(=O)n(CC[C@H]5CCCO5)c4c3c2)cn1 ZINC000096907422 IF Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5cnn(C)c5)nc(=O)n(CC[C@@H]5CCCO5)c4c3c2)cn1 ZINC000096907425 IF Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5cnn(C)c5)nc(=O)n(CC[C@H]5CCCO5)c4c3c2)cn1 ZINC000096907426 IF Annotated Anodyne O=C(CSc1nnc(NC(=O)CCCl)s1)Nc1ccc(Br)cn1 ZINC000096908516 IF Annotated Reactive O=C1Nc2cccc(Br)c2/C1=N/NC(=S)N1CCN(c2ccccc2)CC1 ZINC000096908826 IF Annotated Mild O=C1Nc2ccc(Cl)cc2/C1=N/NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096908840 IF Annotated Mild CC1(C)OC(=O)c2c1ccn(-c1ccc(S(=O)(=O)/N=C(\O)c3ccccc3)cc1)c2=O ZINC000096909497 IF Annotated Mild CC(C)(C)OC(=O)N1CCN(c2nc(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3s2)CC1 ZINC000096910462 IF Annotated Bother CC(=O)N1CCN(C(=O)c2ccc3nc(C)c(N(C)C(=O)CCc4ccccc4)n3c2)CC1 ZINC000096913732 IF Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)Nc2n[nH]c3c2CCN(c2ccc(C)cc2)C3=O)c1 ZINC000096916148 IF Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2n[nH]c3c2CCN(CC2CCNCC2)C3=O)cc1 ZINC000096916178 IF Annotated Anodyne N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(I)c(O)cc41)[C@@H]32 ZINC000096916989 IF Annotated Mild Cc1c(/C=N/N2CCN(C)CC2)c2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096921215 IF Annotated Mild CCC[C@H](NC)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000096921267 IF Annotated Anodyne COc1cc(-c2c(C(=O)c3ccc(F)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc(OC)c1OC ZINC000096921755 IF Annotated Anodyne C[C@]1(c2nc(NC(=O)c3nn(C(F)F)cc3Cl)ccc2F)N=C(N)OCC1(F)F ZINC000096923948 IF Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@H](OC(C)=O)C(=O)[C@]4(C)[C@@H]5CC[C@]4(OC5=O)[C@@H]3CC[C@@H]2C1 ZINC000096927209 IF Annotated Anodyne COc1ccc(-n2nc(CCC(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)nn1 ZINC000096928100 IF Annotated Anodyne COc1cc(-c2nc3sc4c(c3c(=O)n2C(=O)NO)CCCC4)cc(OC)c1OC ZINC000096928922 IF Annotated Anodyne CO[C@H]1O[C@H]2O[C@]3(CC[C@@]2(O)[C@@H]1O)[C@H](C)C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]13C ZINC000096932721 IF Annotated Anodyne CO[C@@H]1O[C@@H]2O[C@]3(CC[C@@]2(O)[C@@H]1O)[C@H](C)C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]13C ZINC000096932722 IF Annotated Anodyne NCCNCCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000096932825 IF Annotated Bother CCCCOc1nc(N)c2c(n1)N(Cc1ccc(CCCN3CCCC3)nc1)CC(=O)N2 ZINC000096934201 IF Annotated Anodyne N#CC1=C(N2C(=O)C(=O)N(c3ccccc3)C2=O)N(c2ccccc2)C(=O)N2CCC[C@@H]12 ZINC000096935417 IF Annotated Reactive N#CC1=C(N2C(=O)C(=O)N(c3ccccc3)C2=O)N(c2ccccc2)C(=O)N2CCC[C@H]12 ZINC000096935418 IF Annotated Reactive C=C1[C@@H](O)C[C@@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](OC(C)=O)CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000096937429 IF Annotated Mild O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccc(I)cn12 ZINC000096939353 IF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)cn3c2[N+](=O)[O-])cc1 ZINC000096939371 IF Annotated Bother O=C(NC1CCNCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096939887 IF Annotated Bother CCCC(=O)NCCCn1c(C(C)(C)C)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000096940403 IF Annotated Anodyne N#CC1=CC[C@@H]([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@H]3N2CCC3(F)F)C=C1 ZINC000096940499 IF Annotated Reactive N#CC1=CC[C@@H]([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3N2CCC3(F)F)C=C1 ZINC000096940500 IF Annotated Reactive N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3N2CCC3(F)F)cc1 ZINC000096941602 IF Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3CC(F)(F)CN23)cc1 ZINC000096941610 IF Annotated Anodyne N=C(N)c1cc(F)c([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)c(F)c1 ZINC000096941631 IF Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)c(F)c1F ZINC000096941632 IF Annotated Anodyne COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)Cn1nnn(-c2ccc(C(F)(F)F)cc2)c1=O ZINC000098082578 IF Annotated Bother NC(=O)c1nc(N2CCOCC2)nc(N(Cc2ccc(Cl)cc2)C2CCCCC2)n1 ZINC000098209519 IF Annotated Anodyne