COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 ZINC000001026821 JI Annotated Mild Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000001059508 JI Annotated Anodyne CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000001079134 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000001461112 JI Annotated Mild CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001477349 JI Annotated Anodyne CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(Br)s2)CC1 ZINC000001487237 JI Annotated Anodyne CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Br)c(Br)c2)CC1 ZINC000001487241 JI Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000001491465 JI Annotated Anodyne Cc1ccc(N2CCN(c3cc4c(ncc5c4c(=O)c(C(=O)O)cn5C)c(F)c3Cl)CC2)cc1F ZINC000001493761 JI Annotated Bother O=C(NO)[C@@H](CCn1nnc2ccccc2c1=O)CSc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000001494448 JI Annotated Anodyne COc1c(C)c(O)c(C[C@]2(C)C(O)=C(C)C(=O)C(C(=O)C(C)C)=C2O)c(O)c1C(=O)C(C)C ZINC000100003312 JI Annotated Mild in-vitro biogenic N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc([C@]4(O)C[C@@H]5CO[C@@H](C4)O5)n3)cc2n1 ZINC000100014542 JI Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc([C@@]4(O)C[C@@H]5CO[C@@H](C4)O5)n3)cc2n1 ZINC000100014544 JI Annotated Mild N#Cc1cc2cc(OCc3cccc([C@]4(O)C[C@@H]5CO[C@@H](C4)O5)n3)ccc2c(-c2ccoc2)n1 ZINC000100014572 JI Annotated Mild N#Cc1cc2cc(OCc3cccc([C@@]4(O)C[C@@H]5CO[C@@H](C4)O5)n3)ccc2c(-c2ccoc2)n1 ZINC000100014574 JI Annotated Mild CCOC(OCC)C(=O)NC1CCN(C[C@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000100021794 JI Annotated Anodyne CCOC(OCC)C(=O)NC1CCN(C[C@@]23C[C@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000100021795 JI Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(C(=N)N)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066293 JI Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(C(=N)N)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066295 JI Annotated Anodyne OC1C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@]3(Cl)C1(Cl)[C@@]5(Cl)[C@@]24Cl ZINC000100066602 JI Annotated Anodyne in-man OC1C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]24Cl ZINC000100066606 JI Annotated Anodyne in-man endogenous OC1C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@]3(Cl)C1(Cl)[C@]5(Cl)[C@@]24Cl ZINC000100066610 JI Annotated Anodyne in-man CNc1ccc(/C=C/c2cnc(OCCOCCOCCF)c([125I])c2)cc1 ZINC000100067266 JI Annotated Anodyne CN(C)c1ccc(/C=C/c2cnc(OCCOCCOCCF)c([125I])c2)cc1 ZINC000100067270 JI Annotated Clean C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@]12C ZINC000100067459 JI Annotated Mild in-vitro C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@]12C ZINC000100067463 JI Annotated Mild in-vitro C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]12C ZINC000100067468 JI Annotated Mild in-vitro C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]12C ZINC000100067471 JI Annotated Mild in-vitro COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4c3ccoc3)[C@]1(C)C2=O ZINC000100067673 JI Annotated Anodyne in-vitro COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000100067675 JI Annotated Anodyne in-vitro CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c([C@@]2(O)CC[C@H](O)CC2)cn(O)c1=O ZINC000100069308 JI Annotated Mild in-vitro COc1ccc([C@@H]2C/C=C/C[C@@H](C)Oc3ccccc3C(=O)N(C)[C@@H](C)C(=O)N2)c(OC)c1 ZINC000100083638 JI Annotated Anodyne COc1ccc([C@H]2C/C=C/C[C@H](C)Oc3ccccc3C(=O)N(C)[C@H](C)C(=O)N2)c(OC)c1 ZINC000100085182 JI Annotated Anodyne COc1ccc([C@H]2C/C=C/C[C@@H](C)Oc3ccccc3C(=O)N(C)[C@H](C)C(=O)N2)c(OC)c1 ZINC000100086102 JI Annotated Anodyne COc1ccc([C@H]2C/C=C/C[C@H](C)Oc3ccccc3C(=O)N(C)[C@@H](C)C(=O)N2)c(OC)c1 ZINC000100086454 JI Annotated Anodyne COc1ccc([C@@H]2C/C=C/C[C@H](C)Oc3ccccc3C(=O)N(C)[C@@H](C)C(=O)N2)c(OC)c1 ZINC000100087863 JI Annotated Anodyne Cc1cc(O)cc2c1[C@H]1O[C@@](C)(Cc3cc4c(c(O)c31)C(=O)c1c(O)cc(O)cc1C4(C)C)O2 ZINC000100088142 JI Annotated Anodyne in-vitro Cc1cc(O)cc2c1[C@@H]1O[C@](C)(Cc3cc4c(c(O)c31)C(=O)c1c(O)cc(O)cc1C4(C)C)O2 ZINC000100088151 JI Annotated Anodyne in-vitro COc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000100088703 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccc(Cl)c5)C[C@@H]3N4)cc2)c1 ZINC000100088816 JI Annotated Anodyne O=C(NCc1ccccc1Cl)c1ccc(CNc2c(NC3CCCCC3)c(=O)c2=O)cc1 ZINC000100089822 JI Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000100092241 JI Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)[C@@H]2N1CC ZINC000100094587 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3cc(F)ccc3F)cc2)cc1 ZINC000100098026 JI Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)[C@H]2N1CC ZINC000100098921 JI Annotated Anodyne O=C(Nc1ccc(-c2ccc(Cl)c(Cl)c2)nc1)C1=C(O)c2ccccc2S(=O)(=O)N1 ZINC000100100873 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3F)cc2)cc1 ZINC000100101383 JI Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cccc(Cl)c3)cc2)c1 ZINC000100101626 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cccc(Cl)c3)cc2)c1 ZINC000100101629 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3cc(F)ccc3F)cc2)c1 ZINC000100101801 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3cc(F)ccc3F)cc2)c1 ZINC000100101803 JI Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1 ZINC000100101806 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000100102406 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)Cn2nnc3ccccc32)[C@@H]1c1ccccc1 ZINC000100102622 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCSCC2)[C@@H]1c1ccccc1 ZINC000100102814 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3F)cc2)c1 ZINC000100102976 JI Annotated Anodyne COc1ccc(OC)c2c1NC(=O)/C2=C/c1cccc(/C=C2/C(=O)Nc3c(OC)ccc(OC)c32)n1 ZINC000100103589 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5ccccc5F)C[C@@H]3N4)cc2)c1 ZINC000100106645 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccccc5F)C[C@@H]3N4)cc2)c1 ZINC000100106648 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3F)cc2)c1 ZINC000100106861 JI Annotated Anodyne COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)cc1 ZINC000100107001 JI Annotated Anodyne COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)cc1 ZINC000100107038 JI Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000100108558 JI Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000100108564 JI Annotated Anodyne COCCNC1=NC(CC(=O)/C=C/c2ccc(O)c(OC)c2)=C[C@H](c2ccc(O)c(OC)c2)S1 ZINC000100115887 JI Annotated Mild COCCNC1=NC(CC(=O)/C=C/c2ccc(O)c(OC)c2)=C[C@@H](c2ccc(O)c(OC)c2)S1 ZINC000100115890 JI Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC)[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000100139201 JI Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)N(CC)[C@@H]21 ZINC000100139203 JI Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)N(C(=O)CC)[C@@H]21 ZINC000100141183 JI Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000100141187 JI Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)[C@H]2N1C(=O)CC ZINC000100143105 JI Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)[C@@H]2N1C(=O)CC ZINC000100143108 JI Annotated Anodyne CCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000100250690 JI Annotated Anodyne CCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000100250695 JI Annotated Anodyne CCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000100250697 JI Annotated Anodyne CCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000100250699 JI Annotated Anodyne O=C(OC[C@@H]1[C@H]2c3ccccc3O[C@@]1(CO)N=C1SCc3ccccc3CN12)c1ccccc1 ZINC000100264278 JI Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(c4nc(C)c(C)s4)[C@@H]3c3ccco3)oc12 ZINC000100272156 JI Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(c4nc(C)c(C)s4)[C@H]3c3ccco3)oc12 ZINC000100272159 JI Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(c4nc(C)c(C)s4)[C@@H]3c3ccco3)oc12 ZINC000100272163 JI Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(c4nc(C)c(C)s4)[C@H]3c3ccco3)oc12 ZINC000100272167 JI Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000100281362 JI Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000100281365 JI Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000100281367 JI Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000100281370 JI Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)oc12 ZINC000100284798 JI Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)oc12 ZINC000100284802 JI Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccnc3)oc12 ZINC000100284805 JI Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccnc3)oc12 ZINC000100284809 JI Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000100286635 JI Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000100286640 JI Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000100286643 JI Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000100286647 JI Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1cccs1 ZINC000100286691 JI Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1cccs1 ZINC000100286696 JI Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Br)cc2)[C@H]1C(=O)c1cccs1 ZINC000100286699 JI Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Br)cc2)[C@H]1C(=O)c1cccs1 ZINC000100286701 JI Annotated Anodyne CSc1ccc([C@H]2[C@@H](C(=O)c3sc(C)nc3C)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000100287519 JI Annotated Anodyne CSc1ccc([C@H]2[C@H](C(=O)c3sc(C)nc3C)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000100287522 JI Annotated Anodyne CSc1ccc([C@@H]2[C@@H](C(=O)c3sc(C)nc3C)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000100287525 JI Annotated Anodyne CSc1ccc([C@@H]2[C@H](C(=O)c3sc(C)nc3C)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000100287527 JI Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000100288829 JI Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000100288835 JI Annotated Anodyne COc1ccc(/C=C/C(=O)[C@@H]2C(=O)N[C@]34CCCC[C@@H]3[C@H]2c2ccccc2O4)c(OC)c1OC ZINC000100289177 JI Annotated Mild COc1ccc(/C=C/C(=O)[C@H]2C(=O)N[C@]34CCCC[C@@H]3[C@@H]2c2ccccc2O4)c(OC)c1OC ZINC000100289179 JI Annotated Mild COc1ccc(/C=C/C(=O)[C@@H]2C(=O)N[C@]34CCCC[C@@H]3[C@@H]2c2ccccc2O4)c(OC)c1OC ZINC000100289181 JI Annotated Mild CC[C@H](O)[C@@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@]1(C)/C(O)=C1\C(=O)CNC1=O ZINC000100303440 JI Annotated Mild in-vitro CC[C@@H](O)[C@@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@]1(C)/C(O)=C1\C(=O)CNC1=O ZINC000100303443 JI Annotated Mild in-vitro CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@]1(C)/C(O)=C1\C(=O)CNC1=O ZINC000100303447 JI Annotated Mild in-vitro CC[C@@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@]1(C)/C(O)=C1\C(=O)CNC1=O ZINC000100303451 JI Annotated Mild in-vitro CC[C@H]1[C@@H](C)C[C@@H]2[C@@H]1C=C[C@H]1[C@H]3C/C=C/C(=O)NCCC[C@H]4NC(=O)/C(=C(O)/C=C/[C@@H]3C[C@H]21)C4=O ZINC000100305561 JI Annotated Mild in-vitro CCC/C=C/C[C@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C[C@H](O)[C@H](O)/C=C/C=C/C=C/C(=O)N1 ZINC000100306000 JI Annotated Anodyne in-vitro CCC/C=C/C[C@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)C[C@H](O)[C@H](O)/C=C/C=C/C=C/C(=O)N1 ZINC000100306002 JI Annotated Anodyne in-vitro CC(C)=CCC/C(C)=C/C[C@]12O[C@]1(CC=C(C)C)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O ZINC000100308585 JI Annotated Mild in-vitro CC(C)=CCC/C(C)=C\C[C@]12O[C@]1(CC=C(C)C)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O ZINC000100308589 JI Annotated Mild in-vitro Cn1ccc2ccc3c4[nH]c5c(CCN[C@@H]6CC[C@@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000100373860 JI Annotated Bother CS(=O)(=O)Nc1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1 ZINC000100417919 JI Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](CC3(C(N)=O)CC3)CC2)cc1)C(F)(F)F ZINC000100418259 JI Annotated Anodyne CCN1CCN(c2cc3[nH]c(S[C@@]4(C)CC[C@H](C(=O)NC)CC4)nc3cc2Cl)CC1 ZINC000100423430 JI Annotated Anodyne Cc1cc(NC(=O)C2=CC3=N[C@H](c4ccc(Cl)c(Cl)c4)C[C@H](C(F)(F)F)N3N2)no1 ZINC000100445299 JI Annotated Anodyne Cc1cc(NC(=O)C2=CC3=N[C@@H](c4ccc(Cl)c(Cl)c4)C[C@H](C(F)(F)F)N3N2)no1 ZINC000100445301 JI Annotated Anodyne Cc1cc(NC(=O)C2=CC3=N[C@H](c4ccc(Cl)c(Cl)c4)C[C@@H](C(F)(F)F)N3N2)no1 ZINC000100445305 JI Annotated Anodyne Cc1cc(NC(=O)C2=CC3=N[C@@H](c4ccc(Cl)c(Cl)c4)C[C@@H](C(F)(F)F)N3N2)no1 ZINC000100445308 JI Annotated Anodyne CCOC1=CC(Br)=C(Br)/C(=C/Nc2ccc(NC(C)=O)cc2)C1=O ZINC000100486563 JI Annotated Mild CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC(C)C)c2c(c1=O)CCCC2 ZINC000100490586 JI Annotated Anodyne CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100490746 JI Annotated Anodyne CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100490752 JI Annotated Anodyne CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100490758 JI Annotated Anodyne CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100490761 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)CC1 ZINC000100492394 JI Annotated Anodyne Cc1c(O)n(-c2ccc(F)cc2)c(SCC(=O)Nc2ccc3c4c(cccc24)CC3)nc1=O ZINC000100507485 JI Annotated Anodyne O=C(O)CC12C[C@H]3C[C@H](C1)CC(n1ncc(NCc4ccc5c(c4)OCO5)c(Cl)c1=O)(C3)C2 ZINC000100508010 JI Annotated Anodyne O=C(O)CC12C[C@@H]3C[C@@H](C1)CC(n1ncc(NCc4ccc5c(c4)OCO5)c(Cl)c1=O)(C3)C2 ZINC000100508023 JI Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100525716 JI Annotated Bother O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(Br)c2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000100530553 JI Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(Br)c2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000100530558 JI Annotated Mild O=C1c2ccccc2N/C(=C\N2CCOCC2)N1Cc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000100534267 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN/C=C2\C(C)=Nc3ccccc32)cc1 ZINC000100534500 JI Annotated Bother COc1cccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1O ZINC000100547204 JI Annotated Anodyne COc1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000100547380 JI Annotated Anodyne COc1cccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OC ZINC000100547392 JI Annotated Anodyne Cc1ccccc1Cn1ccc(NC(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)n1 ZINC000100554220 JI Annotated Anodyne Cc1ccccc1Cn1ccc(NC(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)n1 ZINC000100554222 JI Annotated Anodyne Cc1ccccc1Cn1ccc(NC(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)n1 ZINC000100554225 JI Annotated Anodyne Cc1ccccc1Cn1ccc(NC(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)n1 ZINC000100554230 JI Annotated Anodyne C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000100558761 JI Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000100558764 JI Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000100558767 JI Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000100558769 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN/C=C1\C(C)=Nc2ccccc21 ZINC000100564976 JI Annotated Bother COC1=CC([N+](=O)[O-])=C/C(=C2\S/C(=N\c3cc(C)ccc3OC)NN2c2ccccc2)C1=O ZINC000100573059 JI Annotated Mild CC1(C)CC(=O)C(C(c2ccc(O)c(Br)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100577577 JI Annotated Anodyne O=C1C(=O)N(CCCO)[C@H](c2ccc(Br)cc2)/C1=C(\O)c1ccc(Br)cc1 ZINC000100586953 JI Annotated Mild O=C1C(=O)N(CCCO)[C@@H](c2ccc(Br)cc2)/C1=C(\O)c1ccc(Br)cc1 ZINC000100586957 JI Annotated Mild COCC/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1N/C=C1\C(C)=Nc2ccccc21 ZINC000100587292 JI Annotated Anodyne C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(CNC(=O)N3c4ccccc4CCc4ccccc43)nn1)C2 ZINC000100597463 JI Annotated Bother O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(C2=NC=NC2)cc1 ZINC000100623468 JI Annotated Anodyne COC(=O)[C@@H]1CC[C@H](NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)CC1 ZINC000100623823 JI Annotated Anodyne COC(=O)[C@@H]1CC[C@@H](NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)CC1 ZINC000100623836 JI Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2ccsc2n1 ZINC000100626215 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccncc5)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100633039 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccncc5)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100633041 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccn4)c31)[C@@H]1CC[C@@H](C2)N1 ZINC000100633159 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccn4)c31)[C@H]1CC[C@H](C2)N1 ZINC000100633165 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4cccnc4)c31)[C@@H]1CC[C@@H](C2)N1 ZINC000100633166 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4cccnc4)c31)[C@H]1CC[C@H](C2)N1 ZINC000100633169 JI Annotated Anodyne O=C(CC1CCOCC1)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636773 JI Annotated Anodyne C[C@@]1(O)CC[C@@H](C(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)CC1 ZINC000100636836 JI Annotated Anodyne C[C@@]1(O)CC[C@H](C(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)CC1 ZINC000100636842 JI Annotated Anodyne CO[C@H]1CC[C@H](CC(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)C1 ZINC000100636929 JI Annotated Anodyne Cc1cc2c(c(N3CCN(CC[C@@H]4CC[C@@H](CC(=O)C5CCOCC5)CC4)CC3)n1)CCO2 ZINC000100636960 JI Annotated Anodyne Cc1cc2c(c(N3CCN(CC[C@@H]4CC[C@@H](CC(=O)CC5CCOCC5)CC4)CC3)n1)CCO2 ZINC000100636961 JI Annotated Anodyne Cc1cnc(N2CCN(CC[C@@H]3CC[C@@H](CC(=O)C4CCOCC4)CC3)CC2)c2c1OCC2 ZINC000100636987 JI Annotated Anodyne Cc1cnc(N2CCN(CC[C@@H]3CC[C@@H](CC(=O)CC4CCOCC4)CC3)CC2)c2c1OCC2 ZINC000100636990 JI Annotated Anodyne N#Cc1ccc(C(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1 ZINC000100637008 JI Annotated Mild O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc2c(c1)OCO2 ZINC000100637025 JI Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000100638912 JI Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000100638914 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000100664980 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000100664981 JI Annotated Anodyne COc1ccc(Br)cc1CNc1nc2nc(C)c(Cc3ccccc3)c(O)n2n1 ZINC000100695419 JI Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703268 JI Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703269 JI Annotated Anodyne Cc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(F)cc2)s1 ZINC000100703888 JI Annotated Anodyne CCc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(OC)cc2)s1 ZINC000100703907 JI Annotated Anodyne COc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705295 JI Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)NC[C@@H]1CCCO1 ZINC000100705640 JI Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)NC[C@H]1CCCO1 ZINC000100705642 JI Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705644 JI Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705645 JI Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705678 JI Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705680 JI Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000100705740 JI Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000100705743 JI Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000100705983 JI Annotated Bother O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)Nc1nccs1 ZINC000100706004 JI Annotated Bother Cc1cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000100706016 JI Annotated Bother CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000100735729 JI Annotated Mild CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@@H](O)CC[C@@]54C)CC3=CC(=O)[C@@H]12 ZINC000100735731 JI Annotated Mild CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000100735733 JI Annotated Mild CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000100735735 JI Annotated Mild C[C@@H]1[C@@H](OS(=O)(=O)c2ccc3[nH]c(=S)sc3c2)C[C@H]2[C@]3(C)CC[C@]2([C@H](C)C(=O)O)[C@H](O)[C@H]13 ZINC000100735755 JI Annotated Mild C[C@@H]1[C@H](OS(=O)(=O)c2ccc3[nH]c(=S)sc3c2)C[C@H]2[C@]3(C)CC[C@]2([C@H](C)C(=O)O)[C@H](O)[C@H]13 ZINC000100735757 JI Annotated Mild C[C@@H]1[C@@H](OS(=O)(=O)c2ccc3[nH]c(=S)sc3c2)C[C@@H]2[C@]3([C@H](C)C(=O)O)CC[C@@]2(C)[C@@H]1[C@@H]3O ZINC000100735760 JI Annotated Mild C[C@H](COC(=O)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C\C#C[C@H]14)S(=O)(=O)c1ccccc1 ZINC000100763420 JI Annotated Mild O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cnccn3)c1)C1CC1)CCCCCC2 ZINC000100763647 JI Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cnccn3)c1)C1CC1)CCCCCC2 ZINC000100763650 JI Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ncccn3)c1)C1CC1)CCCCCC2 ZINC000100763695 JI Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ncccn3)c1)C1CC1)CCCCCC2 ZINC000100763698 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](C(=O)[C@H](N)CC1CCCCC1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 ZINC000100765216 JI Annotated Reactive CC(C)(C)OC(=O)N[C@@H](C(=O)[C@@H](N)CC1CCCCC1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 ZINC000100765218 JI Annotated Reactive OC1C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]24Cl ZINC000100769236 JI Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](OC(C)=O)[C@H]3C(C)(C)OC(=O)CC[C@@]3(C)[C@@H]1C2 ZINC000100772848 JI Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](OC(C)=O)[C@H]3C(C)(C)OC(=O)CC[C@@]3(C)[C@H]1C2 ZINC000100772850 JI Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](OC(C)=O)[C@H]3C(C)(C)OC(=O)CC[C@@]3(C)[C@@H]1C2 ZINC000100772851 JI Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](OC(C)=O)[C@H]3C(C)(C)OC(=O)CC[C@@]3(C)[C@H]1C2 ZINC000100772853 JI Annotated Anodyne in-man endogenous CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@@H]3C[C@@]4(C)O[C@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6[C@@]4([C@@H]12)[C@@H]35 ZINC000100780023 JI Annotated Anodyne in-man endogenous CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@@H]3C[C@@]4(C)O[C@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6[C@]4([C@@H]12)[C@@H]35 ZINC000100780026 JI Annotated Anodyne in-man endogenous CO[C@H]1[C@@H]2S[C@@H]2[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]34C(=O)O)O[C@@H]1C ZINC000100780177 JI Annotated Mild CO[C@H]1[C@@H]2S[C@@H]2[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)O[C@@H]1C ZINC000100780178 JI Annotated Mild CC[C@H](C1=C(O)O[C@@H]2CCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781564 JI Annotated Mild CC[C@@H](C1=C(O)O[C@@H]2CCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781570 JI Annotated Mild CC[C@H](C1=C(O)O[C@H]2CCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781576 JI Annotated Mild CC[C@@H](C1=C(O)O[C@H]2CCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781582 JI Annotated Mild O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN([C@@H]1C[C@@H]3CC[C@@H]1C3)C2=O)c1ccccc1 ZINC000100800658 JI Annotated Anodyne O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN([C@H]1C[C@@H]3CC[C@@H]1C3)C2=O)c1ccccc1 ZINC000100800659 JI Annotated Anodyne CO[C@]12CC[C@]3(C)[C@@H](CCC[C@@]3([C@H](O)C[C@@H](CCOC(=O)c3ccccc3)CN(C)C)O1)C2 ZINC000100803070 JI Annotated Anodyne CO[C@]12CC[C@@]3(C)[C@@H](CCC[C@@]3([C@H](O)C[C@@H](CCOC(=O)c3ccccc3)CN(C)C)O1)C2 ZINC000100803073 JI Annotated Anodyne CO[C@]12CC[C@]3(C)[C@H](CCC[C@@]3([C@H](O)C[C@@H](CCOC(=O)c3ccccc3)CN(C)C)O1)C2 ZINC000100803076 JI Annotated Anodyne Cc1ccc(C(=O)N2N[C@@H](c3ccc(F)cc3)[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]32)cc1 ZINC000100807390 JI Annotated Anodyne Cc1ccc(C(=O)N2N[C@@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]32)cc1 ZINC000100807394 JI Annotated Anodyne C[C@@]12C[C@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4)CC3)c1)c1ccccc1O2 ZINC000100808499 JI Annotated Anodyne C[C@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4)CC3)c1)c1ccccc1O2 ZINC000100808502 JI Annotated Anodyne CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1cccc(C(=O)NCc2ccccn2)c1 ZINC000100808512 JI Annotated Anodyne CCCCC/C=C\C[C@@]1(O)C=C(Cl)C(=O)/C1=C/[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000100815732 JI Annotated Mild CCN(CC)C(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@@]4(C)OO[C@]23[C@@H](OC)O4)cc1 ZINC000100858425 JI Annotated Reactive CCN(CC)C(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H](OC)O4)cc1 ZINC000100858433 JI Annotated Reactive COc1ccc(N2CCN(c3[nH]nc(-n4nc(C)cc4C)c4nc5ccccc5c3-4)CC2)cc1 ZINC000100863021 JI Annotated Clean N#Cc1cc2c(cc1N1CCN(c3cccc(C(F)(F)F)c3)CC1)[n+]([O-])c1ccc(Cl)cc1[n+]2[O-] ZINC000100901885 JI Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccc(C(=O)O)n2)[C@@]13C(=O)O ZINC000100931062 JI Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccc(C(=O)O)n2)[C@@]13C(=O)O ZINC000100931065 JI Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C(=O)O)n2)[C@@]13C(=O)O ZINC000100931067 JI Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C(=O)O)n2)[C@@]13C(=O)O ZINC000100931070 JI Annotated Mild O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)NC21C(=O)c2ccccc2C1=O ZINC000100989354 JI Annotated Clean CCN(CC)CC(=O)Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101011898 JI Annotated Anodyne CCN(CC)CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101011902 JI Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1cc(/C=C/CN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000101027558 JI Annotated Anodyne O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000101027563 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1[C@@H](c1ccc(O)c(O)c1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000101031839 JI Annotated Clean Cc1nn(-c2ccccc2)c(O)c1[C@H](c1ccc(O)c(O)c1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000101031840 JI Annotated Clean CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(Br)ccc21 ZINC000101034715 JI Annotated Anodyne OC[C@H]1C[C@@]2(c3ccccc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000101035762 JI Annotated Anodyne OC[C@@H]1C[C@@]2(c3ccccc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000101035769 JI Annotated Anodyne O=C(O)[C@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000101038109 JI Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000101038110 JI Annotated Anodyne Cc1cccc(NC(=O)Cn2c(O)c(/N=N/C(=O)C(=O)NCc3ccccc3)c3ccccc32)c1 ZINC000101038238 JI Annotated Clean O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)[C@@H](CO)c1cccnc1 ZINC000101040885 JI Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)[C@H](CO)c1cccnc1 ZINC000101040886 JI Annotated Anodyne O=C(O)[C@@]1(OCc2ccccc2-c2cccc3c2Sc2ccccc2S3)C[C@@H](O)[C@H](O)[C@H](O)C1 ZINC000101042408 JI Annotated Anodyne COc1cc(/C=C/C(=O)N2[C@@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl ZINC000101059582 JI Annotated Anodyne COc1cc(/C=C/C(=O)N2[C@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl ZINC000101059587 JI Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](OC(C)=O)C2)cc1OC(C)C ZINC000101073587 JI Annotated Mild CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2c(Br)cccc21 ZINC000101077728 JI Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@H](S(=O)(=O)Oc4ccccc4)[C@@H]2O3)cc1 ZINC000101079119 JI Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@@H](S(=O)(=O)Oc4ccccc4)[C@@H]2O3)cc1 ZINC000101079126 JI Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@@H](O)[C@@H](CO)C[C@H](OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000101079551 JI Annotated Mild O=C(O)CCCCCN1C(=O)[C@@H]([C@H]2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC1=S ZINC000101098730 JI Annotated Clean O=C(O)CCCCCN1C(=O)[C@H]([C@H]2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC1=S ZINC000101098734 JI Annotated Clean CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C/C=C/[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@H]2C ZINC000101122099 JI Annotated Anodyne CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C/C=C/[C@@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@H]2C ZINC000101122101 JI Annotated Anodyne O=C(O)c1c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc2n2c1sc1ccccc12 ZINC000101152892 JI Annotated Bother COc1c(C)c(O)c(C[C@@]2(C)C(O)=C(C)C(=O)C(C(=O)C(C)C)=C2O)c(O)c1C(=O)C(C)C ZINC000101161805 JI Annotated Mild CC[C@@H](C)C(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000101168934 JI Annotated Mild CC[C@H](C)C(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000101168937 JI Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(CC4CC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000101179788 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(CC4CC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000101179793 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2CN(CC4CC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000101179794 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4O[C@@H](C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101180793 JI Annotated Mild C=C(C#N)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101188260 JI Annotated Reactive C=C(C#N)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101188267 JI Annotated Reactive C=C(C#N)CN1C[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101188271 JI Annotated Reactive CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C(C)(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)cc1 ZINC000101208080 JI Annotated Anodyne COc1cc(-c2cnc3[nH]c(-c4ccc(Cl)cc4)cn3c2=O)ccc1OCCN1CCCC1 ZINC000101233702 JI Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(C)/C(=N/Cc3ccccc3)OC(=O)N2C1=O ZINC000101253681 JI Annotated Mild COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1O ZINC000101257484 JI Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1O ZINC000101257490 JI Annotated Anodyne COc1cc(/C=C2/C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)[C@@H]3CC[C@@H]2N3C)cc(OC)c1OC ZINC000101257985 JI Annotated Mild C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@H]1C[C@@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@@]12C ZINC000101258835 JI Annotated Mild O=C(OCc1ccccc1[N+](=O)[O-])N1c2ccccc2[C@@]23O[C@]24CCC[C@H]3C#C/C=C\C#C[C@H]14 ZINC000101275177 JI Annotated Mild CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc(F)ccc3N2)C(=O)N1Cc1ccc(F)cc1 ZINC000101294419 JI Annotated Anodyne CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc(C#N)ccc3N2)C(=O)N1Cc1ccc(F)cc1 ZINC000101294424 JI Annotated Mild CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc([N+](=O)[O-])ccc3N2)C(=O)N1Cc1ccc(F)cc1 ZINC000101294431 JI Annotated Bother Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CC(F)(F)C1)c1cccc(F)c1 ZINC000101330429 JI Annotated Anodyne Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 ZINC000101330441 JI Annotated Anodyne Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 ZINC000101330446 JI Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccn2C)[C@@]13C(=O)O ZINC000101340267 JI Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccn2C)[C@@]13C(=O)O ZINC000101340271 JI Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccn2C)[C@@]13C(=O)O ZINC000101340273 JI Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccn2C)[C@@]13C(=O)O ZINC000101340275 JI Annotated Mild CCOC(=O)N1CCN(C(=O)c2cccc(N3C(=O)N[C@@H]4C[C@]3(C)Oc3ccc(Cl)cc34)c2)CC1 ZINC000101379574 JI Annotated Anodyne COc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000101379874 JI Annotated Anodyne COc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000101380240 JI Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2cccc(N3C(=O)N[C@@H]4C[C@]3(C)Oc3ccc(C)cc34)c2)CC1 ZINC000101380668 JI Annotated Anodyne COC(=O)c1[nH]c(-c2ccc3c(n2)C(=O)C(Br)=CC3=O)c2nc3ccccc3c-2c1C ZINC000101386846 JI Annotated Mild CCC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(C)=O)c2cccc(F)c2)C1 ZINC000101391213 JI Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC000101403139 JI Annotated Anodyne CCN(CC)c1oc2cc(OC)ccc2c(=O)c1Cc1c(OC(C)=O)ccc2ccc(=O)oc12 ZINC000101463772 JI Annotated Anodyne COc1ccc2c(=O)c(Cc3c(OC(C)=O)ccc4ccc(=O)oc34)c(N3CCCC3)oc2c1 ZINC000101465556 JI Annotated Anodyne COc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN(/C(S)=N/c4ccccc4)CC3)=C(O)C2)cc1 ZINC000101491213 JI Annotated Mild Cc1cc(-n2c(SCC(=O)NCc3cccs3)nc3nnc(C)c-3c2N)ccc1Cl ZINC000101505957 JI Annotated Anodyne CSc1ccccc1Nc1nc(N2[C@@H]3CC[C@@H]2CC(N)C3)nc2c(NCC3CC3)ncnc12 ZINC000101518744 JI Annotated Anodyne CSc1ccccc1Nc1nc(N2[C@H]3CC[C@H]2CC(N)C3)nc2c(NCC3CC3)ncnc12 ZINC000101518763 JI Annotated Anodyne Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000101520888 JI Annotated Anodyne Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2Cl)cc1 ZINC000101520896 JI Annotated Anodyne Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000101521219 JI Annotated Anodyne Cc1ccc(NC(=S)/N=N/c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1C ZINC000101533613 JI Annotated Clean CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)cn1)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1/C=C\2CO ZINC000101541655 JI Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1 ZINC000101549178 JI Annotated Anodyne Cc1nc(/C=C/[C@@H]2C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000101551148 JI Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3ccsc3c(=O)n2Cc2ccco2)c(S)cc1Cl ZINC000101557436 JI Annotated Anodyne CC1=C[C@H]2C3=C(C(=O)c4ccccc4C3=O)[C@]3(O)c4ccccc4C(=O)[C@@]2(/C=C/C(C)(C)O)[C@H]3C1 ZINC000101563231 JI Annotated Mild COc1cc(O)c2c3c1-c1oc4c(/C=C(\O)C(C)(C)O)c(O)cc(O)c4c(=O)c1C[C@@H]3C(C)(C)O2 ZINC000101573693 JI Annotated Anodyne CCCSc1c(C(=O)NC2[C@H]3CC4C[C@H]2CC(OC)(C4)C3)cnn1-c1ccc(C(=O)O)cc1 ZINC000101580005 JI Annotated Anodyne CCCSc1c(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](OC)(C4)C3)cnn1-c1ccc(C(=O)O)cc1 ZINC000101580012 JI Annotated Anodyne CCCSc1c(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](OC)(C4)C3)cnn1-c1ccc(C(=O)O)cc1 ZINC000101580018 JI Annotated Anodyne CCCSc1c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(OC)(C4)C3)cnn1-c1ccc(C(=O)O)cc1 ZINC000101580023 JI Annotated Anodyne C/C(=C\c1coc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000101615483 JI Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@]3(C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101624899 JI Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101624902 JI Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@]3(C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101624909 JI Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@]3(C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101624912 JI Annotated Anodyne C=C1C[C@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OC(C)=O ZINC000101626336 JI Annotated Mild CCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)C=C3)C1=O ZINC000101631425 JI Annotated Mild O=C(Cc1cccc2ccccc12)Nc1cn([C@H]2C[C@@H](NC(=O)c3cccc(Cl)n3)C2)cn1 ZINC000101634517 JI Annotated Anodyne COc1ccc2c3ncn(/N=C/c4ccc(OC)c(COc5ccccn5)c4)c(O)c-3nc2c1 ZINC000101640977 JI Annotated Mild CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000101651682 JI Annotated Clean C[C@@H](C(=O)/N=N/c1c(O)n(C)c2ccc(Br)cc12)n1cnc2ccccc2c1=O ZINC000101653497 JI Annotated Clean C[C@H](C(=O)/N=N/c1c(O)n(C)c2ccc(Br)cc12)n1cnc2ccccc2c1=O ZINC000101653501 JI Annotated Clean COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000101655307 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000101655309 JI Annotated Mild N=c1sc(=S)[nH]c2nc3[nH]c(=S)[nH]c(=O)c3c(-c3ccc(N4CCCCC4)cc3)c12 ZINC000101657882 JI Annotated Bother Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c(C3=CS(=O)(=O)c4ccccc4N3)c2O)s1 ZINC000101667078 JI Annotated Anodyne C=C(C)[C@@H]1Cc2c(ccc(O)c2OC/C=C(\C)CO)C2=C1C(=O)C(c1ccc(O)cc1)=C(OC)C2=O ZINC000101684721 JI Annotated Mild Cc1cc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2Cc2ccco2)c(S)cc1Cl ZINC000101693457 JI Annotated Anodyne O=C(NC1(c2ccc(F)cc2)CC1)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1 ZINC000101694783 JI Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C\C[C@H]1C[C@@H](O)[C@@H](C)C/C=C/Cc2ccc(F)c(O)c2C(=O)O1 ZINC000101706717 JI Annotated Anodyne Cc1c(-n2c(N)c(C(N)=O)c(-c3ccccc3)c2-c2ccccc2)n(C)n(-c2ccccc2)c1=O ZINC000101748417 JI Annotated Anodyne O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(OC(F)F)cc1OC(F)F)CC3 ZINC000101767161 JI Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000101789598 JI Annotated Mild COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000101789604 JI Annotated Mild O=C1[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101810724 JI Annotated Anodyne O=C1[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101810728 JI Annotated Anodyne O=C1[C@H]2C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)=NO[C@H]2C(=O)N1c1ccccc1 ZINC000101810733 JI Annotated Anodyne O=C1[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101810737 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 ZINC000101819967 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 ZINC000101819973 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000101819980 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000101819986 JI Annotated Anodyne COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)c1 ZINC000101820824 JI Annotated Mild COc1cccc([C@@H]2N[C@@H](c3cccc(OC)c3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)c1 ZINC000101820828 JI Annotated Mild O=C1OCC/C=C/CC/C=C/C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21 ZINC000101847308 JI Annotated Mild Cc1cc(C)cc(NC(=S)/N=N/c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000101848315 JI Annotated Clean Nc1nc(-c2ccc(Cl)cc2)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000101884881 JI Annotated Clean O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000101892251 JI Annotated Anodyne C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@H]3[C@H]1O)C2(C)C ZINC000101910074 JI Annotated Mild Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C[C@@H]2C[C@H]1c1ccccc1 ZINC000101930002 JI Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1CCc1ccccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101964139 JI Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1CCc1ccccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000101964145 JI Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101975898 JI Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000101975907 JI Annotated Anodyne Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000101994028 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3ccccn3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101995884 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3ccccn3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101995888 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3ccncc3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101998863 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3ccncc3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101998866 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccnc3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101999660 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccnc3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101999664 JI Annotated Anodyne COc1ccc([C@@H]2NC(SC(C(C)=O)C(C)=O)=N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC ZINC000102033099 JI Annotated Anodyne COc1ccc([C@H]2NC(SC(C(C)=O)C(C)=O)=N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC ZINC000102033108 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccccc1F)C2 ZINC000102070931 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccccc1F)C2 ZINC000102070935 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1cccc(F)c1)C2 ZINC000102070939 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1cccc(F)c1)C2 ZINC000102070942 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccc(F)cc1)C2 ZINC000102071952 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccc(F)cc1)C2 ZINC000102071955 JI Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1nc3ccccc3[nH]1)C2 ZINC000102073386 JI Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1nc3ccccc3[nH]1)C2 ZINC000102073390 JI Annotated Anodyne CC1(C)Cc2c(oc3ncn(CCn4cnc5oc6c(c5c4=N)CC(C)(C)SC6)c(=N)c23)CS1 ZINC000102083561 JI Annotated Anodyne N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(CCCC2)[C@H]1c1c(O)ccc2ccccc12 ZINC000102138986 JI Annotated Reactive N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(CCCC2)[C@@H]1c1c(O)ccc2ccccc12 ZINC000102138988 JI Annotated Reactive CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 ZINC000102148635 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 ZINC000102148638 JI Annotated Anodyne CC[C@@H](C)CCCCCCC(=O)/C=C(\O)C1=C2C=C3C[C@H](CO)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102157910 JI Annotated Mild CC[C@H](C)CCCCCCC(=O)/C=C(\O)C1=C2C=C3C[C@H](CO)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102157915 JI Annotated Mild CC[C@@H](C)CCCCCCC(=O)/C=C(\O)C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102157921 JI Annotated Mild CC[C@H](C)CCCCCCC(=O)/C=C(\O)C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102157926 JI Annotated Mild O=C(Nc1ccc(Cl)cc1Cl)C1=C(O)N(S)S(=O)(=O)c2cc(Cl)sc21 ZINC000102218879 JI Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(C)=O)c2ccccc2)[C@@]3(C)C1(C)C ZINC000102288262 JI Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(C)=O)c2ccccc2)[C@@]3(C)C1(C)C ZINC000102288269 JI Annotated Mild C=CCN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000102291361 JI Annotated Mild C=CCN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000102291369 JI Annotated Mild C=CCN1C[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000102291372 JI Annotated Mild CCCCCCSc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000102304026 JI Annotated Anodyne CC(=O)c1ccc([C@@H]2C[C@]34CN(Cc5cccc(C(F)(F)F)c5)S(=O)(=O)[C@H]3C[C@@H]2O4)cc1 ZINC000102333076 JI Annotated Anodyne COc1cc(-c2[nH]c(C(=O)NC[C@@H]3CCCO3)cc3c4ccccc4nc2-3)cc(OC)c1OC ZINC000102375990 JI Annotated Anodyne COc1cc(-c2[nH]c(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4nc2-3)cc(OC)c1OC ZINC000102375993 JI Annotated Anodyne CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)/N=N\c1c(O)[nH]c2cc(Br)ccc12 ZINC000102455163 JI Annotated Clean CCc1ccccc1/N=C(S)\N=N/c1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000102482695 JI Annotated Mild CCOC(=O)c1c(CN(C)C)n(C)c2c(O)c(/N=N\C(N)=O)c3ccc(Br)cc3c12 ZINC000102491119 JI Annotated Clean Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000102506078 JI Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000102506085 JI Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000102546253 JI Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000102546263 JI Annotated Mild CCOc1cc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000102552421 JI Annotated Mild CCOc1cc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000102552427 JI Annotated Mild NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000102580334 JI Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000102580336 JI Annotated Bother NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000102580337 JI Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000102580340 JI Annotated Bother CCN1C(=O)[C@@H]2[C@@H](c3ccc(SC4CCCCC4)cc3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000102668426 JI Annotated Anodyne Cc1cccc(C)c1/N=C(S)\N=N/c1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000102682665 JI Annotated Mild COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 ZINC000102695101 JI Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 ZINC000102695103 JI Annotated Anodyne CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102704271 JI Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102704278 JI Annotated Mild COC(=O)N1[C@@H]2CC(=O)O[C@@H]3c4cc5c(cc4[C@]1(C)[C@@]3(Br)c1ccccc12)OCO5 ZINC000102720374 JI Annotated Anodyne CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102731894 JI Annotated Mild CCOc1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102731897 JI Annotated Mild COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC ZINC000102786733 JI Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC ZINC000102786738 JI Annotated Anodyne Cc1cc2c(c(=O)o1)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3cc(C#N)ccc31)O2 ZINC000102801070 JI Annotated Mild Cc1cc2c(c(=O)o1)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3cc(C#N)ccc31)O2 ZINC000102801075 JI Annotated Mild COC(=O)N1[C@H]2CC(=O)O[C@@H]3c4cc5c(cc4[C@@]1(C)[C@@]3(Br)c1ccccc12)OCO5 ZINC000102807440 JI Annotated Anodyne COC(=O)N1[C@H]2CC(=O)O[C@H]3c4cc5c(cc4[C@@]1(C)[C@@]3(Br)c1ccccc12)OCO5 ZINC000102807443 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102840478 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccsc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102840481 JI Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)N1CCCC[C@@]21C(=O)OC ZINC000102851659 JI Annotated Anodyne CCOc1ccccc1N1C(=O)c2ccccc2N/C1=C\N1CCN(C(=O)c2ccco2)CC1 ZINC000102864183 JI Annotated Anodyne CCCC(=O)O[C@@H]1CC[C@]2(C)C=CC([C@@H](C)C(=O)OC)=C(O2)[C@@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H]1O[C@]21C ZINC000102869607 JI Annotated Anodyne CCCC(=O)O[C@@H]1CC[C@@]2(C)C=CC([C@@H](C)C(=O)OC)=C(O2)[C@@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H]1O[C@]21C ZINC000102869613 JI Annotated Anodyne CCCCCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000102908778 JI Annotated Anodyne COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102910658 JI Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102910660 JI Annotated Mild COC(=O)[C@@H](NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000102938611 JI Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)[C@@]1(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]321 ZINC000102961524 JI Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)[C@@]1(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]321 ZINC000102961526 JI Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)[C@]1(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]321 ZINC000102961528 JI Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)[C@]1(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]321 ZINC000102961530 JI Annotated Mild C/C(=N\NC(N)=S)[C@@H](CN1CCCCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 ZINC000102967191 JI Annotated Mild C/C(=N\NC(N)=S)[C@H](CN1CCCCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 ZINC000102967192 JI Annotated Mild Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3cc4ccccc4[nH]3)c(=O)n(C)c3ccccc23)cc1 ZINC000102973935 JI Annotated Anodyne CC[C@@H](C)C(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000102974861 JI Annotated Mild CC[C@H](C)C(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000102974864 JI Annotated Mild CC(=O)c1ccc(NC(=O)C(=O)[C@H](C(=O)/C=C/c2ccccc2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000102985918 JI Annotated Mild CC(=O)c1ccc(NC(=O)C(=O)[C@@H](C(=O)/C=C/c2ccccc2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000102985920 JI Annotated Mild C[C@@H]1CCCN(c2c(NCc3ccc(C(=O)N4CC=C(c5ccccc5)CC4)cc3)c(=O)c2=O)C1 ZINC000102986581 JI Annotated Anodyne C[C@H]1CCCN(c2c(NCc3ccc(C(=O)N4CC=C(c5ccccc5)CC4)cc3)c(=O)c2=O)C1 ZINC000102986585 JI Annotated Anodyne COc1cc([C@H]2N[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CC(C)C[C@H]2C3=O)cc(OC)c1OC ZINC000103000774 JI Annotated Anodyne CC(C)OC(=O)/C(O)=C/C(=O)c1cc(Cc2ccc(F)cc2F)cn(Cc2ccccc2F)c1=O ZINC000103007368 JI Annotated Mild N#C[C@]12C(=O)N3C(=N[C@H](c4ccco4)N[C@@H]3c3ccco3)[C@@]1(C#N)[C@@H](c1ccco1)NC1=C2CCCC1 ZINC000103014917 JI Annotated Mild N#C[C@]12C(=O)N3C(=N[C@H](c4ccco4)N[C@@H]3c3ccco3)[C@@]1(C#N)[C@H](c1ccco1)NC1=C2CCCC1 ZINC000103014920 JI Annotated Anodyne N#C[C@]12C3=N[C@H](c4ccco4)N[C@H](c4ccco4)N3C(=O)[C@]1(C#N)C1=C(CCCC1)N[C@@H]2c1ccco1 ZINC000103014925 JI Annotated Anodyne N#C[C@]12C3=N[C@H](c4ccco4)N[C@H](c4ccco4)N3C(=O)[C@]1(C#N)C1=C(CCCC1)N[C@H]2c1ccco1 ZINC000103014929 JI Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(Cl)cc3)C(=O)[C@]12C ZINC000103023396 JI Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(Br)cc3)C(=O)[C@@]12C ZINC000103027214 JI Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000103027575 JI Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(Br)cc3)C(=O)[C@]12C ZINC000103027711 JI Annotated Mild CCC(CC)Nc1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3c2ccc(C(C)=O)cn2)c(C)cc1C(N)=O ZINC000103027753 JI Annotated Anodyne CCC(CC)Nc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3c2ccc(C(C)=O)cn2)c(C)cc1C(N)=O ZINC000103027756 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc2c(c1)OCO2 ZINC000103049046 JI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc2c(c1)OCO2 ZINC000103049049 JI Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@@H]2N(CCc2cc(OC)cc(OC)c2)C(C)=O)cc1 ZINC000103056729 JI Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@H]2N(CCc2cc(OC)cc(OC)c2)C(C)=O)cc1 ZINC000103056731 JI Annotated Anodyne COc1ccc(CNC(=O)c2nc(Br)c3cccnc3c2N[C@@H]2CC[C@@H](N)CC2)cc1 ZINC000103063675 JI Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NCCc3ccccc3)nc(Br)c3cccnc23)CC1 ZINC000103065249 JI Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccccc3)nc(Br)c3cccnc23)CC1 ZINC000103070148 JI Annotated Anodyne CN(C)c1ccc(CNC(=O)c2nc(Br)c3cccnc3c2N[C@@H]2CC[C@@H](N)CC2)cc1 ZINC000103071486 JI Annotated Clean N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3cccs3)nc(Br)c3cccnc23)CC1 ZINC000103072435 JI Annotated Anodyne COCC/N=c1/scc(-c2cccs2)n1/N=C/c1cc(Br)c(O)c(OC)c1 ZINC000103100979 JI Annotated Mild COC(=O)C[C@@H]1C(C)(C)C(=O)[C@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000103109025 JI Annotated Anodyne COC(=O)C[C@@H]1C(C)(C)C(=O)[C@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000103109031 JI Annotated Anodyne COC(=O)c1c(C)nc(C)c2c1C(=O)C(Cl)=C(Nc1ccc(I)cc1)C2=O ZINC000103120534 JI Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C(Br)=C(Nc1ccc(Br)cc1)C2=O ZINC000103128164 JI Annotated Mild CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCCOC)c3c2oc2ccc(Cl)cc23)cc1 ZINC000103129514 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ccc(-c4cnn(C)c4)cc23)cn1 ZINC000103129527 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ccc(-c4cnn(C)c4)cc23)cn1 ZINC000103129529 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@H]3CC(C)(C)CO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103130217 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@@H]3CC(C)(C)CO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103130220 JI Annotated Anodyne CC[C@H]1C[C@H](n2c(=O)nc(-c3ccc(NC)nc3)c3oc4ncc(-c5cnn(C)c5)cc4c32)CCO1 ZINC000103131374 JI Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3ccc(NC)nc3)c3oc4ncc(-c5cnn(C)c5)cc4c32)CCO1 ZINC000103131378 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@@H]3CCCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131422 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@H]3CCCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131426 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n([C@@H](C)C[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131432 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n([C@H](C)C[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131434 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n([C@@H](C)C[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131437 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n([C@H](C)C[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131440 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@@]3(C)CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131461 JI Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@]3(C)CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131465 JI Annotated Anodyne CCC1(OC)CC(n2c(=O)nc(-c3ccc(NC)nc3)c3oc4ncc(-c5cnn(C)c5)cc4c32)C1 ZINC000103131469 JI Annotated Anodyne N#Cc1c(-c2ccccc2O)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134051 JI Annotated Mild N#Cc1c(-c2ccc(O)cc2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134054 JI Annotated Mild CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(-c4cccnc4)cc23)cc1 ZINC000103135363 JI Annotated Anodyne CCOc1ccc(N2C(=O)c3ccccc3N/C2=C\N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000103142541 JI Annotated Anodyne C/C1=C/C2=C[C@H](C)C[C@]2(Br)C(=O)[C@@]2(C)O[C@@H]([C@@H](Br)C1=O)C(C)(C)CC2=O ZINC000103146615 JI Annotated Reactive CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103153637 JI Annotated Clean Cc1c(C(N)=O)sc2nc(C)n(/N=c3\scc(-c4ccccc4)n3Cc3ccccc3)c(=O)c12 ZINC000103155773 JI Annotated Anodyne COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3o/c(=C\c4ccc(Cl)cc4)c(=O)n32)cc1 ZINC000103167320 JI Annotated Anodyne COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3o/c(=C\c4ccc(Cl)cc4)c(=O)n32)cc1 ZINC000103167323 JI Annotated Anodyne O=C(CN(CCCl)CCCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl ZINC000103169032 JI Annotated Reactive O=C(CN(CCCl)CCCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Cl)cc1 ZINC000103169035 JI Annotated Reactive O=C1/C(=N\n2c(CCc3ccccc3)n[nH]c2=S)c2cc(Cl)ccc2N1CN1CCCCC1 ZINC000103169871 JI Annotated Mild C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O ZINC000103170183 JI Annotated Mild N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1ccccc1 ZINC000103170689 JI Annotated Anodyne N#CC1(C#N)[C@H](c2ccccc2)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000103170693 JI Annotated Anodyne COC(=O)CCCCCNC(=O)c1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103171484 JI Annotated Bother CC(C)N1CCN(c2nc(Nc3ccccc3)nc(Oc3cc(=O)oc4ccccc34)n2)CC1 ZINC000103175916 JI Annotated Anodyne O=c1cc(Oc2nc(Nc3ccccc3)nc(N3CCN(c4ccccn4)CC3)n2)c2ccccc2o1 ZINC000103175918 JI Annotated Anodyne CC(=O)c1cc(C(C)=O)c(OC(=O)c2ccccc2[N+](=O)[O-])cc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000103176835 JI Annotated Bother Oc1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5s4)CC3)o2)cc1 ZINC000103180134 JI Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5o4)CC3)o2)cc1 ZINC000103180142 JI Annotated Bother O=C(NC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O)OCc1ccccc1Cl ZINC000103182186 JI Annotated Anodyne Cc1cc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000103182873 JI Annotated Mild COc1cc(C)nc2n/c(=N/C(=O)c3c(-c4ccc(Cl)cc4Cl)noc3C)sn12 ZINC000103184314 JI Annotated Anodyne COc1cc(Cl)nc2n/c(=N/C(=O)c3c(-c4ccc(Cl)cc4Cl)noc3C)sn12 ZINC000103184319 JI Annotated Anodyne COc1cc(C)nc(NC(=S)NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)n1 ZINC000103184396 JI Annotated Anodyne CC(C)c1csc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccccc2)n1 ZINC000103185001 JI Annotated Reactive C#CCN1C(=O)/C(=N\c2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)c(C)c2)c2cc([N+](=O)[O-])ccc21 ZINC000103185354 JI Annotated Mild COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(I)cc2)s1 ZINC000103186085 JI Annotated Anodyne CC(=O)Nc1ccc2nc(NC(=O)CSc3nnc(-c4cc5ccccc5oc4=O)o3)sc2c1 ZINC000103186153 JI Annotated Anodyne COc1ccc(/C=c2\oc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000103186579 JI Annotated Anodyne COc1ccc(/C=c2\oc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000103186582 JI Annotated Anodyne CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(o/c(=C\c3ccc(Cl)cc3)c2=O)=N1 ZINC000103186659 JI Annotated Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(o/c(=C\c3ccc(Cl)cc3)c2=O)=N1 ZINC000103186661 JI Annotated Anodyne CC1=N/C(=C\c2ccccc2Cl)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186744 JI Annotated Mild CC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186747 JI Annotated Mild COc1ccc(OC)c(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccc(Cl)cc2)c1 ZINC000103187079 JI Annotated Mild CCc1nn(C)c(C(=O)NCc2ccc(OCC(F)(F)C(F)(F)C(F)(F)F)nc2)c1Cl ZINC000103187174 JI Annotated Mild COc1cc(/C=N/[C@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(O)c(OC)c3)n2)ccc1O ZINC000103188126 JI Annotated Mild COc1cc(/C=N/[C@@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(O)c(OC)c3)n2)ccc1O ZINC000103188128 JI Annotated Mild COc1cc(/C=N/[C@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(O)c(OC)c3)n2)ccc1O ZINC000103188132 JI Annotated Mild COc1cc(/C=N/[C@@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(O)c(OC)c3)n2)ccc1O ZINC000103188134 JI Annotated Mild O=Nc1cnc(Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)nc1OCC1CCCCC1 ZINC000103191995 JI Annotated Anodyne O=Nc1cnc(Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nc1OCC1CCCCC1 ZINC000103191999 JI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(C(=O)NCc3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103192723 JI Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(C(=O)NCc3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103192727 JI Annotated Reactive Cc1nn(-c2ccc(/N=C/c3ccc(Br)cc3)cc2F)c(=O)n1CCCn1ccnc1 ZINC000103195251 JI Annotated Mild O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3c([N+](=O)[O-])cccc3s2)cc1 ZINC000103195981 JI Annotated Bother O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@H]1c1cccc(F)c1 ZINC000103199300 JI Annotated Reactive O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@@H]1c1cccc(F)c1 ZINC000103199303 JI Annotated Reactive O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@H]1c1cccc(F)c1 ZINC000103199305 JI Annotated Reactive O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@@H]1c1cccc(F)c1 ZINC000103199308 JI Annotated Reactive Cc1ccccc1OCc1nnc(S)n1N1C(=O)CS[C@H]1c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000103199809 JI Annotated Anodyne Cc1ccccc1OCc1nnc(S)n1N1C(=O)CS[C@@H]1c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000103199813 JI Annotated Anodyne Cc1ccc(-c2nnc(CN3CCC(n4nc5ccccc5n4)CC3)o2)cc1Br ZINC000103199991 JI Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200288 JI Annotated Bother C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200290 JI Annotated Bother C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200292 JI Annotated Bother C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200294 JI Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc(O)c2)cc1Cl ZINC000103200627 JI Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc(O)c2)cc1Cl ZINC000103200629 JI Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2[N+](=O)[O-])cc1F ZINC000103200741 JI Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2[N+](=O)[O-])cc1F ZINC000103200744 JI Annotated Bother Cn1cccc1-c1cc(-c2ccc(Br)cc2)n(S(=O)(=O)c2ccccc2)c(=O)c1C#N ZINC000103200769 JI Annotated Mild O=C1N(c2ccccc2)c2nc(CCN3CCCCC3)[nH]c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201452 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCCCC3)[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201455 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCCCC3)[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201457 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCCCC3)[nH]c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201459 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCCCC3)[nH]c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201483 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCCCC3)[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201486 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCCCC3)[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201489 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCCCC3)[nH]c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201491 JI Annotated Anodyne COc1ccc2c(Br)c(CN3CCC[C@H]3C(N)=O)c3cc(OC)c(OC)cc3c2c1 ZINC000103202464 JI Annotated Bother COc1ccc2c(CN3CCC[C@H]3C(N)=O)c(Br)c3cc(OC)c(OC)cc3c2c1 ZINC000103203485 JI Annotated Bother N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)OCCF)c1-c1ccc(Cl)cc1 ZINC000103203602 JI Annotated Mild Cc1ccc(C2=NN(c3ccc(S(=O)(=O)NC(=O)NCc4ccccc4)cc3)C(=O)CC2)c(C)c1 ZINC000103206683 JI Annotated Anodyne COc1ccc(C(=O)CNN2C(=O)/C(=C/c3ccc(F)cc3F)N=C2c2ccc(F)cc2)cc1 ZINC000103207095 JI Annotated Anodyne O=C(CNN1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000103207163 JI Annotated Bother Cc1cc(Br)cc(C(=O)NNCc2ccccc2)c1NC(=O)C(C)(C)CCl ZINC000103208665 JI Annotated Reactive Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)C(C)(C)C ZINC000103208669 JI Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OCC)OCC)SC ZINC000103209156 JI Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OCC)OCC)SC ZINC000103209158 JI Annotated Reactive Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)C(C)(C)CCl ZINC000103210168 JI Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1F)P(=O)(OCC)OCC)SC ZINC000103210790 JI Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1F)P(=O)(OCC)OCC)SC ZINC000103210793 JI Annotated Reactive Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103211582 JI Annotated Reactive Cc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103211586 JI Annotated Reactive Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103211590 JI Annotated Reactive Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103211592 JI Annotated Reactive N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCOCC3)n2)cc1C(F)(F)F ZINC000103211733 JI Annotated Mild CCCNC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103215352 JI Annotated Mild CC(C)NC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103215354 JI Annotated Mild COC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103216681 JI Annotated Mild CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(C)cc3)CC(=O)[C@H](C)[C@@H]2c2ccc(C)cc2)CC1 ZINC000103217339 JI Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(C)cc3)CC(=O)[C@@H](C)[C@@H]2c2ccc(C)cc2)CC1 ZINC000103217343 JI Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccccc3)CC(=O)[C@H](CC)[C@@H]2c2ccccc2)CC1 ZINC000103218794 JI Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H](CC)[C@@H]2c2ccccc2)CC1 ZINC000103218796 JI Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccccc3)CC(=O)[C@H](CC)[C@H]2c2ccccc2)CC1 ZINC000103218798 JI Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H](CC)[C@H]2c2ccccc2)CC1 ZINC000103218801 JI Annotated Anodyne O=c1c(Cc2ccco2)cc(-c2ccccc2)nn1CCCN1CCN(Cc2ccccc2)CC1 ZINC000103219296 JI Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc(O)cc2)cc1Cl ZINC000103220714 JI Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc(O)cc2)cc1Cl ZINC000103220716 JI Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(Cl)cc2Cl)no1)SC ZINC000103220932 JI Annotated Reactive Nn1c(Nc2ccc(F)cc2)nc2c(c(SCc3ccccc3)nn2-c2ccccc2)c1=O ZINC000103220979 JI Annotated Anodyne Nn1c(Nc2ccccc2F)nc2c(c(SCc3ccccc3)nn2-c2ccccc2)c1=O ZINC000103220981 JI Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2O)cc1Cl ZINC000103222380 JI Annotated Clean Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2O)cc1Cl ZINC000103222382 JI Annotated Clean Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000103222394 JI Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000103222398 JI Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000103222403 JI Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000103222406 JI Annotated Bother Cc1ccc(N2C(=O)[C@H](Cl)[C@]23C(=O)Nc2c(Br)cc(Br)cc23)cc1 ZINC000103222462 JI Annotated Reactive Cc1ccc(N2C(=O)[C@@H](Cl)[C@]23C(=O)Nc2c(Br)cc(Br)cc23)cc1 ZINC000103222465 JI Annotated Reactive Cc1ccc(N2C(=O)[C@H](Cl)[C@@]23C(=O)Nc2c(Br)cc(Br)cc23)cc1 ZINC000103222467 JI Annotated Reactive Cc1ccc(N2C(=O)[C@@H](Cl)[C@@]23C(=O)Nc2c(Br)cc(Br)cc23)cc1 ZINC000103222470 JI Annotated Reactive Cc1ccccc1N1C(=O)[C@H](Cl)[C@]12C(=O)Nc1c(Br)cc(Br)cc12 ZINC000103222475 JI Annotated Reactive Cc1ccccc1N1C(=O)[C@@H](Cl)[C@]12C(=O)Nc1c(Br)cc(Br)cc12 ZINC000103222477 JI Annotated Reactive Cc1ccccc1N1C(=O)[C@H](Cl)[C@@]12C(=O)Nc1c(Br)cc(Br)cc12 ZINC000103222481 JI Annotated Reactive Cc1ccccc1N1C(=O)[C@@H](Cl)[C@@]12C(=O)Nc1c(Br)cc(Br)cc12 ZINC000103222484 JI Annotated Reactive O=C1[C@H](Cl)[C@]2(C(=O)Nc3c(Br)cc(Br)cc32)N1c1ccccc1 ZINC000103222516 JI Annotated Reactive O=C1[C@@H](Cl)[C@]2(C(=O)Nc3c(Br)cc(Br)cc32)N1c1ccccc1 ZINC000103222519 JI Annotated Reactive O=C1[C@H](Cl)[C@@]2(C(=O)Nc3c(Br)cc(Br)cc32)N1c1ccccc1 ZINC000103222521 JI Annotated Reactive O=C1[C@@H](Cl)[C@@]2(C(=O)Nc3c(Br)cc(Br)cc32)N1c1ccccc1 ZINC000103222525 JI Annotated Reactive Nn1c(Nc2cccc(F)c2)nc2c(c(SCc3ccccc3)nn2-c2ccccc2)c1=O ZINC000103222763 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(-c3ccccc3O)[nH]c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103223501 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(-c3ccccc3O)[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103223503 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(-c3ccccc3O)[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103223507 JI Annotated Anodyne O=C1N(c2ccccc2)c2nc(-c3ccccc3O)[nH]c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103223511 JI Annotated Anodyne COc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)ccc1-n1cnc(C)c1 ZINC000103225428 JI Annotated Anodyne COc1cc(C(=O)N2CC[C@H](NCc3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1 ZINC000103225509 JI Annotated Anodyne COc1cc(C(=O)N2CC[C@@H](NCc3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1 ZINC000103225511 JI Annotated Anodyne COc1cc(C(=O)N2C[C@H]3C[C@H]2CN3Cc2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1 ZINC000103225531 JI Annotated Anodyne NC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226866 JI Annotated Anodyne NC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226870 JI Annotated Anodyne COc1cc(/C=C(\C)[N+](=O)[O-])c(-c2cc3c(cc2/C=C(\C)[N+](=O)[O-])OCO3)c(OC)c1OC ZINC000103227132 JI Annotated Anodyne COc1cc(C=C(C#N)C#N)c(-c2c(C=C(C#N)C#N)cc(OC)c(OC)c2OC)cc1OC ZINC000103228559 JI Annotated Reactive CCOC(=O)/C(C#N)=C/c1ccccc1-c1c(/C=C(\C#N)C(=O)OCC)cc(OC)c(OC)c1OC ZINC000103228582 JI Annotated Reactive CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC ZINC000103228690 JI Annotated Mild CCOc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC ZINC000103228694 JI Annotated Mild O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1cccc(I)c1 ZINC000103228894 JI Annotated Reactive CO[C@@H]1C/C=C/[C@H](C)[C@@H]2O[C@](O)([C@H](C)C(=O)O[C@H](c3ccccc3)CCCC1)[C@H](OC)[C@@H](O)[C@@H]2C ZINC000103228954 JI Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)NC1=S ZINC000103229538 JI Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)NC1=S ZINC000103229540 JI Annotated Anodyne Nc1n[nH]c2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc12 ZINC000103230393 JI Annotated Anodyne Nc1n[nH]c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc12 ZINC000103230395 JI Annotated Anodyne Cn1nc(N)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21 ZINC000103230397 JI Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)NC1=S ZINC000103230507 JI Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)NC1=S ZINC000103230509 JI Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](CO)c2nc(-c3ccc(Cl)cc3)c(Br)o2)c1F ZINC000103232906 JI Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](CO)c2nc(-c3ccc(Cl)cc3)c(Br)o2)c1F ZINC000103232908 JI Annotated Anodyne CC1=CC(=O)[C@H]2CC(=O)[C@H]3[C@@](C)(C[C@@]45OC(=O)C[C@]3(C)[C@]4(C)CC[C@]34C[C@@H](C)C[C@H](CN35)O4)[C@@H]2C1 ZINC000103235161 JI Annotated Mild O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)NC1=S ZINC000103235530 JI Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)NC1=S ZINC000103235533 JI Annotated Anodyne COc1cc(N2CN(c3nc4ccc([N+](=O)[O-])cc4s3)C(=O)c3cccnc32)cc(OC)c1OC ZINC000103237509 JI Annotated Bother COc1ccc(-c2ccc(/C=C3/NC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1Cl ZINC000103238038 JI Annotated Anodyne COc1ccc(-c2ccc(/C=C3/NC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1Cl ZINC000103238040 JI Annotated Anodyne Cc1ccc(-c2cs/c(=N/NC(=O)CSc3nnc(C)s3)n2-c2ccccc2)cc1 ZINC000103238651 JI Annotated Reactive COc1ccc(-c2cs/c(=N/NC(=O)CSc3nnc(C)s3)n2-c2ccccc2)cc1 ZINC000103238653 JI Annotated Reactive O=C(CSc1ncccn1)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000103238677 JI Annotated Reactive O=C(CSc1ncccn1)N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000103238679 JI Annotated Reactive Cc1ccc(-c2cs/c(=N/NC(=O)CSc3nnnn3-c3ccccc3)n2-c2ccccc2)cc1 ZINC000103241821 JI Annotated Reactive c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 ZINC000103242156 JI Annotated Anodyne COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-n3cccn3)nc2)c2ccccc12 ZINC000103245360 JI Annotated Anodyne COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccccc12 ZINC000103245362 JI Annotated Anodyne Cc1nc2ccccc2c(=O)n1C(=S)NC(=O)Nc1nc2c(Br)cccc2s1 ZINC000103246276 JI Annotated Anodyne Cc1nc2cc(F)ccc2c(=O)n1C(=S)NC(=O)Nc1nc2c(Br)cccc2s1 ZINC000103246307 JI Annotated Anodyne c1ccc2c(c1)nc(N1CCN(Cc3cn(-c4ccc5c(c4)OCO5)nn3)CC1)c1ccccc12 ZINC000103247813 JI Annotated Bother C=C(C(=O)NCc1cn(Cc2ccccc2Cl)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248195 JI Annotated Mild C=C(C(=O)NCc1cn(Cc2cccc(Cl)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248197 JI Annotated Mild C=C(C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248199 JI Annotated Mild c1cc2cc(-c3cnc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cn3)[nH]c2cc1C1=NCCCN1 ZINC000103251408 JI Annotated Anodyne C(=C/Cc1cc2ccc(C3=NCCCN3)cc2[nH]1)\Cc1cc2ccc(C3=NCCCN3)cc2[nH]1 ZINC000103251460 JI Annotated Anodyne CC(C)(C)C1CCC(CN2CCN(CCCC[C@H]3CNC(=N)N3CCc3cccnc3)C2=N)CC1 ZINC000103252550 JI Annotated Anodyne CC(C)(C)C1CCC(CN2CCN(CCCC[C@@H]3CNC(=N)N3CCc3cccnc3)C2=N)CC1 ZINC000103252558 JI Annotated Anodyne O=C(O)c1ccc(F)c(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1 ZINC000103252924 JI Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]c(=O)oc2cc1F ZINC000103252931 JI Annotated Anodyne Cc1cc(-c2nnc(NCC3OCCO3)o2)nc2c(C(F)(F)F)cc(OCC(F)(F)F)cc12 ZINC000103259509 JI Annotated Anodyne CCN(CC)c1ncnc2c1ncn2[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)O1 ZINC000103261054 JI Annotated Anodyne CN(C)c1nc(Cl)nc2c1ncn2[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)O1 ZINC000103261067 JI Annotated Anodyne COc1ccc(-n2cc(Cn3nc(N)c4c(C(F)(F)F)cc(-c5ccccc5)nc43)nn2)cc1 ZINC000103261101 JI Annotated Anodyne Nc1nn(Cc2cn(-c3ccc(F)cc3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261111 JI Annotated Anodyne Nc1nn(Cc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261113 JI Annotated Bother CCOC1=C(/C(C)=N/OCC(=O)Nc2ccc(C(F)(F)F)cc2)N(C)S(=O)(=O)c2ccccc21 ZINC000103264384 JI Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Br)ccn(Cc3n[nH]c4ncccc34)c2=O)c1 ZINC000103265943 JI Annotated Mild CCOC(=O)c1c(CS(=O)(=O)c2ccc(C)cc2)n(C2CC2)c2ccc(O)c(Cn3ccnc3)c12 ZINC000103268070 JI Annotated Clean COc1c(C(C)(C)C)cc(-n2ccc(=O)[nH]c2=O)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc12 ZINC000103268747 JI Annotated Anodyne COc1c(C(C)(C)C)cc(N2CCC(=O)NC2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12 ZINC000103268759 JI Annotated Anodyne COc1c(C(C)(C)C)cc(N2CCCNC2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12 ZINC000103268761 JI Annotated Anodyne COc1c(C(C)(C)C)cc(-c2ccc(C)[nH]c2=O)c2ncc(CCCCNS(C)(=O)=O)cc12 ZINC000103268765 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccccc1Br)c1coc2ccccc2c1=O ZINC000103269348 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccccc1Br)c1coc2ccccc2c1=O ZINC000103269350 JI Annotated Anodyne COc1c(Br)cc(Br)c(CNCCCN(C)C)c1Br ZINC000103269969 JI Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(O)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000103270494 JI Annotated Mild CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3c2ccc(S(C)(=O)=O)c3Cl)CC1 ZINC000103271285 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3cc(S(C)(=O)=O)cc(Cl)c32)CC1 ZINC000103271296 JI Annotated Anodyne O=c1cc(-n2cc(COc3ccccc3Br)nn2)c2cc(Br)ccc2o1 ZINC000103271617 JI Annotated Anodyne O=c1cc(-n2cc(COc3ccc(Br)cc3)nn2)c2cc(Br)ccc2o1 ZINC000103271626 JI Annotated Anodyne CCOC(=O)c1ccc(OCc2cn(-c3c([N+](=O)[O-])cnc4ccc(Br)cc34)nn2)cc1 ZINC000103271672 JI Annotated Bother CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103273140 JI Annotated Clean CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103273142 JI Annotated Clean O=C(c1ccc[n+](Cc2ccc(Br)cc2)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000103273933 JI Annotated Anodyne CCCCCCCS(=O)(=O)Oc1c(-c2c(CC)cc(C)cc2CC)c(=O)n2n1CCOCC2 ZINC000103274640 JI Annotated Mild CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)SC ZINC000103278012 JI Annotated Reactive COc1cc(N2C(=S)SC[C@]2(O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000103278317 JI Annotated Anodyne COc1cc(N2C(=S)SC[C@@]2(O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000103278320 JI Annotated Anodyne COCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)C(C)C ZINC000103279226 JI Annotated Reactive CC(=O)NC1=NN(C(C)=O)C2(C[C@H](c3ccc(C)cc3)N(C(C)=O)[C@@H](c3ccc(C)cc3)C2)S1 ZINC000103280136 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(C[C@@H](c3ccc(C)cc3)N(C(C)=O)[C@H](c3ccc(C)cc3)C2)S1 ZINC000103280139 JI Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)C(C)C ZINC000103281011 JI Annotated Reactive CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1 ZINC000103281017 JI Annotated Reactive O=C(NCCn1ccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000103281267 JI Annotated Anodyne CC(=O)c1nn(-c2ccccc2)/c(=N/c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)cs2)s1 ZINC000103281710 JI Annotated Anodyne Cc1c(-c2csc(/N=C3\SCC(=O)N3c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000103281739 JI Annotated Mild Cc1ccc(C(=O)N/N=C(/Cn2c([N+](=O)[O-])cnc2C)c2ccc(Br)cc2)cc1 ZINC000103283930 JI Annotated Reactive COc1ccc(-c2cs/c(=N\NC(=O)c3ccc(O)cc3)n2-c2ccc(OC)cc2OC)cc1 ZINC000103284860 JI Annotated Reactive CCOC(=O)c1sc(-c2ccncc2)nc1N1CCC(NCc2ccc(OC)cc2)CC1 ZINC000103285852 JI Annotated Anodyne CCOC(=O)c1sc(-c2ccccn2)nc1N1CCC(NCc2ccc(OC)cc2)CC1 ZINC000103285868 JI Annotated Anodyne O=C(/C=C/c1ccccc1O)c1ccc(N2C(=O)C(Br)=C(Br)C2=O)cc1 ZINC000103287506 JI Annotated Mild CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)c3ccoc3)[C@@H]1CCC[C@]21CO1 ZINC000103288133 JI Annotated Anodyne CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2c(Cl)c(C(C)(C)C)nn2C)c(C)c1 ZINC000103288630 JI Annotated Anodyne CCCN(CC)C(=O)c1cn(C)nc1OCc1cc(Br)cc(Br)c1 ZINC000103289027 JI Annotated Anodyne C[C@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@@]2(C)O[C@@]2(C)[C@@H](O)O1 ZINC000103289114 JI Annotated Mild CCn1cc(-c2nnc(COc3ccc4ccccc4c3)o2)c(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000103289945 JI Annotated Anodyne O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2)Nc1ccccn1 ZINC000103290281 JI Annotated Mild O=C(C[N+]12CCC(CC1)[C@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2)Nc1ccccn1 ZINC000103290283 JI Annotated Mild CC(=O)OC/C=C(\COC(C)=O)[C@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]21CO1)OC(C)=O ZINC000103291012 JI Annotated Anodyne CC(=O)OC/C=C(\COC(C)=O)[C@@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]21CO1)OC(C)=O ZINC000103291014 JI Annotated Anodyne CCOCCc1ccc(OCCN(C(=O)c2cc(C(C)(C)C)nn2C)C(=O)C2CC2)c(C)c1 ZINC000103291058 JI Annotated Anodyne COc1c(OO)ccc(N2CCCN(C(=O)c3oc(C)nc3-c3ccccc3F)CC2)c1OC ZINC000103291240 JI Annotated Reactive C/C(=N\n1c(O)c(C#N)c(-c2cccc(O)c2)c(C#N)c1=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291506 JI Annotated Mild CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\OC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103293652 JI Annotated Mild CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103293859 JI Annotated Bother CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103293861 JI Annotated Bother CCOCCc1ccc(OCCN(C(=O)c2cc(C(C)(C)C)nn2C)C(=O)C(C)C)c(C)c1 ZINC000103293881 JI Annotated Anodyne O=S(=O)(Cl)c1ccc(Nc2nnc(Sc3ccc(S(=O)(=O)Cl)cc3)s2)cc1 ZINC000103294030 JI Annotated Unstable CC(=O)OC/C=C(/CC[C@@]1(C)[C@H](C)CC[C@@]2(CO)C(COC(C)=O)=CCC[C@@H]21)COC(C)=O ZINC000103294924 JI Annotated Anodyne CN1C[C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297468 JI Annotated Clean CN1C[C@H](CNC(=O)c2ccc(Br)cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297514 JI Annotated Clean CN1C[C@H](CNC(=O)c2ccc(I)cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297516 JI Annotated Clean O=C(O)c1ccc(Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn2)cc1 ZINC000103298301 JI Annotated Anodyne COC(=O)c1sc(-c2cccs2)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298513 JI Annotated Anodyne COC(=O)c1sc(-c2cccs2)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298516 JI Annotated Anodyne CC(C)=CCOC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298540 JI Annotated Anodyne CC(C)=CCOC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298542 JI Annotated Anodyne CC(C)OC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298545 JI Annotated Anodyne CC(C)OC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298547 JI Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1/C=N\c1nccs1 ZINC000103298584 JI Annotated Mild C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1/C=N\c1nccs1 ZINC000103298586 JI Annotated Mild C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1CNc1nccs1 ZINC000103298607 JI Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1CNc1nccs1 ZINC000103298609 JI Annotated Anodyne COC(=O)c1sc(-c2ccccc2)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298640 JI Annotated Anodyne COC(=O)c1sc(-c2ccccc2)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298642 JI Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1nc(-c2cnn3ccc(Br)cc23)cs1 ZINC000103299125 JI Annotated Bother N#Cc1ccc(F)c(S(=O)(=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)c1 ZINC000103299158 JI Annotated Mild N#Cc1cc(S(=O)(=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)ccc1F ZINC000103299160 JI Annotated Mild O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1c2ccsc2-c2c1cnn2-c1ccccc1 ZINC000103300422 JI Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1c2ccsc2-c2c1cnn2-c1ccccc1 ZINC000103300423 JI Annotated Anodyne C[n+]1ccn(Cc2cc3ccccc3c(-c3c(O)c(Cn4cc[n+](C)c4)cc4ccccc34)c2O)c1 ZINC000103300895 JI Annotated Clean COC(=O)[C@H](CCSC)NC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(O)c(O)c1 ZINC000103301080 JI Annotated Mild CC(C)CCN(CCC(C)C)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301321 JI Annotated Anodyne CC(C)CCN(CCC(C)C)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301347 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)Nc1cnccc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000103302019 JI Annotated Anodyne O=C1CCCC2=C1[C@H](c1ccc(C(F)(F)F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103302857 JI Annotated Mild O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103302869 JI Annotated Anodyne O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103302871 JI Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nnc2cncc(C(=O)Nc3ccnc(C(F)(F)F)c3)n12 ZINC000103302875 JI Annotated Anodyne O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303044 JI Annotated Anodyne CN(C)[C@@H](COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103303135 JI Annotated Anodyne Fc1ccc(C2(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)COC2)cc1F ZINC000103303138 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccccc1N1CCC(N(c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000103303240 JI Annotated Mild CN(C)S(=O)(=O)c1cccc(N2CCC(N(c3ccc(C#N)cc3)c3cccnc3)CC2)c1 ZINC000103303246 JI Annotated Mild O=C(Nc1ccnc(C(F)(F)F)c1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303354 JI Annotated Anodyne Fc1ccc(Cc2nccn2-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F ZINC000103303399 JI Annotated Anodyne O=C1[C@H](Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)[C@H](c2ccc(F)c(F)c2)N1C1CC1 ZINC000103303420 JI Annotated Anodyne O=C1[C@@H](Oc2cn3c(-c4ccc(OC(F)F)cc4)nnc3cn2)[C@@H](c2ccc(F)c(F)c2)N1C1CC1 ZINC000103303427 JI Annotated Anodyne COc1cc([C@H]2C3=C(N=C(C)/C2=C(/O)OCCC#N)c2ccccc2S3(=O)=O)cc(OC)c1OC ZINC000103350728 JI Annotated Mild COc1cc([C@@H]2C3=C(N=C(C)/C2=C(/O)OCCC#N)c2ccccc2S3(=O)=O)cc(OC)c1OC ZINC000103350732 JI Annotated Mild COCCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(Cl)c1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000103529230 JI Annotated Anodyne COCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(Cl)c1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000103529238 JI Annotated Anodyne COCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(Cl)cc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000103529305 JI Annotated Anodyne COCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(Cl)cc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000103529310 JI Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3nnc(C)s3)nc3c4ccccc4nc-3c2O)cc1 ZINC000103531092 JI Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCCN4CCOCC4)nc(O)c32)c1 ZINC000103531289 JI Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCCN4CCOCC4)nc(O)c32)c1 ZINC000103531294 JI Annotated Anodyne CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=CC3=C2CCC(C)C)c1 ZINC000103532166 JI Annotated Anodyne in-vitro biogenic O=S1(=O)C(/C=N/Cc2ccc3c(c2)OCO3)=C(O)c2sccc2N1Cc1ccccc1 ZINC000103536892 JI Annotated Mild O=S1(=O)C(/C=N/Cc2ccc3c(c2)OCO3)=C(O)c2sccc2N1Cc1ccc(F)cc1 ZINC000103536912 JI Annotated Mild CCc1ccc(CNC(=O)CSc2nc3nncc-3c(O)n2-c2ccccc2Cl)cc1 ZINC000103538193 JI Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nc(-c3cc(OC)cc(OC)c3)nn2[C@H]1c1ccc(OC)cc1 ZINC000103538493 JI Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nc(-c3cc(OC)cc(OC)c3)nn2[C@@H]1c1ccc(OC)cc1 ZINC000103538497 JI Annotated Anodyne COc1cc(Br)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)cc1OC ZINC000103539658 JI Annotated Anodyne COc1cc(Br)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)cc1OC ZINC000103539662 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)N1CCOCC1 ZINC000103539902 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)N1CCOCC1 ZINC000103539908 JI Annotated Anodyne C/C(=N\CCCN1CCOCC1)c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O ZINC000103540002 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCCO)c(OC)c1 ZINC000103544651 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCO)c(OC)c1 ZINC000103544655 JI Annotated Mild CC(=O)N1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@H]1CC[C@@]2(O)[C@H](C[C@@H]3C[C@@H](C)C[C@H]4[C@@H]3C[C@@H]2CN4C)N1 ZINC000103551825 JI Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@@H](OC(=O)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000103556549 JI Annotated Mild in-vitro biogenic C=C1[C@@H](O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000103556551 JI Annotated Mild in-vitro biogenic Cc1ccc2c(c1)C(NC1CCC(C(=O)NC3CCC(NC4CCN(C)CC4)CC3)CC1)=CCN2C ZINC000103556745 JI Annotated Anodyne COC1=C/C(=N\c2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)CC(OC)=C1 ZINC000103563001 JI Annotated Mild CC[C@H](C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)C1=O ZINC000103568105 JI Annotated Mild in-vitro biogenic CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Oc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)C1=O ZINC000103584881 JI Annotated Mild in-vitro biogenic C#Cc1cccc(C2=[C]C(=O)N(C)[C@@H]3C=CC([C@](O)(c4ccc(Cl)cc4)c4cncn4C)=C[C@@H]23)c1 ZINC000103591666 JI Annotated Mild investigational C#Cc1cccc(C2=[C]C(=O)N(C)[C@@H]3C=CC([C@@](O)(c4ccc(Cl)cc4)c4cncn4C)=C[C@@H]23)c1 ZINC000103591673 JI Annotated Mild investigational Cc1nnc2nc(SCC(=O)NCCC3=CCCCC3)n(-c3ccccc3Cl)c(N)c1-2 ZINC000103623078 JI Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)NCc1ccco1 ZINC000103623121 JI Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)NCc1ccco1 ZINC000103623124 JI Annotated Anodyne CCCCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1 ZINC000103623255 JI Annotated Anodyne Cc1ccc(Cl)cc1-n1c(SCC(=O)NCCc2ccccc2)nc2nnc(C)c-2c1N ZINC000103623414 JI Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3nnc(C)c-3c2N)cc1Cl ZINC000103623503 JI Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103623948 JI Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103623951 JI Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@H](c1cccc3ccccc13)C1=C(O)c3ccccc3C1=N2 ZINC000103633628 JI Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@@H](c1cccc3ccccc13)C1=C(O)c3ccccc3C1=N2 ZINC000103633635 JI Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103640312 JI Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103640316 JI Annotated Anodyne C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000103649575 JI Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000103649579 JI Annotated Mild Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2)N(C)[C@H]31 ZINC000103675264 JI Annotated Anodyne O=S(=O)(Nc1c(O)oc2ccccc2/c1=N/C1CCCCC1)c1ccc2nc(O)oc2c1 ZINC000103699178 JI Annotated Anodyne CCOc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000103740477 JI Annotated Mild CCOc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000103740483 JI Annotated Mild Cc1ccc(NC(=O)N2CCC(c3nc4n(Cc5c(F)cccc5Cl)[nH]nc-4c(=O)n3)CC2)cc1 ZINC000103741001 JI Annotated Anodyne O=C(NCCCCc1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000103765536 JI Annotated Bother O=C(NCCCCc1ccccc1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000103765541 JI Annotated Bother CC(=O)N1c2ccc(N/C=C3\C=C(Br)C=C(Br)C3=O)cc2C[C@H]1C ZINC000103792484 JI Annotated Mild CC(=O)N1c2ccc(N/C=C3\C=C(Br)C=C(Br)C3=O)cc2C[C@@H]1C ZINC000103792487 JI Annotated Mild CCOc1ccc(N2C(SCC(=O)NCc3ccco3)=NN/C2=C2\C=Nc3ccccc32)cc1 ZINC000103866797 JI Annotated Anodyne COc1cccc(N2C(SCC(=O)NCc3ccco3)=NN/C2=C2\C=Nc3ccccc32)c1 ZINC000103866848 JI Annotated Anodyne COc1ccc(N2C(SCC(=O)NCc3ccco3)=NN/C2=C2\C=Nc3ccccc32)cc1 ZINC000103866857 JI Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@H]3C4=C(O)c5ccccc5C4=Nc4c3c(=O)[nH]c(=O)n4C)c2)cc1 ZINC000103872998 JI Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@@H]3C4=C(O)c5ccccc5C4=Nc4c3c(=O)[nH]c(=O)n4C)c2)cc1 ZINC000103873005 JI Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCC(=O)O)c(OC)c1 ZINC000103876844 JI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCC(=O)O)c(OC)c1 ZINC000103876850 JI Annotated Mild O=[N+]([O-])c1cccc(CSc2nc3nncc-3c(O)n2-c2ccccc2Br)c1 ZINC000103903383 JI Annotated Anodyne CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000103915777 JI Annotated Mild CC(C)c1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000103915782 JI Annotated Mild COc1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000103917120 JI Annotated Mild COc1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000103917124 JI Annotated Mild COc1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000103917130 JI Annotated Mild COc1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000103917134 JI Annotated Mild CC1=C/C(=C2/C=C(C(=O)Nc3c(C(=O)c4ccc(C)cc4)oc4ccccc34)NN2)C(=O)C=C1 ZINC000103917346 JI Annotated Mild COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)cc(Cl)c1O ZINC000103931322 JI Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)cc(Cl)c1O ZINC000103931326 JI Annotated Anodyne COc1ccc(-n2c(SC/C(O)=N/Cc3cccc(Cl)c3)nc3nncc-3c2O)cc1 ZINC000103934341 JI Annotated Anodyne COC(=O)c1ccccc1NC(=O)C(=O)CC(=O)c1ccccc1/N=C1\C=C(O)C(=O)c2ccccc21 ZINC000103942505 JI Annotated Mild C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCCC4=C[C@@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)C(=O)O[C@@H]1C2 ZINC000103944252 JI Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCCC4=C[C@@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)C(=O)O[C@@H]1C2 ZINC000103944257 JI Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000103944263 JI Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000103944268 JI Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC5=C[C@@H]6C[C@H](CN7CCCC[C@H]67)[C@@H]54)[C@H]3[C@@H]3O[C@@]132 ZINC000103945380 JI Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC5=C[C@@H]6C[C@H](CN7CCCC[C@H]67)[C@@H]54)[C@H]3[C@@H]3O[C@@]132 ZINC000103945387 JI Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCN(c6cccc(C(F)(F)F)c6)CC5)[C@H]4C[C@@]13O2 ZINC000103946080 JI Annotated Anodyne CC1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000103957613 JI Annotated Anodyne O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])/N=N/c1c(O)[nH]c2ccccc12 ZINC000103962335 JI Annotated Clean COc1ccc(N([C@@H](C)C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)S(C)(=O)=O)cc1 ZINC000103962379 JI Annotated Clean COc1ccc(N([C@H](C)C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)S(C)(=O)=O)cc1 ZINC000103962384 JI Annotated Clean O=C1C(=O)N(c2ccccn2)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccc(Br)cc1 ZINC000103974271 JI Annotated Mild O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccc(Br)cc1 ZINC000103974277 JI Annotated Mild O=C(CSc1nc2nncc-2c(O)n1-c1ccc(F)c(Cl)c1)N1CCCc2ccccc21 ZINC000103975547 JI Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)Nc1ccc(Br)cc1F ZINC000103975649 JI Annotated Anodyne C=CCN(C(=O)CSc1nc2nncc-2c(O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000103976092 JI Annotated Mild O=C(CSc1nc2nncc-2c(O)n1-c1cccc2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000103976328 JI Annotated Anodyne COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000103994345 JI Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000103994349 JI Annotated Mild Cc1cc(OCC(C)C)ccc1/C(O)=C1/C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000104000124 JI Annotated Mild Cc1cc(OCC(C)C)ccc1/C(O)=C1/C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000104000129 JI Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000104005564 JI Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000104005569 JI Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000104005573 JI Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000104005576 JI Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cnn1-c1ccccc1 ZINC000104007317 JI Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cnn1-c1ccccc1 ZINC000104007320 JI Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000104007847 JI Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000104007852 JI Annotated Mild O=C(NCc1ccco1)C1=CC2=N[C@@H](c3ccc(Cl)c(Cl)c3)C[C@@H](C(F)(F)F)N2N1 ZINC000104010591 JI Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@H](c3ccc(Cl)c(Cl)c3)C[C@@H](C(F)(F)F)N2N1 ZINC000104010598 JI Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@@H](c3ccc(Cl)c(Cl)c3)C[C@H](C(F)(F)F)N2N1 ZINC000104010603 JI Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@H](c3ccc(Cl)c(Cl)c3)C[C@H](C(F)(F)F)N2N1 ZINC000104010609 JI Annotated Anodyne CC1=C(Br)C(O)=C(Br)C(=O)/C1=C/Nn1c(-c2ccccc2)n[nH]c1=S ZINC000104011890 JI Annotated Mild CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@H]1c1cccs1 ZINC000104014148 JI Annotated Mild CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1cccs1 ZINC000104014152 JI Annotated Mild CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@H]1c1cccs1 ZINC000104014159 JI Annotated Mild CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1cccs1 ZINC000104014164 JI Annotated Mild CC1=C(Oc2ccccc2F)/C(=C2/C=CC(OCc3cnn(-c4ccccc4)c3)=CC2=O)NN1 ZINC000104015559 JI Annotated Mild CC1=C(Oc2ccc(F)cc2)/C(=C2/C=CC(OCc3cnn(-c4ccccc4)c3)=CC2=O)NN1 ZINC000104015623 JI Annotated Mild COc1ccc(C2=C(C)NC(N)=N/C2=C2/C=CC(OCc3ccc(C)cc3)=CC2=O)cc1OC ZINC000104019915 JI Annotated Mild CC1=C(Oc2ccccc2)/C(=C2/C=CC(OCc3cnn(-c4ccccc4)c3)=C(C)C2=O)NN1 ZINC000104023182 JI Annotated Mild CCC1=C2C(=N[C@@]3(C(=O)Nc4ccccc43)c3cc(OC)c(OC)cc32)N(c2ccccc2)N1 ZINC000104034288 JI Annotated Anodyne CCC1=C2C(=N[C@]3(C(=O)Nc4ccccc43)c3cc(OC)c(OC)cc32)N(c2ccccc2)N1 ZINC000104034293 JI Annotated Anodyne COc1ccc(OC)c(N2C(SCC(=O)Nc3cc(C)on3)=NN/C2=C2/C=Nc3ccccc32)c1 ZINC000104036570 JI Annotated Anodyne COc1ccc(OC)c(N2C(SCC(=O)NCc3ccco3)=NN/C2=C2/C=Nc3ccccc32)c1 ZINC000104036606 JI Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)cc(Br)c1O ZINC000104036908 JI Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)cc(Br)c1O ZINC000104036913 JI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc2c(c1[N+](=O)[O-])OCO2 ZINC000104038865 JI Annotated Bother CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc2c(c1[N+](=O)[O-])OCO2 ZINC000104038870 JI Annotated Bother CN(C(=O)C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1)c1ccc(OC(F)(F)F)cc1 ZINC000104046107 JI Annotated Anodyne CN(C(=O)C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1)c1ccc(OC(F)(F)F)cc1 ZINC000104046112 JI Annotated Anodyne CN(C(=O)C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1)c1ccc(OC(F)(F)F)cc1 ZINC000104046118 JI Annotated Anodyne CN(C(=O)C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1)c1ccc(OC(F)(F)F)cc1 ZINC000104046122 JI Annotated Anodyne COC(=O)C[C@H]1C(C)(C)C(=O)[C@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000104055083 JI Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104072417 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104072424 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104072483 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104072487 JI Annotated Mild COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)c(OC)c1OC ZINC000104075877 JI Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)c(OC)c1OC ZINC000104075883 JI Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)c(OC)c1OC ZINC000104075886 JI Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)c(OC)c1OC ZINC000104075889 JI Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000104076455 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1OC ZINC000104076459 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000104082294 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1OC ZINC000104082297 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000104082893 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000104082897 JI Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104103985 JI Annotated Bother CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104103989 JI Annotated Bother CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104103992 JI Annotated Bother CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104103996 JI Annotated Bother COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000104108319 JI Annotated Bother COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000104108323 JI Annotated Bother COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000104108328 JI Annotated Bother COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000104108334 JI Annotated Bother CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000104111396 JI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000104111402 JI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000104111406 JI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000104111409 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(C)s1 ZINC000104111929 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(C)s1 ZINC000104111935 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(C)s1 ZINC000104111940 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(C)s1 ZINC000104111945 JI Annotated Mild CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1OC ZINC000104112291 JI Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1OC ZINC000104112298 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113447 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113452 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113457 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113463 JI Annotated Mild CCCCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000104153524 JI Annotated Anodyne CCCCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000104153527 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000104231973 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000104231979 JI Annotated Anodyne Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C[C@@H](c3ccccc3)[C@H]2C1 ZINC000104256738 JI Annotated Anodyne Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@@H]2C1=O ZINC000104256744 JI Annotated Anodyne COc1cc(Cl)c(CN2CCOc3ccc(CN4CCCC[C@H]4CO)cc3C2)cc1OC ZINC000104328111 JI Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@@H]3C[C@@]4(C)O[C@@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6[C@]4([C@@H]12)[C@@H]35 ZINC000104369879 JI Annotated Anodyne in-man CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@@H]3C[C@@]4(C)O[C@@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6[C@@]4([C@@H]12)[C@@H]35 ZINC000104369882 JI Annotated Anodyne in-man CCOc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000104384484 JI Annotated Mild CCOc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000104384486 JI Annotated Mild CCOc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000104384489 JI Annotated Mild CCOc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000104384496 JI Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104394524 JI Annotated Anodyne NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000104397133 JI Annotated Bother CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104421145 JI Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104421151 JI Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104421156 JI Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104421160 JI Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000104489909 JI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000104489914 JI Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C1 ZINC000104524738 JI Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C1 ZINC000104524745 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000104550909 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000104550912 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000104550922 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000104550929 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000104551811 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000104551818 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000104551824 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000104551831 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000104554241 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000104554248 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000104554253 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000104554258 JI Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000104579615 JI Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000104579621 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104581549 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104581553 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104581558 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104581563 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104615187 JI Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104615190 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000104628618 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000104628620 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104632785 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104632790 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104632795 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104632801 JI Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104634689 JI Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104634693 JI Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104634696 JI Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104634699 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104645916 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104645921 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104645926 JI Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cnn(C)c2C)C2=C(O)CCCC2=N1 ZINC000104690126 JI Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cnn(C)c2C)C2=C(O)CCCC2=N1 ZINC000104690129 JI Annotated Anodyne COc1cc(S(=O)(=O)N2CCCCC2)ccc1/N=C/c1c(C)nn(-c2ccc(C)c(C)c2)c1O ZINC000104692214 JI Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/c3ccc(S(=O)(=O)NCc4ccccc4)cc3)c2O)cc1 ZINC000104696503 JI Annotated Mild CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 ZINC000010818339 JI Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105175149 JI Annotated Bother COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105175156 JI Annotated Bother COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175231 JI Annotated Bother COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175234 JI Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175294 JI Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175298 JI Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000105179029 JI Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000105179031 JI Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1CC1CCCCC1)C[C@H](Cc1ccccc1)N2 ZINC000105235992 JI Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000105235999 JI Annotated Anodyne CC(=O)O[C@@H]1O[C@H]2[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC2(OCc1ccccc1)OCc1ccccc1 ZINC000105494418 JI Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]2[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC2(OCc1ccccc1)OCc1ccccc1 ZINC000105494422 JI Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@@H]3C[C@](C(=O)O)(c4ccccc43)[C@@H]12 ZINC000105502970 JI Annotated Anodyne O=C1C[C@H]([C@](O)(C(F)(F)F)C(F)(F)Cl)CC[C@H]1[C@](O)(C(F)(F)F)C(F)(F)Cl ZINC000105512975 JI Annotated Mild C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1 ZINC000105565549 JI Annotated Anodyne COC(=O)Cc1cc(O)c(C/C=C(\C)CC/C=C(\C)[C@H](OC(C)=O)C(=O)C=C(C)C)cc1O ZINC000105575848 JI Annotated Mild CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)N2C1=O ZINC000106420241 JI Annotated Anodyne CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)N2C1=O ZINC000106420244 JI Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000108639041 JI Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000108639044 JI Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000108639046 JI Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000108639048 JI Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000110748163 JI Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000110748166 JI Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000110748168 JI Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000110937593 JI Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000110937597 JI Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000110937601 JI Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000110937604 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCC[C@@H]1C2 ZINC000113109304 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCC[C@H]1C2 ZINC000113109307 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)[C@@H]1CCCN1CC2 ZINC000113109545 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)[C@H]1CCCN1CC2 ZINC000113109548 JI Annotated Anodyne COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCC[C@@](C)(O)C5)ccc4c3c2)cc1F ZINC000113145217 JI Annotated Anodyne COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCC[C@](C)(O)C5)ccc4c3c2)cc1F ZINC000113145218 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)[C@@H]1CCCN1CC2 ZINC000113186760 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)[C@H]1CCCN1CC2 ZINC000113186762 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CN1CCC[C@@H]1C2 ZINC000113186871 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CN1CCC[C@H]1C2 ZINC000113186874 JI Annotated Anodyne NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCO[C@@H](CO)C3)cc12 ZINC000113202472 JI Annotated Anodyne NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCO[C@H](CO)C3)cc12 ZINC000113202475 JI Annotated Anodyne NC(=O)c1cc(-c2ccc3scnc3c2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113202764 JI Annotated Anodyne NC(=O)c1cc(-c2ccc(F)c(Cl)c2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113205372 JI Annotated Anodyne NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113207860 JI Annotated Anodyne NC(=O)c1cc(-c2ccc3sccc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113209386 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113218761 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)[C@H]1CC[C@@H](C2)N1 ZINC000113218764 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)[C@@H]1CC[C@H](C2)N1 ZINC000113218766 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)[C@H]1CC[C@H](C2)N1 ZINC000113218768 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113221146 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)[C@H]1CC[C@@H](C2)N1 ZINC000113221147 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)[C@@H]1CC[C@H](C2)N1 ZINC000113221149 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)[C@H]1CC[C@H](C2)N1 ZINC000113221151 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113223863 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)[C@H]1CC[C@@H](C2)N1 ZINC000113223865 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)[C@@H]1CC[C@H](C2)N1 ZINC000113223869 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)[C@H]1CC[C@H](C2)N1 ZINC000113223871 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113225668 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)[C@H]1CC[C@@H](C2)N1 ZINC000113225670 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)[C@@H]1CC[C@H](C2)N1 ZINC000113225672 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)[C@H]1CC[C@H](C2)N1 ZINC000113225673 JI Annotated Anodyne CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(-c3nnn[nH]3)c2)c1O ZINC000113235757 JI Annotated Mild in-man COc1cc2ncc3c(c2cc1O[C@@H](CN)c1cccs1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113242027 JI Annotated Anodyne COc1cc2ncc3c(c2cc1O[C@H](CN)c1cccs1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113242030 JI Annotated Anodyne N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(OCCNC(=O)OCc3ccccc3)ccc12 ZINC000113275871 JI Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000113390999 JI Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@H](C(N)=O)c1ccc(F)cc1 ZINC000113391001 JI Annotated Mild COc1cc2ncc3c(c2cc1-c1cc(C(F)(F)F)nn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113412906 JI Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)=O ZINC000113477620 JI Annotated Anodyne COCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000113477853 JI Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)OC ZINC000113477867 JI Annotated Reactive CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1C[C@@H]1CCO1 ZINC000113477908 JI Annotated Anodyne CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1C[C@H]1CCO1 ZINC000113477910 JI Annotated Anodyne Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cc(Cl)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1 ZINC000113478492 JI Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(/C)N ZINC000113479285 JI Annotated Mild CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(C(=N)N)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000113590585 JI Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(C(=N)N)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000113590587 JI Annotated Anodyne NC1(c2ccc(-c3nc4nc(OCCN5CCCC5=O)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000113659102 JI Annotated Anodyne O=C(Nc1cccnn1)N1CC(Oc2ccc(-c3cccc(OCCOCc4ccccc4)c3)cn2)C1 ZINC000114003308 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cc(N)cc(N)c2)C1 ZINC000114097890 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccnc2)C1 ZINC000114099104 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cc(N)cc(N)c1 ZINC000114099153 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cc(N)cc(N)c1 ZINC000114099155 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1N ZINC000114099844 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1N ZINC000114099846 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc(N)c1 ZINC000114099958 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc(N)c1 ZINC000114099961 JI Annotated Anodyne COc1ncccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114100413 JI Annotated Anodyne COc1ncccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114100415 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000114100500 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000114100501 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccncc2)C1 ZINC000114100584 JI Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccc(N)cc1 ZINC000114100659 JI Annotated Clean CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccc(N)cc1 ZINC000114100661 JI Annotated Clean CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccn2C)C1 ZINC000114100839 JI Annotated Anodyne CN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3ccc(C#N)cc3OC(F)(F)F)ccc2F)N=C1N ZINC000114110627 JI Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2C2CCC2)nc1)C(F)(F)F ZINC000114156213 JI Annotated Anodyne Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000114156692 JI Annotated Anodyne Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2c1 ZINC000114158595 JI Annotated Anodyne Cc1cc2c(cn1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000114159913 JI Annotated Anodyne Cc1cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2cn1 ZINC000114159967 JI Annotated Anodyne CCOc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000114160141 JI Annotated Anodyne Cc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1 ZINC000114160585 JI Annotated Anodyne CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000114161329 JI Annotated Anodyne COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1 ZINC000114161898 JI Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2CC2CC2)nc1)C(F)(F)F ZINC000114176091 JI Annotated Anodyne COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000114343832 JI Annotated Anodyne COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000114343833 JI Annotated Anodyne Cn1ccc2cc(C(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)ccc21 ZINC000114344558 JI Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1 ZINC000114344993 JI Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1 ZINC000114344995 JI Annotated Anodyne COc1ccc(COc2cc(C(N)=O)c3ncnc(N[C@@H](CN(C)C)c4cccc(F)c4)c3c2)cc1 ZINC000114345645 JI Annotated Anodyne COc1ccc(COc2cc(C(N)=O)c3ncnc(N[C@H](CN(C)C)c4cccc(F)c4)c3c2)cc1 ZINC000114345647 JI Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(Cl)n1 ZINC000114345914 JI Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cc(C#N)cc34)c2)cc1F ZINC000114346921 JI Annotated Mild COc1ccc(C(=O)Nc2cccc([C@H](C)Nc3ncnc4c(C(N)=O)cc(C#N)cc34)c2)cc1F ZINC000114346923 JI Annotated Mild CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cc(OCc3ccc(F)cc3)cc12)c1cccc(F)c1 ZINC000114347114 JI Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cc(OCc3ccc(F)cc3)cc12)c1cccc(F)c1 ZINC000114347116 JI Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)nc4)c3)ncnc12 ZINC000114348303 JI Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCCCC5=O)cc4)c3)ncnc12 ZINC000114348439 JI Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2O)c1 ZINC000114348638 JI Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)c1 ZINC000114348640 JI Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C#N)c(F)c2)c1 ZINC000114348665 JI Annotated Mild C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C#N)c(F)c2)c1 ZINC000114348666 JI Annotated Mild COc1cc(F)c(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(F)c1 ZINC000114349377 JI Annotated Anodyne CC(C)n1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(C#N)cc21 ZINC000114359377 JI Annotated Mild CCCn1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(OC)cc21 ZINC000114361342 JI Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(NC[C@@H]3CCC[C@@H](CN)C3)nc(N[C@H](C)C(C)(C)C)n2)c1 ZINC000114534722 JI Annotated Anodyne O=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000114592018 JI Annotated Anodyne NC(=O)CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1 ZINC000114593167 JI Annotated Anodyne c1cc(-c2c(-c3nc(-c4ccc(Cn5ncnn5)cc4)no3)cnn2C2CCCCC2)ccn1 ZINC000114612349 JI Annotated Anodyne c1cc(-c2c(-c3nc(-c4ccc(Cc5nnn[nH]5)cc4)no3)cnn2C2CCCCC2)ccn1 ZINC000114612438 JI Annotated Anodyne c1cc(-c2c(-c3nc(-c4ccc(Cn5cnnn5)cc4)no3)cnn2C2CCCCC2)ccn1 ZINC000114612440 JI Annotated Anodyne COCc1c(-c2nc(-c3cccc(COCCCC(=O)CO)c3)no2)cnn1C1CCCCC1 ZINC000114612646 JI Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(C(=O)O)c4ccc(Cl)cc43)C2)cc1 ZINC000114688369 JI Annotated Anodyne CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1 ZINC000114709633 JI Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(OCC(=O)N4CCN(C)CC4)cc3)cc12 ZINC000114710601 JI Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N4CCOCC4)CC3)cc12 ZINC000114710935 JI Annotated Anodyne CC(C)(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O ZINC000114711430 JI Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CCN4S(C)(=O)=O)cc12 ZINC000114711785 JI Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N4CCC(O)CC4)CC3)cc12 ZINC000114713519 JI Annotated Anodyne CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)cn2)CC1 ZINC000114714157 JI Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)N4CCC(O)CC4)nc3)cc12 ZINC000114714279 JI Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)N4CCCN(C)CC4)nc3)cc12 ZINC000114725401 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114977230 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114977232 JI Annotated Anodyne O=S(=O)(CCCF)NCc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114977327 JI Annotated Anodyne O=S(=O)(CCCF)NCc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114977329 JI Annotated Anodyne CCCS(=O)(=O)NCCNc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114978655 JI Annotated Anodyne CCCS(=O)(=O)NCCNc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114978657 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)N(N=O)CC2 ZINC000114978667 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)N(N=O)CC2 ZINC000114978668 JI Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccnc1 ZINC000114979866 JI Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccnc1 ZINC000114979868 JI Annotated Anodyne CC(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114979937 JI Annotated Anodyne CC(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114979938 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1cc2c(cc1F)CCN[C@@H]2C1(c2ccc(Cl)cc2)CCC1 ZINC000114980145 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1cc2c(cc1F)CCN[C@H]2C1(c2ccc(Cl)cc2)CCC1 ZINC000114980148 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3cccc(Cl)c3)CCC1)NCC2 ZINC000114980258 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3cccc(Cl)c3)CCC1)NCC2 ZINC000114980260 JI Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CC1)NCC2)c1cccnc1 ZINC000114980473 JI Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CC1)NCC2)c1cccnc1 ZINC000114980475 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3OC)CCC1)NCC2 ZINC000114980485 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3OC)CCC1)NCC2 ZINC000114980488 JI Annotated Anodyne CCS(=O)(=O)N1CCN(c2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)CC1 ZINC000114980767 JI Annotated Anodyne CCS(=O)(=O)N1CCN(c2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)CC1 ZINC000114980769 JI Annotated Anodyne O=S(=O)(CCCF)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114981612 JI Annotated Anodyne O=S(=O)(CCCF)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114981613 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)CCN[C@H]2C1(c2ccc(Cl)cc2)CCC1 ZINC000114983078 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)CCN[C@@H]2C1(c2ccc(Cl)cc2)CCC1 ZINC000114983080 JI Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)C1CC1 ZINC000114984444 JI Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)C1CC1 ZINC000114984447 JI Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)C(F)(F)F ZINC000114984909 JI Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)C(F)(F)F ZINC000114984911 JI Annotated Anodyne C=CCN(C)[C@@H]1CCN(CC)c2c(C[S@@](=O)c3nc4cc(F)c(OC)cc4[nH]3)cccc21 ZINC000011687379 JI Annotated Anodyne investigational C=CCN(C)[C@H]1CCN(CC)c2c(C[S@@](=O)c3nc4cc(F)c(OC)cc4[nH]3)cccc21 ZINC000011687380 JI Annotated Anodyne investigational O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)CSc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000011688391 JI Annotated Anodyne CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cccn1-c1ccccn1)CC2 ZINC000011783731 JI Annotated Anodyne O=C([C@@H]1CC12CCN(Cc1cccc3cccnc13)CC2)N1CCN(Cc2cccs2)CC1 ZINC000011815205 JI Annotated Anodyne O=C([C@H]1CC12CCN(Cc1cccc3cccnc13)CC2)N1CCN(Cc2cccs2)CC1 ZINC000011815207 JI Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O)CC3 ZINC000011840853 JI Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O)CC3 ZINC000011840855 JI Annotated Anodyne CCOC(=O)[C@@H]1CCCCN1C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 ZINC000011909832 JI Annotated Anodyne CCOC(=O)[C@H]1CCCCN1C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 ZINC000011909833 JI Annotated Anodyne CC(C)c1cc(C(=O)N2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)[nH]n1 ZINC000011912080 JI Annotated Anodyne COc1cccc(Cc2nc3cccnc3n2C2CCN(C(=O)c3[nH]nc4c3CCCC4)CC2)c1 ZINC000011912164 JI Annotated Anodyne Cc1ccccc1[C@@]1(CC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)CC(=O)N(Cc2cccnc2)C1=O ZINC000011966356 JI Annotated Anodyne Cc1ccccc1[C@]1(CC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)CC(=O)N(Cc2cccnc2)C1=O ZINC000011966358 JI Annotated Anodyne COc1cccc(CN(C)C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C)c1 ZINC000011972524 JI Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)C1 ZINC000011977728 JI Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)C1 ZINC000011977736 JI Annotated Anodyne CN(C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)[C@@H]1CCOC1 ZINC000011996083 JI Annotated Anodyne CN(C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)[C@H]1CCOC1 ZINC000011996084 JI Annotated Anodyne O=C1C[C@@H](C(=O)N2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)c2ccccc21 ZINC000011996193 JI Annotated Anodyne O=C1C[C@H](C(=O)N2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)c2ccccc21 ZINC000011996194 JI Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1csc(-c3cccs3)n1)CCO2 ZINC000011996288 JI Annotated Anodyne COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1csc(-c3cccs3)n1)CCO2 ZINC000011996289 JI Annotated Anodyne Cn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)O1 ZINC000011996292 JI Annotated Anodyne Cn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)O1 ZINC000011996293 JI Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CNCCC2 ZINC000115008705 JI Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CN(C)C)c[nH]3)c3nccnc23)c1F ZINC000115294394 JI Annotated Anodyne CCC(CC)Oc1ccc2n(n1)c(N)n[n+]2CC(=O)c1cc(OC)cc(OCC2CCCCC2)c1 ZINC000115444831 JI Annotated Mild CCOc1cc(C(=O)C[n+]2nc(N)n3nc(OC(CC)CC)ccc32)cc(C(C)(C)C)c1OCC ZINC000115448068 JI Annotated Mild CCC(CC)Oc1ccc2n(n1)c(N)n[n+]2CC(=O)c1cc(OCC2CC2)cc(C(C)(C)C)c1 ZINC000115448529 JI Annotated Mild N[C@@H]1CC[C@@H](Nc2cc(-c3cnc(Cl)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115455295 JI Annotated Anodyne O[C@@H]1CC[C@@H](Nc2cc(-c3cnc(Cl)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115456038 JI Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)cnc3Cl)c(Cl)cn2)CC1 ZINC000115456164 JI Annotated Anodyne CC(=O)N1CCC[C@H](CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)n2)C1 ZINC000115456843 JI Annotated Anodyne N#CC1(CNc2nc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000115457515 JI Annotated Mild C[C@@H](Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115624251 JI Annotated Anodyne C[C@H](Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115624253 JI Annotated Anodyne COCCNc1nc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115625356 JI Annotated Anodyne CC(C)c1cc(-c2nnc(NC(=O)C(F)(F)F)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115812721 JI Annotated Anodyne CC1(C)c2[nH]nc(Nc3nccc(C(F)(F)F)n3)c2CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000115984736 JI Annotated Anodyne CC1(C)c2[nH]nc(Nc3nc(C#N)nc4ccccc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000115987536 JI Annotated Mild CC(C)(C(=O)O)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 ZINC000116147807 JI Annotated Anodyne CC(C)[C@H]1CN(CC2CCNCC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 ZINC000116184202 JI Annotated Anodyne O=C1OC[C@@H](c2ccc(F)cc2F)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116185016 JI Annotated Anodyne O=C1OC[C@@H](c2ccc(F)c(F)c2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116185855 JI Annotated Anodyne Cc1nnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cc5)nc34)cc2)[nH]1 ZINC000116186010 JI Annotated Anodyne O=C1OC[C@@H](c2ccc(F)c(F)c2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116186043 JI Annotated Anodyne Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)N4CC[C@H](O)C4)c[nH]3)c2)c1 ZINC000116236217 JI Annotated Anodyne Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)N4CC[C@@H](O)C4)c[nH]3)c2)c1 ZINC000116238010 JI Annotated Anodyne CC1(c2nc(-c3cc(F)cc(NS(C)(=O)=O)c3Cl)c(-c3ccnc(NCCC#N)n3)[nH]2)CC1 ZINC000116344650 JI Annotated Mild O=C(O)C[C@@H]1CC[C@@H](Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn2)CC1 ZINC000116600588 JI Annotated Anodyne O=C(Nc1cnc(O[C@@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1nnc(Nc2cc(F)c(F)cc2F)o1 ZINC000116601383 JI Annotated Anodyne O=C(Nc1ccc(O[C@@H]2CC[C@@H](C(=O)O)CC2)nc1F)c1nnc(Nc2cc(F)c(F)cc2F)o1 ZINC000116602203 JI Annotated Anodyne C[C@@H]1CN(c2cc(=O)c3cc(C(=O)N(C)C)cc([C@@H](C)Nc4cc(F)cc(F)c4)c3o2)CCO1 ZINC000116735032 JI Annotated Anodyne C[C@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCO[C@H](C)C3)oc12 ZINC000116735035 JI Annotated Anodyne C[C@H]1CN(c2cc(=O)c3cc(C(=O)N(C)C)cc([C@@H](C)Nc4cc(F)cc(F)c4)c3o2)CCO1 ZINC000116735041 JI Annotated Anodyne C[C@H]1CN(c2cc(=O)c3cc(C(=O)N(C)C)cc([C@H](C)Nc4cc(F)cc(F)c4)c3o2)CCO1 ZINC000116735044 JI Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc5ccccc5c4Br)C[C@H]3C2)n1 ZINC000116825734 JI Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc5ccccc5c4Br)C[C@@H]3C2)n1 ZINC000116825736 JI Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccc5ccccc5c4Br)C[C@H]3C2)n1 ZINC000116825738 JI Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1 ZINC000116826068 JI Annotated Anodyne O=C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2c1OCC1(CCOCC1)CO2 ZINC000116878968 JI Annotated Anodyne Cc1nn(-c2ncccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000117173324 JI Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Cn2ccc(N3CCNC3=O)n2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000117304235 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C(C)(C)c1ccc(Cl)cc1)NCC2 ZINC000117330330 JI Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C(C)(C)c1ccc(Cl)cc1)NCC2 ZINC000117330333 JI Annotated Anodyne C/C=C/S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117339071 JI Annotated Anodyne C/C=C/S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117339075 JI Annotated Anodyne COc1ccc([C@@H](C)NC(=O)COc2cc(C(F)F)c3c(-c4ccccc4)nn(C)c3n2)cn1 ZINC000117512957 JI Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C(F)F)c3c(-c4ccccc4)nn(C)c3n2)cn1 ZINC000117512960 JI Annotated Anodyne Cc1n[nH]c(C)c1[C@@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1 ZINC000117513083 JI Annotated Anodyne Cc1n[nH]c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1 ZINC000117513085 JI Annotated Anodyne Cc1nn(C)c(C)c1[C@@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1 ZINC000117513203 JI Annotated Anodyne Cc1nn(C)c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1 ZINC000117513207 JI Annotated Anodyne COc1ccc([C@@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cn1 ZINC000117514463 JI Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cn1 ZINC000117514465 JI Annotated Anodyne CCn1nccc1[C@@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1 ZINC000117515089 JI Annotated Anodyne CCn1nccc1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1 ZINC000117515092 JI Annotated Anodyne FC1(COc2cccc3ccc(-c4nnc5ccc(Br)cn45)nc23)CCNCC1 ZINC000117670049 JI Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(Br)cc1 ZINC000117670714 JI Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(CO)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000117671595 JI Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](C)O)sc2ncccc21 ZINC000117678431 JI Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](C)O)sc2ccncc21 ZINC000117680805 JI Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H](C)O)sc2ccncc21 ZINC000117683601 JI Annotated Anodyne O[C@H]1CCN(Cc2csc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)n2)C1 ZINC000117685931 JI Annotated Anodyne CCc1nn(Cc2cccc(OC3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117881427 JI Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-n5cnnc5C)ccn34)c12 ZINC000117883287 JI Annotated Anodyne CCc1nn(Cc2cccc(OCCCN(C)C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117884560 JI Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CN(C)C)ccn34)c12 ZINC000117893788 JI Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5nnco5)ccn34)c12 ZINC000117894312 JI Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@]3(CN)CCNC(=O)CC3)s2)c1 ZINC000117899657 JI Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@]3(CN)CCNC(=O)CC3)s2)c1 ZINC000117899658 JI Annotated Anodyne Cc1c(-c2ccccn2)nc2ncccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118092396 JI Annotated Anodyne COc1cc2nc(C)c(C)c(N3CCS(=O)(=O)c4ccc(N5CCOCC5)cc43)c2cc1Cl ZINC000118095670 JI Annotated Anodyne CN1CCC(NC(=O)c2ccc3nc(C(=O)c4ccnc(-c5cncc6ccccc56)c4)[nH]c3c2)CC1 ZINC000118101821 JI Annotated Anodyne CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000118193736 JI Annotated Anodyne CC(=O)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000118217541 JI Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000118256807 JI Annotated Anodyne CN(CCCCCCC(=O)NO)C(=O)c1ccc([C@@](O)(c2ccc(F)cc2)c2ccccn2)cc1 ZINC000118348419 JI Annotated Bother CN(CCCCCCC(=O)NO)C(=O)c1ccc([C@](O)(c2ccc(F)cc2)c2ccccn2)cc1 ZINC000118348421 JI Annotated Bother CCOC(c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1)(c1ccccn1)c1ccccn1 ZINC000118355698 JI Annotated Bother O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)F)nc12)N1CCC[C@@H](O)C1 ZINC000118386872 JI Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)F)nc12)N1CCC[C@H](O)C1 ZINC000118386891 JI Annotated Anodyne CC1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4Cl)nc23)CCNCC1 ZINC000118393322 JI Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)F)nc12)N1CCC(O)CC1 ZINC000118394158 JI Annotated Anodyne N[C@H]1C[C@@H](CO)CN(c2ccncc2Nc2cccc3ccc(-c4c(F)cccc4F)nc23)C1 ZINC000118512632 JI Annotated Anodyne COc1ncc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cc1F ZINC000118530351 JI Annotated Mild CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1 ZINC000118533377 JI Annotated Mild COc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cc1F ZINC000118538480 JI Annotated Mild CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1 ZINC000118607432 JI Annotated Anodyne CC1(C(=O)NC(C)(C)C(=O)Nc2nc(C(F)(F)F)c(C(=O)c3ccc(F)cc3)s2)CC1 ZINC000118624470 JI Annotated Anodyne CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1[C@H]1CCC(F)(F)C1 ZINC000118682360 JI Annotated Anodyne COc1ccc(N2C(=O)Cc3cc(OCCN)c(OC)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000118789041 JI Annotated Anodyne COc1ccc(N2C(=O)Cc3cc(OCCN)c(OC)cc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000118789043 JI Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3O[C@H](C)C(F)(F)F)c12 ZINC000118819016 JI Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3O[C@@H](C)C(F)(F)F)c12 ZINC000118819019 JI Annotated Anodyne COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 ZINC000118895216 JI Annotated Anodyne COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccc(C)n5)ccc42)C3)nc1 ZINC000118903090 JI Annotated Anodyne Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 ZINC000118906405 JI Annotated Anodyne Cc1nc2ccc(F)cc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(N[C@H]3CC[C@@](C)(O)CC3)n2n1 ZINC000118911074 JI Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000118915314 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000118927079 JI Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000118927092 JI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000118927106 JI Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000118930264 JI Annotated Mild CCCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]21 ZINC000118930297 JI Annotated Mild CCCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118930298 JI Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]21 ZINC000118934049 JI Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118934050 JI Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118936804 JI Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118936805 JI Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@H]42)C1 ZINC000118936806 JI Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@H]([C@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@H]42)C1 ZINC000118936807 JI Annotated Mild in-man endogenous C/C=C(\C(C)C)[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118937012 JI Annotated Anodyne in-man endogenous C/C=C(\C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118937013 JI Annotated Anodyne in-man endogenous C/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118937014 JI Annotated Anodyne in-man endogenous C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118937015 JI Annotated Anodyne in-man endogenous CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000119244446 JI Annotated Mild in-man CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000119244566 JI Annotated Mild in-man CC1=C(C)C(=O)O[C@H]([C@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000119244713 JI Annotated Mild in-man CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000119244801 JI Annotated Mild in-man C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119260840 JI Annotated Anodyne in-man C/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119260966 JI Annotated Anodyne in-man C/C=C(\C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119261059 JI Annotated Anodyne in-man C/C=C(\C(C)C)[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119261201 JI Annotated Anodyne in-man CC[C@@]1(C2CCN(Cc3cc4ccccc4o3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000012020006 JI Annotated Anodyne CC[C@]1(C2CCN(Cc3cc4ccccc4o3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000012020007 JI Annotated Anodyne CC[C@@]1(C2CCN(Cc3cc4ccccc4o3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000012020010 JI Annotated Anodyne CC[C@]1(C2CCN(Cc3cc4ccccc4o3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000012020012 JI Annotated Anodyne COc1ccc(OC)c(C(=O)N(Cc2cc3cccc(C)c3nc2N2CCC(O)CC2)C2CC2)c1 ZINC000012020860 JI Annotated Anodyne O=C(Nc1cccc(N2CCC(NCc3cnn(-c4cccc(F)c4)c3)CC2)c1)c1ccncc1 ZINC000012023022 JI Annotated Anodyne COCC(=O)Nc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c2c(c1)nc(-c1ccncc1)n2C ZINC000012026153 JI Annotated Anodyne COCC(=O)Nc1cc(C(=O)N[C@H]2CCCc3ccccc32)c2c(c1)nc(-c1ccncc1)n2C ZINC000012026156 JI Annotated Anodyne CC[C@@]1(C2CCN(Cc3ccccc3Cl)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000012028446 JI Annotated Anodyne CC[C@]1(C2CCN(Cc3ccccc3Cl)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000012028448 JI Annotated Anodyne CC[C@@]1(C2CCN(Cc3ccccc3Cl)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000012028452 JI Annotated Anodyne CC[C@]1(C2CCN(Cc3ccccc3Cl)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000012028455 JI Annotated Anodyne CC1(C)C[C@@H](C(=O)N2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)CCO1 ZINC000012030539 JI Annotated Anodyne CC1(C)C[C@H](C(=O)N2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)CCO1 ZINC000012030544 JI Annotated Anodyne Cc1nc(NCc2c(C)nn(C)c2Cl)sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1 ZINC000012031238 JI Annotated Anodyne Cc1nc(NCc2c(C)nn(C)c2Cl)sc1-c1ccn(C[C@H]2COc3ccccc3O2)n1 ZINC000012031241 JI Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000012047442 JI Annotated Anodyne COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000012047443 JI Annotated Anodyne Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2ccc4c(c2)Cc2ccccc2-4)CC3)c(C)o1 ZINC000012047789 JI Annotated Anodyne CN(C)c1ccc(CN2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)cc1 ZINC000012048030 JI Annotated Clean CCc1noc(C)c1C(=O)N1CCOc2ccc(CN3CCC[C@@H](C(=O)c4cccnc4)C3)cc2C1 ZINC000012048605 JI Annotated Anodyne CCc1noc(C)c1C(=O)N1CCOc2ccc(CN3CCC[C@H](C(=O)c4cccnc4)C3)cc2C1 ZINC000012048608 JI Annotated Anodyne Cc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 ZINC000012078079 JI Annotated Anodyne Cc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 ZINC000012078080 JI Annotated Anodyne CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C4)s1 ZINC000012078371 JI Annotated Anodyne CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C4)s1 ZINC000012078373 JI Annotated Anodyne Cc1ccc(C)c(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCCN(C)CC2)c1 ZINC000012078814 JI Annotated Anodyne COc1ccccc1[C@@H]1CN(CC(=O)NC[C@@H]2OCCc3ccccc32)Cc2ccccc2O1 ZINC000012079002 JI Annotated Anodyne COc1ccccc1[C@H]1CN(CC(=O)NC[C@@H]2OCCc3ccccc32)Cc2ccccc2O1 ZINC000012079003 JI Annotated Anodyne COc1ccccc1-c1ccnc(-n2ncc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)c2C)n1 ZINC000012079322 JI Annotated Anodyne COc1ccccc1-c1ccnc(-n2ncc(C(=O)N[C@H](c3cccnc3)C(F)(F)F)c2C)n1 ZINC000012079324 JI Annotated Anodyne CN(Cc1ccc2c(c1)CN(C(=O)c1cccc(N(C)C)c1)CCO2)Cc1cc(C2CC2)[nH]n1 ZINC000012079493 JI Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)Cc2ccc4c(c2)OCO4)C3)c1 ZINC000012080104 JI Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)Cc2ccc4c(c2)OCO4)C3)c1 ZINC000012080105 JI Annotated Anodyne Cc1cc(C)n(-c2cccc(C(=O)NC[C@@H]3Cc4cc(Cl)cc(-c5cnccn5)c4O3)c2)n1 ZINC000012127386 JI Annotated Anodyne Cc1cc(C)n(-c2cccc(C(=O)NC[C@H]3Cc4cc(Cl)cc(-c5cnccn5)c4O3)c2)n1 ZINC000012127392 JI Annotated Anodyne Oc1cc(O)cc(C[C@@H]2c3cc(O)c(O)cc3[C@H](c3ccc(O)c(O)c3)Cc3cc(O)cc(O)c32)c1 ZINC000012153204 JI Annotated Clean in-vitro biogenic Oc1cc(O)cc(C[C@H]2c3cc(O)c(O)cc3[C@H](c3ccc(O)c(O)c3)Cc3cc(O)cc(O)c32)c1 ZINC000012153205 JI Annotated Clean CC[C@@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N(C)Cc1cccc3ncccc13)C2 ZINC000012212557 JI Annotated Anodyne CC[C@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N(C)Cc1cccc3ncccc13)C2 ZINC000012212559 JI Annotated Anodyne CC[C@@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N(C)Cc1cccc3ncccc13)C2 ZINC000012212561 JI Annotated Anodyne CC[C@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N(C)Cc1cccc3ncccc13)C2 ZINC000012212564 JI Annotated Anodyne COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc2ccccc2c1 ZINC000012246609 JI Annotated Anodyne CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)CC3=CCCCC3)CC2)[C@H]1OCCOC ZINC000012282151 JI Annotated Anodyne O=C(COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cc(F)ccc1F ZINC000012311529 JI Annotated Clean Cn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000012358351 JI Annotated Anodyne CC(C)(CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21)C(=O)O ZINC000012358388 JI Annotated Anodyne CC(C)(CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21)C(=O)O ZINC000012358389 JI Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C(C)C)N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1 ZINC000012466681 JI Annotated Anodyne CN(c1ccccc1)c1ccc(/C=c2/s/c(=C(\C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1 ZINC000012470269 JI Annotated Mild CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1 ZINC000012470277 JI Annotated Mild aggregator CCOC(=O)c1c(CN(C)C)n(C)c2c(O)c(/N=N/C(N)=O)c3ccc(Br)cc3c12 ZINC000012470955 JI Annotated Clean CN(N/C=C1\C=C(Br)C=C(Br)C1=O)c1cccc(C(F)(F)F)n1 ZINC000012475346 JI Annotated Mild CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@]12C ZINC000012476729 JI Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1 ZINC000012482154 JI Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1 ZINC000012482173 JI Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)NCc3ccccc3)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000012482211 JI Annotated Mild O=C(NCc1ccccc1)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1 ZINC000012482225 JI Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)NCc3nc4ccccc4[nH]3)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000012482509 JI Annotated Mild O=S(=O)(Nc1cccc(Oc2ccc(F)cc2)c1)N1CCC(NCc2ccccc2O)CC1 ZINC000012504443 JI Annotated Clean in-vivo COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2c2ccccc2)cc1 ZINC000012509481 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2c2ccccc2)cc1 ZINC000012509526 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2c2ccccc2)cc1 ZINC000012509564 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2c2ccccc2)cc1 ZINC000012509607 JI Annotated Anodyne O=C(NCc1ccccc1)c1onc(CSc2ccncc2)c1C(=O)NCc1ccccc1 ZINC000012509652 JI Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@H](C(=O)NCc2cccc(Br)c2)N(C)[C@@H]31 ZINC000012509869 JI Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@@H](C(=O)NCc2cccc(Br)c2)N(C)[C@@H]31 ZINC000012509878 JI Annotated Anodyne Nc1nc(-c2ccc(Cl)cc2)c(/N=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000012538293 JI Annotated Clean O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 ZINC000012623724 JI Annotated Mild Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)c1cnccn1 ZINC000012716512 JI Annotated Anodyne Cc1ccc(N2C(=O)N3[C@H](c4cccc(C)c4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4[C@]3(C)C2=O)cc1 ZINC000012726471 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4cccc(Cl)c4)C(=O)N23)cc1 ZINC000012726557 JI Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4cccc(F)c4)C(=O)N23)c1 ZINC000012726647 JI Annotated Anodyne Cc1cc(SCC(=O)OCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(C)cc1Br ZINC000012924809 JI Annotated Mild Cc1cc(SCC(=O)OCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(C)cc1Br ZINC000012924816 JI Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000125580272 JI Annotated Mild COCOc1c([C@@H](OCOC)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC ZINC000013002761 JI Annotated Anodyne Cc1cccc(C)c1-n1c(=O)/c(=C/c2ccncc2)s/c1=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12 ZINC000013053329 JI Annotated Mild Cc1cccc(C)c1-n1c(=O)/c(=C\c2ccncc2)s/c1=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12 ZINC000013053332 JI Annotated Mild COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000013095932 JI Annotated Anodyne C/C(=N\NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000013108751 JI Annotated Reactive CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO ZINC000013118543 JI Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013118578 JI Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)NCc3ccccc3)O[C@H](OCCCCO)C2)c2ccccc21 ZINC000013118585 JI Annotated Anodyne C=CCOC(=O)C1=C[C@@H](c2cn(C(C)=O)c3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118587 JI Annotated Mild C=CCOC(=O)C1=C[C@H](c2cn(C(C)=O)c3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013118593 JI Annotated Mild CC(=O)n1cc([C@H]2C=C(C(=O)NCc3ccccc3)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000013118597 JI Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118600 JI Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO ZINC000013118611 JI Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO ZINC000013118613 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN/C=C1\C=Nc2ccccc21 ZINC000013119199 JI Annotated Bother COC1=C/C(=C/NNC(=O)c2ccc(COc3ccccc3Cl)o2)C=C(Br)C1=O ZINC000013119365 JI Annotated Reactive COC1=CC(=CNNC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)C=C(OC)C1=O ZINC000013120192 JI Annotated Reactive C[C@@]1(c2ccc(OCC#N)cc2)C=C(c2ccc(OCC#N)cc2)n2nc(C(F)(F)F)nc2N1 ZINC000013121943 JI Annotated Mild aggregator C[C@]1(c2ccc(OCC#N)cc2)C=C(c2ccc(OCC#N)cc2)n2nc(C(F)(F)F)nc2N1 ZINC000013121944 JI Annotated Mild aggregator O=C(C[C@@H]1SC(NN/C=C2\C=Nc3ccc(OCc4ccccc4)cc32)=NC1=O)Nc1ccccc1 ZINC000013122019 JI Annotated Anodyne O=C(C[C@H]1SC(NN/C=C2\C=Nc3ccc(OCc4ccccc4)cc32)=NC1=O)Nc1ccccc1 ZINC000013122020 JI Annotated Anodyne COC1=C/C(=C/NNC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)C=CC1=O ZINC000013122155 JI Annotated Reactive O=C(O)CCn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(-c2ccc(Br)cc2)n1 ZINC000013123224 JI Annotated Anodyne O=C1C(Br)=CC(=CNn2c(-c3ccccc3)n[nH]c2=S)C=C1Br ZINC000013124323 JI Annotated Mild O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccn(Cc2ccc(Cl)cc2)n1 ZINC000013125023 JI Annotated Reactive O=C1C(Br)=CC(Br)=C/C1=C\Nn1c(-c2ccccc2)n[nH]c1=S ZINC000013125678 JI Annotated Mild O=C1C(Br)=C/C(=C\Nn2c(-c3ccccc3)n[nH]c2=S)C(Br)=C1O ZINC000013126102 JI Annotated Mild O=C1C(Br)=C(O)C(Br)=C/C1=C\Nn1c(-c2ccccc2)n[nH]c1=S ZINC000013126103 JI Annotated Mild COC1=C(Br)C(=O)/C(=C/Nn2c(-c3ccccc3)n[nH]c2=S)C=C1Br ZINC000013130734 JI Annotated Mild O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)CC1 ZINC000013136056 JI Annotated Anodyne O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)CC1 ZINC000013136057 JI Annotated Anodyne COc1cc(/C=N/Nc2nc(Nc3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)cc(OC)c1OC ZINC000013136217 JI Annotated Mild CCN(Cc1ccccc1)c1ccc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013136385 JI Annotated Anodyne aggregator Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(C(=O)O)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000013136957 JI Annotated Anodyne Cn1cnnc1SCc1ccc(C(=O)N/N=C(/CCC(=O)O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013138954 JI Annotated Reactive Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=c1/s/c(=C\c2ccccn2)c(=O)n1-c1ccc(Cl)cc1 ZINC000013139819 JI Annotated Mild Cc1ccccc1OCC(=O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000013140154 JI Annotated Anodyne aggregator COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 ZINC000013140489 JI Annotated Mild COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 ZINC000013140491 JI Annotated Mild CC(=O)Nc1ccc(NC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 ZINC000013143205 JI Annotated Mild CN1C(=S)S[C@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2c2ccc(Cl)cc2)C1(C)C ZINC000013143947 JI Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O ZINC000013144217 JI Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O ZINC000013144218 JI Annotated Anodyne COc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000013146581 JI Annotated Anodyne CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013153013 JI Annotated Anodyne CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013153014 JI Annotated Anodyne CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013153015 JI Annotated Anodyne O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(F)cc1 ZINC000013153020 JI Annotated Anodyne Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O ZINC000013153039 JI Annotated Anodyne Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@@H]2C1=O ZINC000013153040 JI Annotated Anodyne O=C1NC(=O)[C@@](CCc2ccncc2)(CCc2ccccn2)C(=O)N1c1ccc(Br)cc1 ZINC000013153350 JI Annotated Anodyne O=C1NC(=O)[C@](CCc2ccncc2)(CCc2ccccn2)C(=O)N1c1ccc(Br)cc1 ZINC000013153351 JI Annotated Anodyne Cc1cc(Br)ccc1SCC(=O)OCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000013163178 JI Annotated Mild Cc1cc(Br)ccc1SCC(=O)OCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000013163179 JI Annotated Mild O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(C(=O)O)cc2)cc1 ZINC000013194607 JI Annotated Anodyne O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(C(=O)O)cc2)cc1 ZINC000013194609 JI Annotated Anodyne Cc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)n1 ZINC000013238476 JI Annotated Anodyne C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]12C ZINC000013298249 JI Annotated Mild in-vitro CC(C)=CC[C@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000013328131 JI Annotated Mild CC(C)(O)CCc1c(-c2cc(O)c(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000013373234 JI Annotated Clean in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](OC(C)=O)[C@@H]3C(C)(C)OC(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374448 JI Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@H](OC(C)=O)[C@@H]3C(C)(C)OC(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374450 JI Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](OC(C)=O)[C@@H]3C(C)(C)OC(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374452 JI Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](OC(C)=O)[C@@H]3C(C)(C)OC(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374454 JI Annotated Anodyne in-man COc1c2c(c(C(=O)c3ccccc3)c3oc(=O)cc(-c4ccccc4)c13)O[C@@H](C(C)(C)O)[C@H]2O ZINC000013376312 JI Annotated Anodyne CCCCCc1cc(O)c2c(c1)C[C@@H](O)c1c-2cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000013376477 JI Annotated Clean in-vitro CCCCCc1cc(O)c2c(c1)C[C@H](O)c1c-2cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000013376478 JI Annotated Clean in-vitro COc1cc([C@@H]2COc3cc(OC)c4c(c3[C@@H]2O)CCc2cc(O)ccc2-4)cc(OC)c1O ZINC000013378535 JI Annotated Anodyne in-vitro biogenic COc1cc([C@H]2COc3cc4c(cc3[C@@H]2O)-c2c(cc(O)cc2OC)CC4)cc(OC)c1O ZINC000013378544 JI Annotated Anodyne CO/C(=C\c1ccc(O)cc1)C(=O)N/C=C/c1cc(Br)c(O)c(Br)c1 ZINC000013378881 JI Annotated Anodyne Oc1cc([C@H]2OCc3cc(O)c(O)c(Br)c32)c(Br)c(Br)c1O ZINC000013379392 JI Annotated Clean CCCCC/C=C\C[C@]12C=C(Cl)C(=O)[C@H]1[C@H](OC(C)=O)[C@H]([C@@H](CCCC(=O)OC)OC(C)=O)O2 ZINC000013383550 JI Annotated Mild CC#C/C=C\C=C\C[C@@H](O)/C(Br)=C(C)/C=C/C=C\C=C(\C)[C@H](O)C(C)(C)C(N)=O ZINC000013398898 JI Annotated Mild CC#C/C=C\C=C\C[C@@H](O)/C(Br)=C(C)/C=C/C=C\C=C(\C)[C@@H](O)C(C)(C)C(N)=O ZINC000013398908 JI Annotated Mild CCCCCC[C@@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C4=C(C)C[C@H](O)CC4=O)OC=C3[C@@H]12 ZINC000013405154 JI Annotated Mild COc1c(Br)cc(Br)c(CCN2CO[C@H](C)C2)c1Br ZINC000013407407 JI Annotated Anodyne COc1c(Br)cc(Br)c(CCN2CO[C@@H](C)C2)c1Br ZINC000013407410 JI Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)c(CC=C(C)C)c2c1/C=c1\[nH]c(=O)c(=C)[nH]c1=O ZINC000013411236 JI Annotated Mild CC[C@@H](C)C(=O)O[C@H]1c2cc3c(c4c2[C@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@H](C)[C@@H]1C)OCO3 ZINC000013433104 JI Annotated Mild COc1ccc2c(c1OC1CCCC1)CN(S(C)(=O)=O)N=C2Cc1c(Cl)cncc1Cl ZINC000013435994 JI Annotated Anodyne O=[N+]([O-])c1cc([C@H](NCc2ccccc2)[P@](=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1 ZINC000013440531 JI Annotated Bother O=[N+]([O-])c1cc([C@@H](NCc2ccccc2)[P@](=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1 ZINC000013440535 JI Annotated Bother CC[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000013443656 JI Annotated Anodyne in-vitro CC[C@@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000013443660 JI Annotated Anodyne O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCCC2 ZINC000013447892 JI Annotated Anodyne O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCSC2 ZINC000013447901 JI Annotated Anodyne O=[S@](Cc1nccc(OCC(F)(F)F)c1OCC(F)(F)F)c1nc2cscc2[nH]1 ZINC000013448812 JI Annotated Anodyne O=[S@@](Cc1nccc(OCC(F)(F)F)c1OCC(F)(F)F)c1nc2cscc2[nH]1 ZINC000013448815 JI Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(I)c21 ZINC000013455385 JI Annotated Anodyne COc1c(CC=C(C)C)cc2c(c1O)C[C@@H](C(C)(C)O)[C@@H]2CC(=O)c1c(O)cc(O)cc1O ZINC000013461254 JI Annotated Anodyne COc1c(O)ccc([C@H]2COc3cc(Oc4cc(O)c5c(=O)ccoc5c4)cc(O)c3C2=O)c1OC ZINC000013461411 JI Annotated Anodyne O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000013470490 JI Annotated Anodyne Cc1ccnc(NCCCCC(=O)NNC(=O)C[C@@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)c1 ZINC000013472608 JI Annotated Reactive Cc1ccnc(NCCCCC(=O)NNC(=O)C[C@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)c1 ZINC000013472609 JI Annotated Reactive Cc1ccnc(NCCCCC(=O)NNC(=O)C[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013472610 JI Annotated Reactive Cc1ccnc(NCCCCC(=O)NNC(=O)C[C@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013472611 JI Annotated Reactive N#Cc1ccc2cc1Oc1cccc(c1)-c1ccccc1N1CC[C@@H](NCc3cncn3C2)C1=O ZINC000013473913 JI Annotated Mild CN1CCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N2CC[C@H]1C2=O ZINC000013473917 JI Annotated Mild CN1CCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N2CC[C@@H]1C2=O ZINC000013473918 JI Annotated Mild Cc1cn(C)c(-c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)n1 ZINC000013474070 JI Annotated Anodyne O=C(N[C@H]1CCc2ccccc21)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000013478407 JI Annotated Bother O=C(N[C@@H]1CCc2ccccc21)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000013478409 JI Annotated Bother O=C(N[C@H]1CCc2ccccc21)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000013478411 JI Annotated Bother CCCCCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478684 JI Annotated Anodyne CCCCCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478686 JI Annotated Anodyne COc1c(-c2ccccc2)oc2c3c(ccc2c1=O)OC(C)(C)[C@H](OC(C)=O)[C@@H]3OC(C)=O ZINC000013480487 JI Annotated Anodyne COc1c(-c2ccccc2)oc2c3c(ccc2c1=O)OC(C)(C)[C@@H](OC(C)=O)[C@@H]3OC(C)=O ZINC000013480489 JI Annotated Anodyne COc1cc2[nH]c(-c3ccc4c(c3)[C@H](N(C)C(=O)Cn3ccnc3)CC4)cc(=O)c2cc1-c1cnco1 ZINC000013487618 JI Annotated Anodyne COc1cc2[nH]c(-c3ccc4c(c3)[C@@H](N(C)C(=O)Cn3ccnc3)CC4)cc(=O)c2cc1-c1cnco1 ZINC000013487619 JI Annotated Anodyne CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1C(C)(C)C ZINC000013489670 JI Annotated Mild CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccccc1 ZINC000013489671 JI Annotated Mild CC(=O)N1CCN(Cc2cc(C)cc(Nc3nccc(-n4ccnc4-c4ccccc4)n3)c2)CC1 ZINC000013489745 JI Annotated Anodyne COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CCOCC3)o2)ccc1-c1cocn1 ZINC000013490418 JI Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000013493293 JI Annotated Anodyne CCNC(=O)Cc1c(C)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000013494044 JI Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)C1 ZINC000013496341 JI Annotated Anodyne COc1cccc2c(C(=O)N(Cc3c(F)cccc3Cl)C(C)C)nn(CCN3CCOCC3)c12 ZINC000013519852 JI Annotated Anodyne COc1cccc2c3c(=O)n([C@@H](c4ccccc4)c4ccccn4)ccc3n(CCN3CCOCC3)c12 ZINC000013519859 JI Annotated Anodyne COc1cccc2c3c(=O)n([C@H](c4ccccc4)c4ccccn4)ccc3n(CCN3CCOCC3)c12 ZINC000013519863 JI Annotated Anodyne O=C1C[C@@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000013521521 JI Annotated Bother O=C1C[C@@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccncc1 ZINC000013521524 JI Annotated Bother O=C1C[C@@H](c2cccc(Br)c2)[C@H](NO)[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000013521532 JI Annotated Anodyne N[C@H]1[C@H](c2cccc(Br)c2)CC(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1 ZINC000013521536 JI Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000013521551 JI Annotated Bother O=C1C[C@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000013521554 JI Annotated Bother Nc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CC(=O)N2Cc2cccnc2)ccc1O ZINC000013521573 JI Annotated Bother O=C1C[C@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)c(O)c2)N1Cc1cccnc1 ZINC000013521577 JI Annotated Clean CC[C@@]1(c2cccc(Oc3cc([C@@H](O)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523486 JI Annotated Mild CC[C@]1(c2cccc(Oc3cc([C@@H](O)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523492 JI Annotated Mild CC[C@@]1(c2cccc(Oc3cc([C@H](O)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523497 JI Annotated Mild CC[C@]1(c2cccc(Oc3cc([C@H](O)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523503 JI Annotated Mild CC[C@@]1(c2cccc(Oc3cc([C@@H](N)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523508 JI Annotated Mild CC[C@]1(c2cccc(Oc3cc([C@@H](N)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523512 JI Annotated Mild CC[C@@]1(c2cccc(Oc3cc([C@H](N)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523516 JI Annotated Mild CC[C@]1(c2cccc(Oc3cc([C@H](N)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523520 JI Annotated Mild CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)/N=N\c1c(O)[nH]c2ccc(Br)cc12 ZINC000013523733 JI Annotated Clean O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3C(=O)OCc3ccccc3)oc12 ZINC000013526449 JI Annotated Bother COc1cc2nc3c(c(N)c2cc1OC)CC[C@H](CNC(=O)c1ccccc1C(F)(F)F)C3 ZINC000013528640 JI Annotated Anodyne CCCCn1cnnc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)c(Cl)cc1S ZINC000013533026 JI Annotated Anodyne Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3nncn3CC(C)C)c(S)cc2Cl)cc1 ZINC000013533039 JI Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000013533233 JI Annotated Anodyne Cn1ccc2ccc3c4[nH]c5c(CCN6CCSCC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000013535142 JI Annotated Bother CCOC(=O)O[C@H]1C=C[C@@]2(CCN(C)C(=O)OCC)c3c(CCl)ccc(OC)c3O[C@H]2C1 ZINC000013535617 JI Annotated Reactive CN(C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3cc(C(F)(F)F)ccc3F)n2)cc1 ZINC000013538029 JI Annotated Anodyne CN(C)C[C@H](O)COc1ccc(Nc2nccc(Nc3cc(C(F)(F)F)ccc3F)n2)cc1 ZINC000013538031 JI Annotated Anodyne O=S(=O)(O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3)nc(-c3ccc(O)cc3)cn12 ZINC000013543846 JI Annotated Anodyne in-vitro O=C(CCC1CCCCC1)NCCN1C2=NC[C@@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1 ZINC000013545599 JI Annotated Anodyne CC(C)[C@H]1CN=C2N1C[C@@H](Cc1ccc(O)cc1)N2C[C@H](C)NC(=O)CCC1CCCCC1 ZINC000013545619 JI Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C(C)C)N2CCNC(=O)CCC2CCCCC2)cc1 ZINC000013545653 JI Annotated Anodyne O=C(CCC1CCCCC1)NCCN1C2=NC[C@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1 ZINC000013545664 JI Annotated Anodyne CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@@]2(C)CC[C@@H]1[C@@]12COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)O ZINC000013552159 JI Annotated Anodyne in-vitro CC1=C2CC(=O)O[C@H](c3ccoc3)[C@@]2(C)CC[C@@H]1[C@@]12COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)O ZINC000013552162 JI Annotated Anodyne in-vitro CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]12COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)O ZINC000013552163 JI Annotated Anodyne in-vitro CC1=C2CC(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]12COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)O ZINC000013552165 JI Annotated Anodyne in-vitro COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CN(C)CC3CC3)c2=O)c1 ZINC000013553294 JI Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CN(C)CC3CC3)c2=O)c1 ZINC000013553295 JI Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCC(C)C)c2=O)c1 ZINC000013553298 JI Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCC(C)C)c2=O)c1 ZINC000013553299 JI Annotated Anodyne Cn1cc(C#N)c2ccc(Nc3ncc(-c4cccc(CNC(=O)O[C@@H]5CCOC5)c4)o3)cc21 ZINC000013553714 JI Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4cccc(CNC(=O)O[C@H]5CCOC5)c4)o3)cc21 ZINC000013553715 JI Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4CNC(=O)O[C@@H]4CCOC4)o3)cc21 ZINC000013553716 JI Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4CNC(=O)O[C@H]4CCOC4)o3)cc21 ZINC000013553717 JI Annotated Mild CC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000013554387 JI Annotated Bother C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000013554399 JI Annotated Reactive CCOP(=O)(OCC)c1ccc(NC(=O)[C@H]2Cc3cc(OC)c(OC)cc3C(=O)CS2)cc1 ZINC000013556796 JI Annotated Anodyne CCOP(=O)(OCC)c1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@H](C)S2)OCO4)cc1 ZINC000013556816 JI Annotated Anodyne COP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@H](C)S2)OCO4)cc1)OC ZINC000013556817 JI Annotated Anodyne CCc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1 ZINC000013557094 JI Annotated Anodyne C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000013558128 JI Annotated Anodyne COC(=O)NCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000013558588 JI Annotated Anodyne CCOC(=O)NCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000013558589 JI Annotated Anodyne CN(C)c1ccc(-c2nc3ccc(I)cn3c2I)cc1 ZINC000013558820 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@@H]1CCCN(CCCOc3ccc4[nH]ccc4c3)C1)CC2 ZINC000013558963 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H]1CCCN(CCCOc3ccc4[nH]ccc4c3)C1)CC2 ZINC000013558964 JI Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCCCO[N+](=O)[O-])nn2C2CCCCC2)cc1 ZINC000013560527 JI Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(/C(CCCCCO[N+](=O)[O-])=N\O)nn2C2CCCCC2)cc1 ZINC000013560543 JI Annotated Mild CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)/N=N/c1c(O)[nH]c2cc(Br)ccc12 ZINC000013570697 JI Annotated Clean C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3 ZINC000013572660 JI Annotated Mild Cc1cccc(COc2nn3c(-c4nc(-c5cccnc5)no4)nnc3c3c2C2CCC3CC2)n1 ZINC000013580817 JI Annotated Anodyne Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1 ZINC000013580819 JI Annotated Anodyne NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc4ccccc4)cc32)cn1 ZINC000013580951 JI Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nnnn21 ZINC000013584235 JI Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nnnn21 ZINC000013584236 JI Annotated Anodyne COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@H](C)C3)cc12 ZINC000013587197 JI Annotated Anodyne COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@@H](C)C3)cc12 ZINC000013587198 JI Annotated Anodyne COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@@H](C)C3)cc12 ZINC000013587199 JI Annotated Anodyne COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@H](C)C3)cc12 ZINC000013587200 JI Annotated Anodyne O=[N+]([O-])c1cccc(-c2ccc(OC[C@@H](CCc3ccncc3)N3CCCS3(=O)=O)cc2)c1 ZINC000013587492 JI Annotated Bother O=[N+]([O-])c1cccc(-c2ccc(OC[C@H](CCc3ccncc3)N3CCCS3(=O)=O)cc2)c1 ZINC000013587493 JI Annotated Bother CC1(C)NC(=O)N([C@@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000013587505 JI Annotated Bother CC1(C)NC(=O)N([C@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000013587506 JI Annotated Bother O=C(O)C[C@@H](c1cnc2ccccc2c1)N1CC[C@@H](CCCc2ccc3c(n2)NCCC3)C1=O ZINC000013587682 JI Annotated Anodyne O=C(O)C[C@@H](c1cnc2ccccc2c1)N1CC[C@H](CCCc2ccc3c(n2)NCCC3)C1=O ZINC000013587683 JI Annotated Anodyne Cn1nnnc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587817 JI Annotated Anodyne Cn1nnnc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587818 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2sc3c(c2C#N)CCC3)c1 ZINC000013588567 JI Annotated Mild CCC(CC)(CCC#N)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588832 JI Annotated Mild CCC(CC)(CCC#N)[C@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588833 JI Annotated Mild O=CN(O)CCCCCC(C(=O)Nc1cnc2ccccc2c1)C(=O)Nc1cnc2ccccc2c1 ZINC000013588983 JI Annotated Anodyne O=CN(O)CCCCCC(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1 ZINC000013588984 JI Annotated Anodyne CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013601042 JI Annotated Mild O=C(NCCCO)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013602533 JI Annotated Anodyne CCOC(=O)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C ZINC000013602539 JI Annotated Anodyne O=C1c2ccccc2S(=O)(=O)N1COP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000013602811 JI Annotated Anodyne CC(=O)S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C(=O)Oc2cccc3c2OCCO3)C1 ZINC000013607952 JI Annotated Anodyne COc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000013608696 JI Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1 ZINC000013609617 JI Annotated Anodyne Oc1c(I)cc(/C=N/Oc2ccccc2)cc1I ZINC000013610901 JI Annotated Mild O=S(=O)(Nc1ccc2c(ccn2CCN2CCCCC2)c1)c1c(Cl)nc2sccn12 ZINC000013611687 JI Annotated Anodyne Cc1ncc(-c2cnc(N3Cc4c(nc5ccccc5c4O)[C@@H]3c3ccc4c(c3)CCO4)nc2)n1C ZINC000013612969 JI Annotated Anodyne Cc1ncc(-c2cnc(N3Cc4c(nc5ccccc5c4O)[C@H]3c3ccc4c(c3)CCO4)nc2)n1C ZINC000013612972 JI Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO ZINC000013634688 JI Annotated Anodyne O=C(C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634695 JI Annotated Anodyne CC(C)(C)[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000013634725 JI Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3csc4ccccc34)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013634800 JI Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634944 JI Annotated Anodyne CCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S ZINC000013642235 JI Annotated Anodyne C=CCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S ZINC000013642250 JI Annotated Mild Brc1nc2n(c1Br)N=C(c1ccccc1)c1cc3c(cc1C2)OCO3 ZINC000013647807 JI Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccccc3C#N)c(F)c2)C(=O)O1 ZINC000013648788 JI Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cccc(C#N)c3)c(F)c2)C(=O)O1 ZINC000013648791 JI Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccc(C#N)cc3)c(F)c2)C(=O)O1 ZINC000013648793 JI Annotated Mild CCN(CC)C1=NS(=O)(=O)C([C@@H]2CC(c3c(C)cccc3C)=NO2)=C1c1ccc(OC)cc1 ZINC000013648865 JI Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C([C@H]2CC(c3c(C)cccc3C)=NO2)=C1c1ccc(OC)cc1 ZINC000013648867 JI Annotated Anodyne CCC(=C/[C@H](C)CCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000013648985 JI Annotated Anodyne CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000013650011 JI Annotated Bother C=CCNc1nc(NCC=C)nc(NN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000013650719 JI Annotated Mild CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@@H](OCc2ccc(CO)cc2)C1 ZINC000013656765 JI Annotated Anodyne O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656774 JI Annotated Anodyne O=C(C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656815 JI Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](c3csc4ccccc34)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656924 JI Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)NCc3ccccc3)O[C@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000013656953 JI Annotated Mild O=C(NCc1ccccc1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 ZINC000013657018 JI Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657307 JI Annotated Anodyne O=C(NC1CC1)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013657363 JI Annotated Anodyne C=CCCN([C@H](CC(C)C)C(=O)OC)S(=O)(=O)c1cc(Br)ccc1Br ZINC000013659625 JI Annotated Mild C=CCCN([C@@H](CC(C)C)C(=O)OC)S(=O)(=O)c1cc(Br)ccc1Br ZINC000013659627 JI Annotated Mild CCC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660414 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660416 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660424 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660426 JI Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2C(=O)[C@@]32CC(c3cccnc3)=NO2)s1 ZINC000013660461 JI Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2C(=O)[C@]32CC(c3cccnc3)=NO2)s1 ZINC000013660463 JI Annotated Anodyne O=C(c1ccoc1)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000013660471 JI Annotated Anodyne O=C(c1ccoc1)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000013660473 JI Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000013660498 JI Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000013660501 JI Annotated Anodyne O=C(c1ccoc1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660511 JI Annotated Anodyne O=C(c1ccoc1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660514 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)cc1 ZINC000013660709 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)cc1 ZINC000013660711 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)cc1 ZINC000013660713 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)cc1 ZINC000013660716 JI Annotated Anodyne O=C(NCc1ccccc1)c1onc(CSc2ccccn2)c1C(=O)NCc1ccccc1 ZINC000013660825 JI Annotated Anodyne COc1cc(OC)c2c(C)cc(=O)oc2c1[C@@H](CCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000013661160 JI Annotated Anodyne COc1cc(OC)c2c(C)cc(=O)oc2c1[C@H](CCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000013661162 JI Annotated Anodyne CCN1c2ncc(CCOc3ccc(C(=O)O)cc3Br)cc2C(=O)N(C)c2cccnc21 ZINC000013671796 JI Annotated Anodyne CCN1c2ncc(CCOc3ccc(CCC(=O)O)cc3C)cc2C(=O)N(C)c2cccnc21 ZINC000013671800 JI Annotated Anodyne COC(=O)c1cc(/C(=C\CCN2CCOC2=O)c2ccc(OC)c(OC)c2)cc(C)c1OC ZINC000013673829 JI Annotated Anodyne COC(=O)c1cc(/C(=C/CCN2CCOC2=O)c2ccc(OC)c(OC)c2)cc(C)c1OC ZINC000013673831 JI Annotated Anodyne O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(C(=O)O)cc1OCC(F)(F)F ZINC000013673985 JI Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccccc4)[C@@H]2O3)cc1 ZINC000013675737 JI Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccccc4)[C@@H]2O3)cc1 ZINC000013675739 JI Annotated Anodyne COc1ccc(CS(=O)(=O)c2nc(O)c(C)c(Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000013677591 JI Annotated Anodyne Cc1c(O)nc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nc1Cc1c(Cl)cccc1Cl ZINC000013677593 JI Annotated Bother CN(c1ccccc1)[C@@H]1c2ccccc2N/C(=N\CCCNCCCCNCCCN)C1(C)C ZINC000013678612 JI Annotated Mild CN(c1ccccc1)[C@H]1c2ccccc2N/C(=N\CCCNCCCCNCCCN)C1(C)C ZINC000013678614 JI Annotated Mild CNc1ccc([C@@H]2c3ccccc3N/C(=N\CCCNCCCCNCCCN)C2(C)C)cc1 ZINC000013678623 JI Annotated Mild CNc1ccc([C@H]2c3ccccc3N/C(=N\CCCNCCCCNCCCN)C2(C)C)cc1 ZINC000013678625 JI Annotated Mild Cc1cc(N2CCS(=O)CC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013679752 JI Annotated Anodyne O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1NS(=O)(=O)c1cccs1 ZINC000013680740 JI Annotated Clean C=CCN1C=C2C(=O)[C@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000013687436 JI Annotated Mild C=CCN1C=C2C(=O)[C@@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000013687441 JI Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(C3CC3)C=C2C1=O ZINC000013687445 JI Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(C3CC3)C=C2C1=O ZINC000013687451 JI Annotated Mild CC(C)=NNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013726514 JI Annotated Mild COc1ccc(-c2nc(C(=O)N3CCN(C(=O)NC(C)C)CC3)sc2-c2ccc(OC)cc2)cc1 ZINC000013735868 JI Annotated Anodyne COc1cc(CCNCc2ccc(I)cc2)c(OC)cc1Br ZINC000013737383 JI Annotated Anodyne CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F ZINC000013740053 JI Annotated Anodyne CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C(F)(F)F ZINC000013740054 JI Annotated Anodyne NCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740062 JI Annotated Anodyne N=C(N)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740065 JI Annotated Anodyne Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(COCC(C)C)nn(C)c3N(C)C(=O)C2)cc1 ZINC000013743177 JI Annotated Anodyne CC(C)c1cccc(C(C)C)c1N/C(O)=N\S(=O)(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000013747407 JI Annotated Mild O=C1N(Cc2ccccc2)[C@H](Cc2ccoc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccoc2)N1Cc1ccccc1 ZINC000013756080 JI Annotated Anodyne CCC(CC)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000013756565 JI Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1SC[C@@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C ZINC000013756960 JI Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1SC[C@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C ZINC000013756962 JI Annotated Anodyne CCOc1ccc(F)c(CCNC(=S)Nc2ccc(I)cn2)c1Cl ZINC000013759862 JI Annotated Anodyne Cn1cnc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1 ZINC000013761673 JI Annotated Anodyne Cn1cnc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1 ZINC000013761674 JI Annotated Anodyne CCC[C@@H](c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761715 JI Annotated Anodyne CCC[C@H](c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761716 JI Annotated Anodyne CC(C)[C@@H](c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761717 JI Annotated Anodyne CC(C)[C@H](c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761718 JI Annotated Anodyne CC(=O)SCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000013762196 JI Annotated Anodyne CN1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)CC1 ZINC000013778945 JI Annotated Anodyne CN1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)CC1 ZINC000013778947 JI Annotated Anodyne CN1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4c(Cl)ccnc43)CC2)CC1 ZINC000013778948 JI Annotated Anodyne CN1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4c(Cl)ccnc43)CC2)CC1 ZINC000013778949 JI Annotated Anodyne CN1CCC[C@@H](CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)C1 ZINC000013778974 JI Annotated Anodyne CN1CCC[C@H](CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)C1 ZINC000013778975 JI Annotated Anodyne O=C(N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)n1ccnc1 ZINC000013778998 JI Annotated Anodyne O=C(N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)n1ccnc1 ZINC000013779000 JI Annotated Anodyne CC(C)=CCN1C(=NC#N)N(CC=C(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000013779352 JI Annotated Mild CC(C)CCN1C(=NC#N)N(CCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000013779353 JI Annotated Mild CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2ccc(I)nc21 ZINC000013780551 JI Annotated Anodyne CCN1c2ncc(CCc3cccc(NC(N)=O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780554 JI Annotated Anodyne CCN1c2ncc(CCc3ccc(NS(C)(=O)=O)cc3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780555 JI Annotated Anodyne CCN1c2ncc(CCc3cccc(NS(C)(=O)=O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780556 JI Annotated Anodyne CCN1c2ncc(COc3cccc(C(=O)OC)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780563 JI Annotated Anodyne CCN1c2ncc(COc3ccc(C(=O)OC)cc3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780564 JI Annotated Anodyne CCN1c2ncc(COc3cc[n+]([O-])c(C(F)(F)F)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780573 JI Annotated Anodyne Cc1cn(-c2cc(Cl)ccc2CCCCCC[C@@H](O)C[C@](O)(CC(=O)O)C(=O)O)cc1C ZINC000013781081 JI Annotated Anodyne C=CC[C@H]1C(=O)N(S(=O)(=O)c2cccc3ccccc23)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]21 ZINC000013781265 JI Annotated Mild C=CC[C@H]1C(=O)N(S(=O)(=O)c2cccc3ccccc23)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]21 ZINC000013781266 JI Annotated Mild O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2cccc(-n3cccn3)n2)CC1 ZINC000013782300 JI Annotated Anodyne O=C(O)C[C@@H]1Nc2cc(/C=C\CCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O ZINC000013782905 JI Annotated Anodyne O=C(O)C[C@H]1Nc2cc(/C=C\CCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O ZINC000013782906 JI Annotated Anodyne O=C(O)C[C@@H]1Nc2cc(CCCCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O ZINC000013782907 JI Annotated Anodyne O=C(O)C[C@H]1Nc2cc(CCCCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O ZINC000013782908 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@H]2C(=O)c3c(OC)cc(OC)cc3O[C@]21c1ccc(OC)cc1 ZINC000013783073 JI Annotated Anodyne COC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2C(=O)c3c(OC)cc(OC)cc3O[C@]21c1ccc(OC)cc1 ZINC000013783074 JI Annotated Anodyne CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)cc21 ZINC000013795552 JI Annotated Anodyne CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)cc21 ZINC000013795556 JI Annotated Anodyne COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4ccc(=O)c5ccccc54)c3)c2cc1OC ZINC000013795880 JI Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(N3CCC3)n2)CC1 ZINC000013797244 JI Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013797264 JI Annotated Anodyne N#CC1(CNCc2cccc(-n3cccn3)n2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000013797271 JI Annotated Mild Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1-n1cccn1 ZINC000013797318 JI Annotated Anodyne CCOC(=O)CCCn1c(Nc2ccc(N=[N+]=[N-])cc2)nc2cc(OC)c(OC)cc2c1=O ZINC000013801000 JI Annotated Mild COc1ccc(C(=O)C(=O)N2CCN(Cc3c[nH]cn3)c3ccc(-c4ccccc4)cc3C2)cc1 ZINC000013803083 JI Annotated Anodyne CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3C)C2)cc1 ZINC000013809655 JI Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N=C(O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N/Cc3ccccc3)OC(=O)N2C1=O ZINC000013812882 JI Annotated Mild CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1CC1CCCCC1 ZINC000013813382 JI Annotated Anodyne N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 ZINC000013813421 JI Annotated Mild CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 ZINC000013813455 JI Annotated Anodyne C[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000013813657 JI Annotated Anodyne aggregator CC[C@@H]1C(c2cccc(C)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000013813759 JI Annotated Anodyne aggregator CC[C@@H]1C(c2ccc(F)cc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000013814046 JI Annotated Anodyne aggregator COc1cccc([C@@H]2Oc3ccc(OC)cc3C[C@H]2O/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013815142 JI Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2O/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013815145 JI Annotated Mild CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CO1 ZINC000013815516 JI Annotated Mild CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CO1 ZINC000013815521 JI Annotated Mild CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 ZINC000013815524 JI Annotated Mild CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 ZINC000013815530 JI Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CCCC1 ZINC000013816683 JI Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CCCC1 ZINC000013816685 JI Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1Cc1ccccc1 ZINC000013816781 JI Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1Cc1ccccc1 ZINC000013816785 JI Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1 ZINC000013816835 JI Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1 ZINC000013816838 JI Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1c1ccccc1 ZINC000013816849 JI Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1c1ccccc1 ZINC000013816851 JI Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1C1CCCCC1 ZINC000013816854 JI Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1C1CCCCC1 ZINC000013816855 JI Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CCc3ccccn3)C=C2C1=O ZINC000013817129 JI Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CCc3ccccn3)C=C2C1=O ZINC000013817133 JI Annotated Mild COCC(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@@H](c1ccccc1)C3 ZINC000013817429 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCc3nc(COc4ccccc4)c4c(c3C2)CO[C@@H](C)C4)cc1 ZINC000013817469 JI Annotated Anodyne COc1cccc(CC(=O)N2CCc3nc(COc4ccccc4)c4c(c3C2)CO[C@@H](C)C4)c1 ZINC000013817499 JI Annotated Anodyne C[C@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(S(=O)(=O)c1ccc(Cl)c2nonc12)CC3 ZINC000013817545 JI Annotated Anodyne C=CC1=C2C=C(C3CC3)N(CCCOC(C)C)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817658 JI Annotated Mild C=CC1=C2C=C(C3CC3)N(CCCOC(C)C)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817661 JI Annotated Mild C=CC1=C2C=C(C3CC3)N(Cc3ccc4c(c3)OCO4)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817675 JI Annotated Mild C=CC1=C2C=C(C3CC3)N(Cc3ccc4c(c3)OCO4)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817678 JI Annotated Mild COC(=O)N1[C@H]2CC(=O)O[C@@H]3c4cc5c(cc4[C@]1(C)[C@@]3(Br)c1ccccc12)OCO5 ZINC000013817861 JI Annotated Anodyne C=CC1=C2C=C(C3CC3)N(CCCN(CC)CC)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817899 JI Annotated Mild C=CC1=C2C=C(C3CC3)N(CCCN(CC)CC)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817902 JI Annotated Mild Cc1nnc2nc(-c3ccccc3F)c3cc(C#CCN4C(=O)c5ccccc5C4=O)ccc3n12 ZINC000013821110 JI Annotated Mild O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O)c1ccccc1 ZINC000013821977 JI Annotated Anodyne O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O)c1ccc(F)cc1 ZINC000013821983 JI Annotated Anodyne CC(C)C[C@@H](C)N1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000013821989 JI Annotated Anodyne CC(C)C[C@H](C)N1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000013821991 JI Annotated Anodyne O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(Cc1ccccc1)C2=O)c1ccccc1 ZINC000013822005 JI Annotated Anodyne CCOC(=O)N(CC(=O)O)C(=O)c1c(Br)ccc2c(C(F)(F)F)c(OC)ccc12 ZINC000013823619 JI Annotated Anodyne CCOC(=O)N(CC(=O)O)C(=O)c1cc(Br)cc2c(Br)c(OC)ccc12 ZINC000013823623 JI Annotated Anodyne Cc1cc(Cl)cc(CCCOc2ccc(Cl)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)O ZINC000013824696 JI Annotated Anodyne CCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2cc(C(C)C)ccc(OC)c1-2 ZINC000013826259 JI Annotated Anodyne CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2C)ncnc1N(C)C ZINC000013827612 JI Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@]2(C(F)(F)F)C[C@H](CCc3ccccc3)CCCO2)cc1 ZINC000013829052 JI Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)C/C(=C\Cc3ccccc3)CCCO2)cc1 ZINC000013829084 JI Annotated Anodyne CS(=O)(=O)c1ccc(CNC(=O)[C@]2(C(F)(F)F)C/C(=C\Cc3ccccc3)CCCO2)cc1 ZINC000013829086 JI Annotated Anodyne CC(C)N1CCC(C[C@H](O)CCc2ccccc2C(=O)NC(C)(C)C)=C(C(=O)NC(C)(C)C)C1 ZINC000013838021 JI Annotated Anodyne CC(C)N1CCC(C[C@@H](O)CCc2ccccc2C(=O)NC(C)(C)C)=C(C(=O)NC(C)(C)C)C1 ZINC000013838024 JI Annotated Anodyne O=c1oc2cc(O)c(O)cc2c2c(-c3ccc(O)c(O)c3)c3c4cc(O)c(O)cc4ccn3c12 ZINC000013838857 JI Annotated Clean COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCCc1c[nH]cn1 ZINC000013860475 JI Annotated Anodyne CN(C[C@@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CCCCc1nc2c(cc1C1CC1)CCCN2 ZINC000013860638 JI Annotated Anodyne CN(C[C@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CCCCc1nc2c(cc1C1CC1)CCCN2 ZINC000013860639 JI Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 ZINC000013861021 JI Annotated Anodyne O=c1c2cccn2c2ccc(Cl)cc2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000013861548 JI Annotated Anodyne Fc1cccc2c1nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn12 ZINC000013861551 JI Annotated Anodyne COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc2c(=O)n1-c1ccc(N)cc1 ZINC000013863111 JI Annotated Clean COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)ccc2c(=O)n1-c1ccc(N)cc1 ZINC000013863112 JI Annotated Clean N[C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)c(C(=O)c2ccccc2)c1 ZINC000013863780 JI Annotated Mild N[C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2ccc3ccccc3c2)c(C(=O)c2ccccc2)c1 ZINC000013863781 JI Annotated Mild CCc1cc(OCCc2ccc(CN)cc2)cc(OS(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000013864354 JI Annotated Anodyne O=[N+]([O-])c1cccc(-c2ccc(S(=O)(=O)N(CCCO)c3ccnn3-c3ccccc3)cc2)c1 ZINC000013864531 JI Annotated Bother O=[N+]([O-])c1cccc(-c2ccc(S(=O)(=O)N(CCCCO)c3ccnn3-c3ccccc3)cc2)c1 ZINC000013864532 JI Annotated Bother Cc1nn(-c2ccccc2[N+](=O)[O-])c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864598 JI Annotated Clean Cc1nn(-c2cccc([N+](=O)[O-])c2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864599 JI Annotated Clean Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864600 JI Annotated Clean COc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN(C(=S)Nc4ccccc4)CC3)=C(O)C2)cc1 ZINC000013865203 JI Annotated Mild O=c1[nH]c(CN2CCN(c3ccc(O)cc3)CC2)nc2scc(-c3ccc(Cl)cc3)c12 ZINC000013865768 JI Annotated Anodyne NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000013878836 JI Annotated Bother NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000013878837 JI Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000013878838 JI Annotated Bother NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000013878839 JI Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 ZINC000013878894 JI Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 ZINC000013878895 JI Annotated Bother CCC(CC)Nc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878942 JI Annotated Bother CCC(CC)Nc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878943 JI Annotated Bother CC(=O)c1ccc([C@@H]2C[C@]34CN(Cc5cccc(C(F)(F)F)c5)S(=O)(=O)[C@H]3C[C@H]2O4)cc1 ZINC000013879132 JI Annotated Anodyne CCC[C@@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890088 JI Annotated Bother in-vitro CCC[C@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890089 JI Annotated Bother in-vitro CCC[C@@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890090 JI Annotated Bother in-vitro C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000013904779 JI Annotated Mild in-vivo CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(O)C[C@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1 ZINC000013908721 JI Annotated Mild N#CN/C(=N\Cc1ccncc1)N1CCN([C@@H]2c3ccc(Cl)cc3SCc3cccnc32)CC1 ZINC000013912213 JI Annotated Mild C[C@@H]1C[C@H]2[C@]3(C)CC[C@]4(C)C(=CC(=O)c5c4cc(O)c(O)c5C(=O)O)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O ZINC000013916081 JI Annotated Mild CN(C)C[C@H]1CCCN(CCCn2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2=O)C1 ZINC000013975056 JI Annotated Anodyne O=C(O)C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)[C@@H]1CNc2ccccc2C1 ZINC000013975803 JI Annotated Anodyne O=C(O)C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)[C@H]1CNc2ccccc2C1 ZINC000013975804 JI Annotated Anodyne O=C(O)C[C@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)[C@H]1CNc2ccccc2C1 ZINC000013975805 JI Annotated Anodyne O=C(O)C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cccc(F)c1 ZINC000013975808 JI Annotated Anodyne COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1 ZINC000013976090 JI Annotated Anodyne O=C(O)C[C@@H](C1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1)[C@H]1CNc2ccccc2C1 ZINC000013976884 JI Annotated Anodyne Cn1nc(C[C@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1SCCc1ccc2c(n1)NCCC2 ZINC000013976919 JI Annotated Anodyne COc1ccc([C@@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)cn1 ZINC000013976933 JI Annotated Anodyne O=C(NCCO)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 ZINC000013980696 JI Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000013981127 JI Annotated Anodyne CN(C)CCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2NCC(F)(F)F)c(F)c1 ZINC000013981130 JI Annotated Anodyne Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CCN(C)C4)C3)s2)c(Cl)c1 ZINC000013981369 JI Annotated Anodyne COc1ccc(N(C(=O)NCc2ccccc2OC)c2ccnc(N[C@@H](C)C(C)(C)O)n2)cc1 ZINC000013986003 JI Annotated Anodyne C[C@@H]1C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C[C@H]1C ZINC000135617708 JI Annotated Mild CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000135622496 JI Annotated Anodyne COCCN(CCOC)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12 ZINC000135643225 JI Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000135649524 JI Annotated Mild COC1=CC(=O)O[C@]2(/C=C/c3ccc(O)cc3)[C@H]1[C@H](c1ccc(O)cc1)[C@H]2c1cc(OC)cc(=O)o1 ZINC000135654252 JI Annotated Anodyne CC(C)[C@@]1(O)C[C@]2(O[C@H]3C[C@H]4[C@@H]5C(=O)C[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@]1(C)O ZINC000135656840 JI Annotated Anodyne CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O ZINC000135681914 JI Annotated Anodyne CC(C)[C@@H]1CN([C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@H]5[C@@H]4CC[C@H]3C2=O)C1=O ZINC000135683109 JI Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(C(F)(F)F)nc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000136031989 JI Annotated Anodyne COc1cc(O)c2c3c1-c1oc4c(/C=C(/O)C(C)(C)O)c(O)cc(O)c4c(=O)c1C[C@@H]3C(C)(C)O2 ZINC000136043086 JI Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3C(=CC(=O)[C@@H]12)C[C@]1(C)CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@]2(C)[C@H]1C[C@H]3O ZINC000136127902 JI Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@H]3[C@H](O)C[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)C[C@@]3(O)CC[C@@H]12 ZINC000136128004 JI Annotated Anodyne C/C=C\[C@H]1C=C[C@@H]2[C@H]3[C@H]1C(=O)[C@@H]1C(=O)NC(=O)[C@H]1Cc1ccc(cc1)O[C@H]3[C@@H]1CC[C@@H](C)C[C@@H]21 ZINC000136256460 JI Annotated Anodyne Cc1c(C(=O)C/C(=N\O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n+](=O)c2ccccc2n1O ZINC000136261812 JI Annotated Mild C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(O)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)[C@H](OC(=O)CCCCCCC)C[C@@H]1O ZINC000136263716 JI Annotated Mild CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)NCc1ccco1 ZINC000136316289 JI Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)NCc1ccco1 ZINC000136316330 JI Annotated Anodyne CC(C)[C@@H]1CN(C2=CC[C@@]3(C)[C@H](CC[C@H]4[C@@H]5C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]5(C)CC[C@@H]43)C2=O)C1=O ZINC000136447554 JI Annotated Mild CO[C@@H]1O[C@@]2(OC)C[C@H](OC(C)=O)[C@@H](C)[C@H]2[C@H]2[C@H]1[C@H](OC(C)=O)C[C@H]2/C(C)=C\CC=C(C)C ZINC000136518567 JI Annotated Anodyne CCOc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000136690233 JI Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000136803415 JI Annotated Mild COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@@H]3C[C@@H](C)C[C@@]45[C@@H]2CCCN4CCC[C@H]35)cc1OC ZINC000137016038 JI Annotated Anodyne C=C(C)[C@@H]1Cc2cc(OC/C=C(\C)CO)c(O)cc2C2=C1C(=O)C(c1ccc(O)cc1)=C(OC)C2=O ZINC000137033641 JI Annotated Mild CC(=O)O[C@@H]1[C@H]2CO[C@H]([C@H](C)CCC[C@@H](C)[C@@H]3CC=C(C)[C@H]4CCC(C)=C[C@H]43)O[C@H](O2)[C@H](O)[C@H]1O ZINC000137065412 JI Annotated Anodyne Cc1ccc(Cl)cc1-n1c(SCC(=O)NCc2ccccc2)nc2nnc(C)c-2c1N ZINC000137196500 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C3=C(C)[C@H]4C[C@@]5(C(=O)O[C@H]6[C@H]5CC[C@]5(C)O[C@@]57CC=C(C)[C@H]67)[C@@]3(C4)[C@@](C)(O)CC[C@@H]12 ZINC000137209780 JI Annotated Anodyne CC(C)=CCC/C(C)=C\CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137290172 JI Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137290228 JI Annotated Mild CC(C)=CCC/C(C)=C\CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137290280 JI Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@@](C)(C[C@@H](OC(C)=O)[C@@H]3C[C@@]32C)C2=CC[C@](C)([C@H](Br)CO)C[C@H]21 ZINC000137310321 JI Annotated Reactive CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]32C)C1 ZINC000137399049 JI Annotated Mild C/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000137473015 JI Annotated Anodyne CC[C@@H](C)/C=C(C)/C=C/C(O)=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C[C@H](C)O)OC=C3[C@@H]12 ZINC000137480077 JI Annotated Mild C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@](C)(CCC(=O)O)[C@H]1C[C@@H]3O[C@]1(C)CO ZINC000137481621 JI Annotated Mild C[C@H]1C[C@@]2(O[C@@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000137552924 JI Annotated Anodyne C[C@H]1C[C@]2(O[C@@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000137553090 JI Annotated Anodyne CC(=O)O[C@H]1CO[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)[C@H](O)[C@H]1O ZINC000137713658 JI Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)CC1 ZINC000137803649 JI Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@]12C[C@@](C)(O)[C@@](C)(CO1)O2 ZINC000137810774 JI Annotated Mild C=CCn1c(SCc2cc(F)ccc2F)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1=O ZINC000137855761 JI Annotated Mild C=CCn1c(SCc2cc(F)ccc2F)nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c1=O ZINC000137855862 JI Annotated Mild CN1CCN(Cc2cnc(NC(=O)c3ccc(-c4csc5ccccc45)c4nccnc34)[nH]2)CC1 ZINC000137871289 JI Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4O[C@@H](C)O[C@@H]4[C@@H](C)O2)[C@]13C(=O)O ZINC000137881139 JI Annotated Mild CCOC(=O)N=[S@](C)(=O)c1ccc2cc1NCCCCNc1nc(ncc1Br)N2 ZINC000137917550 JI Annotated Anodyne CCOC(=O)N=[S@@](C)(=O)c1ccc2cc1NCCCCNc1nc(ncc1Br)N2 ZINC000137917627 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@H]3[C@@]2(C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]32C)[C@@H]2O[C@H]3OC(=O)C[C@@]31O2 ZINC000138062117 JI Annotated Anodyne C/C(=C\c1coc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000138089537 JI Annotated Anodyne CC(C)=CC(=O)NC1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]4[C@@H]3CC[C@H]2C1=O ZINC000138112903 JI Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=C(c5ccc(OS(N)(=O)=O)cc5)C(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000138120027 JI Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@H](c4ccc(OS(N)(=O)=O)cc4)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000138120462 JI Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138120814 JI Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4CC=C5C(=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138121066 JI Annotated Mild CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138121323 JI Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@H]3[C@@]2(C)CC[C@H]2[C@@](C)(C=O)CCC[C@]32C)[C@@H]2O[C@H]3OC(=O)C[C@@]31O2 ZINC000138134479 JI Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@@H]1CC[C@@H]2[C@@H]1CO[C@]2(C)C[C@H]1OC(=O)[C@@H]2CO ZINC000138156853 JI Annotated Mild C[C@H]1C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000138185595 JI Annotated Mild CCCCC/C=C\C[C@]1(O)C=C(Cl)C(=O)/C1=C/[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000138270549 JI Annotated Mild Cc1c(C(=O)CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)[n+](=O)c2ccccc2n1O ZINC000138310579 JI Annotated Anodyne C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@@H](C)C(=O)O ZINC000138313055 JI Annotated Mild CO/C=C(C(=O)OC)\C(C)=C/C=C/c1ccc2c(c1)OC(C)(C)[C@H](OC[C@H]1OC1(C)C)CO2 ZINC000138337062 JI Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CCC[C@H](O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000138445061 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)OC(C)(C)[C@@H](Br)C[C@@H]1O ZINC000138451699 JI Annotated Reactive CC(=O)O[C@H]1C[C@H](Br)C(C)(C)O[C@@]1(C)[C@H]1C[C@@H](Br)[C@](C)(Cl)C[C@H]1O ZINC000138451841 JI Annotated Reactive CC[C@@H](C)/C=C(C)/C=C/C(=O)/C=C(\O)C1=C2C3=COC(C[C@H](C)O)=CC3=CC(=O)[C@]2(C)OC1=O ZINC000138481229 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138576857 JI Annotated Anodyne CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C/C=C/[C@]1(C)[C@@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C ZINC000138591202 JI Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2CN3CC[C@H]2C3)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000138600343 JI Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2CN3CC[C@H]2C3)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000138600463 JI Annotated Mild C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@H](C)C(=O)O ZINC000138624327 JI Annotated Mild CC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H]2C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC2)[C@H](O)[C@@H](O)[C@H]1O ZINC000138644378 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000138669497 JI Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCO)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000138715816 JI Annotated Anodyne C=C1C[C@@H](CC[C@H](C)O)OC(=O)[C@@H](C)CCCC[C@@H]2O[C@H](C[C@@H]2C)C[C@@H](O)C(=O)[C@H](C)C1 ZINC000138778118 JI Annotated Mild CCCCCC[C@@H](C)C(=O)C1=C2C3=COC(C4=C(C)C[C@@H](O)CC4=O)=CC3=CC(=O)[C@]2(C)OC1=O ZINC000138854199 JI Annotated Mild O=C(OCc1ccccc1[N+](=O)[O-])N1c2ccccc2[C@@]23O[C@]24CCC[C@H]3C#C/C=C/C#C[C@H]14 ZINC000138883880 JI Annotated Mild O=C(OCc1ccc([N+](=O)[O-])cc1)N1c2ccccc2[C@@]23O[C@]24CCC[C@H]3C#C/C=C/C#C[C@H]14 ZINC000138884003 JI Annotated Mild COC(=O)C[C@H]1C(C)(C)C(=O)[C@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000138934526 JI Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1)C(=O)N(CC)CC ZINC000138955027 JI Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1)C(=O)N(CC)CC ZINC000138955143 JI Annotated Anodyne CC[C@H](C)Cn1c(-c2c(F)cc(OCCCN(C)C)cc2F)c(Cl)nc(-n2cccn2)c1=O ZINC000138956733 JI Annotated Anodyne CC[C@H](C)Cn1c(-c2c(F)cc(OCCCNC)cc2F)c(Cl)nc(-n2cccn2)c1=O ZINC000138957115 JI Annotated Anodyne COc1ccc(NC(=O)CSC2=NC3=C(C(=O)CCC3)[C@@H](c3ccco3)[C@@H]2C#N)c(OC)c1 ZINC000138975334 JI Annotated Mild COc1ccc(NC(=O)CSC2=NC3=C(C(=O)CCC3)[C@@H](c3ccco3)[C@H]2C#N)c(OC)c1 ZINC000138975456 JI Annotated Mild COc1ccc(NC(=O)CSC2=NC3=C(C(=O)CCC3)[C@H](c3ccco3)[C@@H]2C#N)c(OC)c1 ZINC000138975575 JI Annotated Mild COc1ccc(NC(=O)CSC2=NC3=C(C(=O)CCC3)[C@H](c3ccco3)[C@H]2C#N)c(OC)c1 ZINC000138975689 JI Annotated Mild CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(OCF)cc1 ZINC000139045342 JI Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(OCF)cc1 ZINC000139045420 JI Annotated Anodyne COc1ncccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000139047973 JI Annotated Anodyne C[C@@H](C[C@H]1C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000139138215 JI Annotated Anodyne CCNC(=O)c1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2C(CC)CC)cc1 ZINC000139252295 JI Annotated Anodyne CCNC(=O)c1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2C(CC)CC)cc1 ZINC000139252386 JI Annotated Anodyne CCNC(=O)c1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2C(CC)CC)cc1 ZINC000139252474 JI Annotated Anodyne CCNC(=O)c1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2C(CC)CC)cc1 ZINC000139252579 JI Annotated Anodyne CCC(CC)[C@@H]1[C@H](C(=O)c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000139267899 JI Annotated Anodyne CCC(CC)[C@H]1[C@H](C(=O)c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000139268005 JI Annotated Anodyne CCC(CC)[C@@H]1[C@@H](C(=O)c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000139268093 JI Annotated Anodyne CCC(CC)[C@H]1[C@@H](C(=O)c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000139268166 JI Annotated Anodyne CC(C)(O)COCc1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1 ZINC000139277897 JI Annotated Anodyne CC(C)Oc1ncc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1Cl ZINC000139504262 JI Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nc5c(s4)CNCC5)ccn23)c1 ZINC000139511992 JI Annotated Anodyne C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)Cl)C(=O)NCc1nccs1)C(Cl)Cl ZINC000139558473 JI Annotated Reactive CN(C)c1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000139571147 JI Annotated Anodyne CNc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000139634095 JI Annotated Anodyne COCCc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 ZINC000139671391 JI Annotated Anodyne COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3[C@H](OC(C)=O)[C@@H](C)C[C@@]45[C@@H]2CCCN4CCC[C@H]35)ccc1O ZINC000139716639 JI Annotated Anodyne C=C1C[C@@H](OC(C)=O)/C=C(\C)CC[C@@H]2C([C@H](C[C@H]3OC3(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000139771774 JI Annotated Mild CCCOc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)c(N)cc2F)c1 ZINC000139790122 JI Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](O)[C@H](N)C3)ccc2F)c1 ZINC000139820774 JI Annotated Anodyne CCC[C@]1(C)C[C@H]2OC(=O)/C=C/[C@@H](C)CC(=O)[C@](C)(O)C[C@H](O)[C@H](C)/C=C(\C)CC[C@@H]2O1 ZINC000139840386 JI Annotated Anodyne Cc1cn(-c2ncc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)s2)cn1 ZINC000139959257 JI Annotated Anodyne O=C(O)C[C@@H](C1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1)[C@@H]1CNc2ccccc2C1 ZINC000014021160 JI Annotated Anodyne CC[C@@H](C)/C=C(\C)C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21 ZINC000014114335 JI Annotated Mild CCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCNCCCNCCCN1 ZINC000014141384 JI Annotated Mild CCCCCCCCCCCCC[C@H]1CC(=O)NCCCNCCCNCCCNCCCN1 ZINC000014141386 JI Annotated Mild C[C@@H]1CC(C)(C)N[C@@H](C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 ZINC000014243571 JI Annotated Reactive C[C@H]1CC(C)(C)N[C@@H](C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 ZINC000014243572 JI Annotated Reactive C[C@H]1CC(C)(C)N[C@H](C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 ZINC000014243573 JI Annotated Reactive O=[N+]([O-])c1ccc(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)o1 ZINC000014279238 JI Annotated Reactive CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCO[C@H](C(C)C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000014299861 JI Annotated Anodyne CCC[C@@H]1CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1 ZINC000014299862 JI Annotated Anodyne CCC[C@H]1CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1 ZINC000014299863 JI Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCO[C@H](CC(C)C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000014299865 JI Annotated Anodyne C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](C(=O)O)C[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000140020149 JI Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(C2(C(F)(F)F)CC2)n1 ZINC000140025145 JI Annotated Anodyne CCC/C=C/CC[C@H]1C[C@H]2CC[C@H]3C(C(=O)OCCCCN=C(N)N)=C(CCCCC)NC(=N1)N32 ZINC000140087819 JI Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000140114354 JI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000140114498 JI Annotated Anodyne CC(C)CN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 ZINC000140138924 JI Annotated Anodyne O=S(=O)(c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1)N1CCCCC1 ZINC000140143781 JI Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(CC(=O)N3CCc4ccccc4C3)[nH]c(=O)c2Cl)c1 ZINC000140192789 JI Annotated Anodyne CC1(C)C[C@@](O)(C[C@H]2[C@H]3[C@](C)(C[C@H]2O)[C@@H](Br)CC[C@@]3(C)O)CC[C@@H]1Br ZINC000140211390 JI Annotated Reactive C=C1[C@@H](O)[C@H](O)C[C@]2(C)[C@@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@H]12 ZINC000140284815 JI Annotated Mild Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](O)[C@H](N)C3)ccc2F)c1F ZINC000140290583 JI Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@@H](O)[C@H](N)C3)ccc2F)c1F ZINC000140290734 JI Annotated Anodyne CCCOc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)ccc2F)c1 ZINC000140303486 JI Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1cnc2ccccc21)c1ccc(N)cc1 ZINC000140324554 JI Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1cnc2ccccc21)c1ccc(N)cc1 ZINC000140324717 JI Annotated Anodyne CCC(=O)Nc1ccc(N(C(=O)Cn2ccnc2C)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140326319 JI Annotated Anodyne CCC(=O)Nc1ccc(N(C(=O)Cn2ccnc2C)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140326476 JI Annotated Anodyne COc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@@H](O)[C@H](N)C3)ccc2F)c1F ZINC000140332645 JI Annotated Anodyne COC(=O)[C@H](C)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)CC4=C[C@]5(C)CC[C@]4(OO5)[C@@]3(C)O2)OO1 ZINC000140452491 JI Annotated Reactive CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000140460263 JI Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000140460427 JI Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC1(O)CC(F)(F)C1 ZINC000140506054 JI Annotated Anodyne C=C1C[C@@H]2O[C@@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1OC(C)=O ZINC000140549905 JI Annotated Mild CCCC(=O)O[C@@H]1CC[C@]2(C)C=CC([C@@H](C)C(=O)OC)=C(O2)[C@H]2[C@]3(C)O[C@@H]3C[C@H](OC(C)=O)[C@@]21C ZINC000140576182 JI Annotated Anodyne CC(C)Cc1onc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1C(F)(F)F ZINC000140605339 JI Annotated Anodyne CC(C)[C@@H]1C[C@H](O)C=C2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr ZINC000140630773 JI Annotated Reactive CC1=CC(=O)[C@H]2[C@@H](C)C(=O)[C@H]3[C@@](C)(C=C4N5C[C@H]6C[C@H](C)C[C@]5(CC[C@@]4(C)[C@]34COC(=O)C4)O6)[C@@H]2C1 ZINC000140640128 JI Annotated Mild CC1=CC(=O)[C@H]2[C@@H](C)C(=O)[C@@H]3[C@]4(COC(=O)C4)[C@]4(C)CC[C@]56C[C@@H](C)C[C@H](CN5C4=C[C@@]3(C)[C@@H]2C1)O6 ZINC000140640492 JI Annotated Mild CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccccc2)N(C(C)=O)[C@@H]1c1ccccc1 ZINC000140776585 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2cccc(F)c2)N[C@@H]1c1cccc(F)c1 ZINC000140802844 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000140826571 JI Annotated Anodyne OC[C@@H]1C[C@]2(c3ccccc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000140901133 JI Annotated Anodyne OC[C@H]1C[C@]2(c3ccccc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000140901334 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc3c(c4c2[C@@]2(CO4)C(=CC(=O)C(OC)=C2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000140908655 JI Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc3c(c4c2[C@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3 ZINC000140908867 JI Annotated Mild C=CC(C)(C)c1ccc2c(c1)[C@]1(C)C[C@H]3C(=O)N4[C@@H](C[C@@]5(C)c6ccccc6N[C@@H]45)C(=O)N3[C@@H]1N2C ZINC000140994810 JI Annotated Mild O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1cc(/C=C/CN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000141213052 JI Annotated Anodyne CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr ZINC000141236586 JI Annotated Reactive C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000141243566 JI Annotated Anodyne COC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000141265017 JI Annotated Anodyne CC[C@H](C)COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)[C@H]2C[C@@H]2c2cccs2)cc1 ZINC000141271605 JI Annotated Anodyne C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000141658100 JI Annotated Anodyne COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000141763740 JI Annotated Anodyne COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000141763865 JI Annotated Anodyne C=C1CC[C@@H]([C@H](CCC=C(C)C)CO[C@H]2OC[C@H](O)[C@@H](OC(C)=O)[C@@H]2O)[C@@H]2C=C(C)CC[C@H]12 ZINC000141770736 JI Annotated Mild O=C(Nc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1O)c1ccccc1 ZINC000141823458 JI Annotated Anodyne COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCN(C)C)cc2)c(=O)c2cc(OC)ccc12 ZINC000141860850 JI Annotated Clean c1cc2nc(c1)CNc1ccccc1OCCOCCOCCOCCOc1ccccc1NC2 ZINC000141906212 JI Annotated Anodyne CCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OCC)c1OCC ZINC000141908108 JI Annotated Anodyne CC[C@@H](Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141913531 JI Annotated Anodyne COCCNC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000141918889 JI Annotated Anodyne COCCNC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000141919094 JI Annotated Anodyne COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1 ZINC000141994588 JI Annotated Anodyne Cc1nc(NCc2cc(OCC(=O)N(C)C)ccc2F)cc(-c2ccc3ncsc3c2)n1 ZINC000141997608 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN4CCCC[C@@H]4C3)cc2)n1 ZINC000142061887 JI Annotated Anodyne CC(C)[C@@H]1N(c2ccnc(N[C@@H](C)c3ccc(CN4CCN(C)CC4)cc3)n2)C(=O)OC1(C)C ZINC000142086953 JI Annotated Anodyne COc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc(OC)c1Br ZINC000142093799 JI Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCOC4(CCN(C)CC4)C3)CC2)ncc1Cl ZINC000142125245 JI Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CCOC4(CCN(C)CC4)C3)CC2)ncc1Cl ZINC000142125445 JI Annotated Anodyne COCCNS(=O)(=O)c1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142128632 JI Annotated Anodyne COCCNS(=O)(=O)c1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142128846 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(OCc3conc3-c3ccc(Cl)cc3)nc2)C1 ZINC000142151247 JI Annotated Anodyne COc1nc(-c2nc(N(C)c3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1 ZINC000142157895 JI Annotated Anodyne CC[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1=O ZINC000142184582 JI Annotated Anodyne CC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1=O ZINC000142184775 JI Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(F)c(F)c1)[C@H](NCC)CC2 ZINC000142207426 JI Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(F)c(F)c1)[C@@H](NCC)CC2 ZINC000142207625 JI Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(F)c(F)c1)[C@H](NCC)CC2 ZINC000142207854 JI Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(F)c(F)c1)[C@@H](NCC)CC2 ZINC000142208073 JI Annotated Anodyne C#CCNS(=O)(=O)c1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142321227 JI Annotated Anodyne C#CCNS(=O)(=O)c1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142321432 JI Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(S(=O)(=O)NCC#N)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142392780 JI Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(S(=O)(=O)NCC#N)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142392984 JI Annotated Anodyne COc1cc2nncc(-c3cnc(N4CCC(O)(c5cccnc5)CC4)c(Cl)c3)c2cc1OC ZINC000142394486 JI Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@]1(c2ccc(F)cn2)CCCN(C)C1 ZINC000142606960 JI Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2ccc(F)cn2)CCCN(C)C1 ZINC000142607180 JI Annotated Anodyne O=C(O)[C@@H]1[C@H]2CN(c3ccc(C(=O)N4CC[C@H](c5cccnc5)C4)c(SC4CCCCC4)n3)C[C@H]21 ZINC000142632937 JI Annotated Anodyne O=C(O)[C@@H]1[C@H]2CN(c3ccc(C(=O)N4CC[C@@H](c5cccnc5)C4)c(SC4CCCCC4)n3)C[C@H]21 ZINC000142633148 JI Annotated Anodyne CC(=O)N(c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1)c1ccncn1 ZINC000142633332 JI Annotated Anodyne CC(=O)N(c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1)c1ccncn1 ZINC000142633538 JI Annotated Anodyne C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)cc(N(C)C(=O)N2CCOCC2)c1)c1cnccn1 ZINC000142651100 JI Annotated Anodyne C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)cc(N(C)C(=O)N2CCOCC2)c1)c1cnccn1 ZINC000142651284 JI Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@@H](NS(=O)(=O)c2cccs2)C1 ZINC000142729905 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCCC1)CC2 ZINC000142777767 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCCC1)CC2 ZINC000142778001 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCCC1)CC2 ZINC000142778190 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N1CCCC1)CC2 ZINC000142778377 JI Annotated Anodyne COc1c(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc(C2(C)CCOCC2)cc1[C@@H](O)C(F)(F)F ZINC000142797229 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@H](N1CCCC1)CC2 ZINC000142904462 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@H](N1CCCC1)CC2 ZINC000142904665 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@@H](N1CCCC1)CC2 ZINC000142904867 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@@H](N1CCCC1)CC2 ZINC000142905073 JI Annotated Anodyne COc1c(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc(C(C)(C)C)cc1[C@@H](O)C(F)(F)F ZINC000142950675 JI Annotated Anodyne COc1cccc2c1C[C@@H](NC(=O)Nc1cc(C(C)(C)C)cc([C@H](O)C(F)(F)F)c1OC)[C@H]2O ZINC000143038317 JI Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC(=O)[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000143087930 JI Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]([C@H](C)CCC[C@@H](C)[C@@H]3CC=C(C)[C@H]4CCC(C)=C[C@H]43)OC[C@@H](O2)[C@H]1O ZINC000143120807 JI Annotated Anodyne CN(C)[C@H]1CCN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)C1 ZINC000143122174 JI Annotated Anodyne COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)C ZINC000143179320 JI Annotated Anodyne CC(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000143207638 JI Annotated Anodyne CC(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000143207832 JI Annotated Anodyne CC(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000143208007 JI Annotated Anodyne CC(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000143208208 JI Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2cc(F)ccc2O1 ZINC000143315652 JI Annotated Anodyne CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(C(F)(F)F)cc2O1 ZINC000143412392 JI Annotated Anodyne O=C(NCCc1nc(-c2ccncc2)n[nH]1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000143420947 JI Annotated Anodyne C[C@H]1Oc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cccc2NC1=O ZINC000143442548 JI Annotated Anodyne CC(C)(C)NC(=O)[C@H]1c2ccc(NS(C)(=O)=O)cc2C(=O)N1Cc1ccccc1-c1ccccc1 ZINC000143460433 JI Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1c2ccc(NS(C)(=O)=O)cc2C(=O)N1Cc1ccccc1-c1ccccc1 ZINC000143460620 JI Annotated Anodyne CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2cccc(C(F)(F)F)c2O1 ZINC000143469922 JI Annotated Anodyne C[C@@]1(CF)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(Cl)cc2O1 ZINC000143481775 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CC[C@@H](F)C1)CC2 ZINC000143487752 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CC[C@H](F)C1)CC2 ZINC000143487954 JI Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(N(CC)c2ccc3ncn(C)c(=O)c3c2)c1Cl ZINC000143515299 JI Annotated Anodyne CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c5ccccc54)c3CO)ncc2c1 ZINC000143515392 JI Annotated Anodyne Nc1nccc2cc(N[C@H]3C(=O)NCc4cccc(c4)NC(=O)CCc4ccc3cc4)ccc12 ZINC000143523282 JI Annotated Anodyne Nc1nccc2cc(N[C@@H]3C(=O)NCc4cccc(c4)NC(=O)CCc4ccc3cc4)ccc12 ZINC000143523492 JI Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cc(F)cc43)cc21 ZINC000143524683 JI Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2cccc(F)c2O1 ZINC000143560255 JI Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143574511 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143574732 JI Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(F)ccc23)cc1 ZINC000143579351 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(F)ccc23)cc1 ZINC000143579537 JI Annotated Mild CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(F)c(Cl)c2O1 ZINC000143582668 JI Annotated Anodyne CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(Cl)c(F)c2O1 ZINC000143583124 JI Annotated Anodyne CN(C)C(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143593056 JI Annotated Mild CN(C)C(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143593257 JI Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3ccccn3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143593497 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccn3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143593709 JI Annotated Mild CCN(CCn1ccc(-c2ccc(C(F)(F)F)cn2)n1)C(=O)c1cc(C)ccc1-n1nccn1 ZINC000143638458 JI Annotated Anodyne CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@@H](C2CCN(C(=O)OC(C)C)CC2)O3)CC1 ZINC000143640537 JI Annotated Anodyne CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@H](C2CCN(C(=O)OC(C)C)CC2)O3)CC1 ZINC000143640762 JI Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2cn(C)c3ccccc23)cc1 ZINC000143642361 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2cn(C)c3ccccc23)cc1 ZINC000143642569 JI Annotated Mild CCN(CCn1ccc(-c2cccc(C(F)(F)F)n2)n1)C(=O)c1cc(C)ccc1-n1nccn1 ZINC000143659612 JI Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2Cc2c[nH]c3ccccc23)cc1 ZINC000143670326 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2Cc2c[nH]c3ccccc23)cc1 ZINC000143670513 JI Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143674424 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143674628 JI Annotated Mild C=C1C[C@@H]2[C@@H](C[C@@H]1O)[C@@H](C)C(=O)[C@H]1[C@@]2(C)C[C@@]23OC(=O)C[C@]1(C)[C@]2(C)CC[C@]12C[C@@H](C)C[C@H](CN13)O2 ZINC000143684834 JI Annotated Mild O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC(CF)(CF)Oc2cc(Cl)ccc21 ZINC000143686678 JI Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1 ZINC000143691420 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1 ZINC000143691634 JI Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143700267 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143700484 JI Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cccc(C)c23)cc1 ZINC000143702565 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cccc(C)c23)cc1 ZINC000143702739 JI Annotated Mild C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000143725973 JI Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000143726175 JI Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000143745581 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000143745802 JI Annotated Mild COc1c(CO)c(-c2c(CO)c(OC)c3cccc(OC)c3c2O)c(O)c2c(OC)cccc12 ZINC000143757138 JI Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000143764062 JI Annotated Anodyne CC(C)[C@H]1CC[C@@]2(CO2)[C@H]2C(=O)OCC(C(=O)OCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)=C[C@@H]21 ZINC000143781022 JI Annotated Anodyne CC[C@H](C)Cn1c(-c2c(F)cc(OCCN(C)C)cc2F)c(Cl)nc(-n2cccn2)c1=O ZINC000143786507 JI Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(C)ccc23)cc1 ZINC000143812591 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(C)ccc23)cc1 ZINC000143812791 JI Annotated Mild CC(C)(C)n1c(-c2ccccc2C(=O)NC[C@@H]2CCCO2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000143907231 JI Annotated Anodyne CC(C)(C)n1c(-c2ccccc2C(=O)NC[C@H]2CCCO2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000143907431 JI Annotated Anodyne CC(=O)c1cn(CC(=O)N2[C@H](CNC(=O)Oc3cccc(Cl)c3F)C[C@H]3C[C@H]32)c2ccccc12 ZINC000143907485 JI Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)c3snnc3C)c2)cc1 ZINC000144123277 JI Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)c3snnc3C)c2)cc1 ZINC000144123512 JI Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C3CCOCC3)c2)cc1 ZINC000144143036 JI Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C3CCOCC3)c2)cc1 ZINC000144143241 JI Annotated Anodyne O=C(c1ccc(F)c(Br)c1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000144153832 JI Annotated Anodyne COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCCN(C(C)C)CC5)cc4c3)n2)c1 ZINC000144182332 JI Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CCS(=O)CC4)c3)n[nH]c2C1 ZINC000144184516 JI Annotated Anodyne CCN1CC[C@@]2(CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)C2)C1 ZINC000144205126 JI Annotated Anodyne CCN1CC[C@]2(CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)C2)C1 ZINC000144205309 JI Annotated Anodyne CC(=O)N1CCC(C(=O)N(C)c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(-c3ccc(C)cc3)c2)CC1 ZINC000144211075 JI Annotated Anodyne CC(=O)N1CCC(C(=O)N(C)c2cc(C(=O)N[C@H](C)c3cnccn3)cc(-c3ccc(C)cc3)c2)CC1 ZINC000144211259 JI Annotated Anodyne Cc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N3CCC(N4CCCC4=O)CC3)[nH]c12 ZINC000144242034 JI Annotated Anodyne CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c3ccc(Cl)c4F)cccc21 ZINC000144254745 JI Annotated Anodyne C[C@@]1(CF)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(C(F)(F)F)cc2O1 ZINC000144329590 JI Annotated Anodyne Cc1cc(Br)ccc1C(=O)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000144330654 JI Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cc(F)cc43)cc2NC1=O ZINC000144350921 JI Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)c(C)c2)nc2ccc(C(F)(F)F)cc21 ZINC000144362290 JI Annotated Anodyne N#Cc1ccc2nc(NC3CC(=O)C3)c(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)nc2c1 ZINC000144364638 JI Annotated Anodyne N#Cc1ccc2nc(NCCC(F)(F)F)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2c1 ZINC000144395492 JI Annotated Anodyne CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(Br)cc2O1 ZINC000144406577 JI Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)COc2ccc(F)cc2[C@@H](C)C(F)(F)F)C3=O)cn1 ZINC000144414801 JI Annotated Anodyne CC(C)Nc1nc2cc(C(=O)N(C)C)ncc2nc1N1CCC(Oc2ccc(Cl)cc2F)CC1 ZINC000144486631 JI Annotated Anodyne O=C(c1ccccc1Br)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144491248 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000144498173 JI Annotated Anodyne CC(C)n1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(F)ccc21 ZINC000144594898 JI Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000144609359 JI Annotated Mild COc1ccc2c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)nn(C3CC3)c2c1 ZINC000144614303 JI Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(=O)NN)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000144614645 JI Annotated Reactive CC(C)c1n[nH]c2c1[C@@H](c1ccccc1OCC(=O)NN)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000144614857 JI Annotated Reactive CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)C2CC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144740205 JI Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)C2CC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144740418 JI Annotated Anodyne C=CC(C)(C)c1ccc2c(c1)[C@]1(C)C[C@H]3C(=O)N4[C@@H](C[C@@]5(C)c6ccccc6N(C)[C@@H]45)C(=O)N3[C@@H]1N2C ZINC000144749834 JI Annotated Mild CN(C)C(=O)CCCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144845959 JI Annotated Anodyne CN(C)C(=O)CCCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144846161 JI Annotated Anodyne CN(C)C(=O)CCCOc1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144847463 JI Annotated Anodyne CN(C)C(=O)CCCOc1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144847669 JI Annotated Anodyne COc1cc(OC)c(OC)cc1/C=C/C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C ZINC000144866747 JI Annotated Anodyne Cn1cc(-c2cc(N3CCC(C(=O)O)CC3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144889546 JI Annotated Anodyne Cn1cc(-c2cc(N3CCC(C(=O)O)CC3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144889734 JI Annotated Anodyne COc1c(C)c(O)c(C(=O)C(C)C)c(O)c1Cc1c(O)c(C)c(O)c2c1OC(C)(C)CC2=O ZINC000014585759 JI Annotated Anodyne COc1cc2c(c3c1Oc1cc4c(cc1O3)C(=O)NCC4)[C@H](Cc1ccc(O)cc1)N(C)CC2 ZINC000014613270 JI Annotated Anodyne Oc1cc(O)c2c(c1)[C@@H]1[C@@H](c3ccc(O)c(O)c3)c3c(O)cc(O)cc3[C@@H]1[C@H]2c1ccc(O)c(O)c1 ZINC000014636240 JI Annotated Clean COc1cc(/C=C2/CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O ZINC000014642354 JI Annotated Anodyne CC(=O)Oc1c(-c2ccc(O)cc2)c(OC(C)=O)c2oc3cc(O)c(O)cc3c2c1OC(C)=O ZINC000014645690 JI Annotated Clean in-man C=C(Cc1ccc(OC(C)=O)c(OC)c1)c1cc(OC)c(OC(C)=O)cc1/C=C/COC(C)=O ZINC000014647682 JI Annotated Mild COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N+]1([O-])C3 ZINC000014649164 JI Annotated Bother COc1cccc(/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NC[C@@H](C)C(=O)O)c1NC(C)=O ZINC000014654264 JI Annotated Anodyne COc1cccc2c1[nH]c1c(CCn3ccc4c5n(c(=O)c(=O)cc3-5)c3ccccc43)ncc(OC)c12 ZINC000014655537 JI Annotated Bother COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000014681165 JI Annotated Anodyne in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000014681167 JI Annotated Anodyne in-man endogenous COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000014681169 JI Annotated Anodyne in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000014681171 JI Annotated Anodyne in-man endogenous O=C1C[C@H](c2ccccc2)N2CCCN(CCCCN(C(=O)/C=C/c3ccccc3)CCCN1)C2=O ZINC000014681271 JI Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)C[C@H](C)[C@]1(C)O)OCO3 ZINC000014692504 JI Annotated Anodyne C=C/C=C/CNC(=O)c1nc(CC(=O)c2nc(/C=C/c3ccc(OC)c(O)c3)oc2C)oc1C ZINC000014709926 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)C[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000014715054 JI Annotated Anodyne CO/C=C(C(=O)OC)/C(=C\C=C/c1ccc2c(c1)OC(C)(C)[C@H](OCC=C(C)C)CO2)CO ZINC000014717725 JI Annotated Anodyne in-man CO/C=C(C(=O)OC)/C(=C\C=C/c1ccc2c(c1)OC(C)(C)[C@@H](OCC=C(C)C)CO2)CO ZINC000014717727 JI Annotated Anodyne in-man CC(=O)N[C@@H](C(=O)N(C)[C@H](C(=O)N/C=C\c1c(CC=C(C)C)[nH]c2ccccc12)C(C)C)C(C)C ZINC000014721689 JI Annotated Anodyne CC(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N/C=C\c1c(CC=C(C)C)[nH]c2ccccc12)C(C)C)C(C)C ZINC000014721691 JI Annotated Anodyne CC(=O)N[C@@H](C(=O)N(C)[C@@H](C(=O)N/C=C\c1c(CC=C(C)C)[nH]c2ccccc12)C(C)C)C(C)C ZINC000014721693 JI Annotated Anodyne CC(=O)N[C@H](C(=O)N(C)[C@@H](C(=O)N/C=C\c1c(CC=C(C)C)[nH]c2ccccc12)C(C)C)C(C)C ZINC000014721695 JI Annotated Anodyne CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)OC(C)=O)c(O)c1-c1ccc(O)cc1 ZINC000014721718 JI Annotated Anodyne in-vitro biogenic CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)OC(C)=O)c(O)c1-c1ccc(O)cc1 ZINC000014721720 JI Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1/C=c1\[nH]c(=O)c(=C)[nH]c1=O ZINC000014722653 JI Annotated Mild CC(=O)OC[C@@H](C)CCC[C@H](COC(C)=O)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O ZINC000014763689 JI Annotated Clean CC(=O)OC[C@@H](CCC[C@@H](C)COC(C)=O)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O ZINC000014763691 JI Annotated Clean Oc1cc(Oc2c(O)cc(O)cc2O)cc(Oc2c(O)cc(Oc3c(O)cc(O)cc3O)cc2O)c1 ZINC000014765104 JI Annotated Anodyne Oc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(Oc4c(O)cc(O)cc4O)cc3O)cc2O)c1 ZINC000014765107 JI Annotated Anodyne OCc1cc(Br)c(O)c(Cc2cc(Br)c(O)c(Br)c2)c1 ZINC000014765867 JI Annotated Anodyne CCC(=O)O[C@H]1CC/C(C)=C\[C@H]2OC(=O)C(C)=C2C[C@@H]2C(C)=C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]12C ZINC000014776654 JI Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC/C(C)=C\[C@H]2OC(=O)C(C)=C2C[C@@H]2C(C)=CC(=O)[C@@H](OC(C)=O)[C@@]12C ZINC000014776678 JI Annotated Mild CC(=O)O[C@@H]1C(=O)C=C(C)[C@H]2CC3=C(C)C(=O)O[C@@H]3/C=C(/C)CC[C@H](OC(=O)C(C)C)[C@]12C ZINC000014776690 JI Annotated Mild C=C(COC(C)=O)[C@@]1(O)C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)/C=C/C(C)=C/[C@H](C)CC)[C@H]2C ZINC000014781950 JI Annotated Mild C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000014782110 JI Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000014782112 JI Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000014782114 JI Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000014782116 JI Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000014782166 JI Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000014782168 JI Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000014782170 JI Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000014782172 JI Annotated Anodyne in-man endogenous Cc1c2c(c3oc4oc5c6c(c(O)cc5c4c(=O)c3c1O)OC(C)(C)[C@H](O)[C@H]6O)C=CC(C)(C)O2 ZINC000014823712 JI Annotated Bother CO[C@H]1Oc2c(O)c(Br)cc3c2-c2c1cc(Br)c(O)c2O[C@@H]3OC ZINC000014825861 JI Annotated Anodyne CO[C@@H]1Oc2c(O)c(Br)cc3c2-c2c1cc(Br)c(O)c2O[C@H]3OC ZINC000014825863 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)C[C@@H](O)c1ccc(O)c-2c1 ZINC000014828734 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)C[C@@H](O)c1ccc(O)c-2c1 ZINC000014828736 JI Annotated Anodyne COC1=C(c2c(OC)cc3cc4cc(C)oc(=O)c4c(O)c3c2O)C(=O)c2c(O)cc(C)cc2C1=O ZINC000014885088 JI Annotated Mild COc1cc(O)c2c(c1)C(=O)C(C)=C(c1c(OC)cc3cc4cc(C)oc(=O)c4c(O)c3c1O)C2=O ZINC000014885089 JI Annotated Mild C[C@@H]1CO[C@@]2(C)Oc3c4c(c5c(c3C[C@@H]12)O[C@@]1(C)OC[C@@H](C)[C@@H]1C5)O[C@@]1(C)OC[C@@H](C)[C@@H]1C4 ZINC000014885872 JI Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@H]3[C@H](C)CO[C@]3(C)O5)C[C@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12 ZINC000014885875 JI Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@H]3[C@H](C)CO[C@]3(C)O5)C[C@H]3[C@H](C)CO[C@]3(C)O4)C[C@@H]12 ZINC000014885878 JI Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@H]3[C@@H](C)CO[C@]3(C)O5)C[C@H]3[C@H](C)CO[C@]3(C)O4)C[C@@H]12 ZINC000014885880 JI Annotated Anodyne CCCC(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6[C@@H]2OC2(C)C)[C@H]13 ZINC000014929706 JI Annotated Anodyne CC(C)(C)NC(=O)c1c(CC[C@@H](O)CN2CCC[C@H]2C(=O)NC(C)(C)C)ccc2ccccc12 ZINC000014944205 JI Annotated Anodyne CC(C)(C)NC(=O)c1c(CC[C@H](O)CN2CCC[C@H]2C(=O)NC(C)(C)C)ccc2ccccc12 ZINC000014944208 JI Annotated Anodyne O=C1NC(=O)c2c1c1c3ccc(CN4CCOCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 ZINC000014945590 JI Annotated Bother O=C1NC(=O)c2c1c1c3ccc(C(F)(F)F)cc3[nH]c1c1c2c2cccc3c2n1C[C@H](CO)C3 ZINC000014945606 JI Annotated Bother O=C1NC(=O)c2c1c1c3ccc(C(F)(F)F)cc3[nH]c1c1c2c2cccc3c2n1C[C@@H](CO)C3 ZINC000014945607 JI Annotated Bother COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000014951010 JI Annotated Anodyne COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000014951014 JI Annotated Anodyne COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000014951018 JI Annotated Anodyne COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000014951022 JI Annotated Anodyne Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000014952272 JI Annotated Mild CCCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(C3CCN(CC)CC3)c(CC)c2n1 ZINC000014955607 JI Annotated Anodyne CCOc1cccc(-n2c(=O)n(C)c3ccc([C@@](O)(c4ccc(Cl)cc4)c4cncn4C)cc32)c1 ZINC000014955659 JI Annotated Anodyne CCOc1cccc(-n2c(=O)n(C)c3ccc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc32)c1 ZINC000014955662 JI Annotated Anodyne Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(=O)cc3)ccc21 ZINC000014955817 JI Annotated Anodyne COc1cc(NC(=O)CCc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 ZINC000014956102 JI Annotated Mild O=C(NC1CCN(CCO)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959654 JI Annotated Anodyne CCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2CC(=O)/N=C(/N)NCCCO)cc1 ZINC000014962120 JI Annotated Mild CCN(CC)CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964439 JI Annotated Anodyne CN(C)CC(C)(C)CNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964448 JI Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccccn2)ccc2c1CCCC2 ZINC000014964553 JI Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccncc2)ccc2c1CCCC2 ZINC000014964557 JI Annotated Anodyne CCN(CC)CCCNc1cccc(F)c1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964566 JI Annotated Anodyne CCN(CC)CCCNc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964570 JI Annotated Anodyne CCN(CC)CCCC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964679 JI Annotated Anodyne CCN(CC)CCSc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964727 JI Annotated Anodyne CCN(CC)CCCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964777 JI Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2/C=C\CN2CCCC2)ccc2c1CCCC2 ZINC000014964886 JI Annotated Anodyne CCN(CC)CCCc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964931 JI Annotated Anodyne COc1c(-c2ccoc2)ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(=O)O ZINC000014965067 JI Annotated Anodyne COc1c(-c2ccco2)ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(=O)O ZINC000014965071 JI Annotated Anodyne CCc1ccc(NS(=O)(=O)c2ccccc2NCCCN2CCCC[C@@H]2C)c(C(=O)O)c1OC ZINC000014965119 JI Annotated Anodyne CCc1ccc(NS(=O)(=O)c2ccccc2NCCCN2CCCC[C@H]2C)c(C(=O)O)c1OC ZINC000014965123 JI Annotated Anodyne CCc1ccc(NS(=O)(=O)c2ccc(F)cc2/C=C\CN(CC)CC)c(C(=O)O)c1OC ZINC000014965135 JI Annotated Anodyne CS(=O)(=O)c1ccc(COc2ccccc2CNC[C@@H](O)c2cc(Br)cs2)cc1 ZINC000014966893 JI Annotated Anodyne CS(=O)(=O)c1ccc(COc2ccccc2CNC[C@H](O)c2cc(Br)cs2)cc1 ZINC000014966897 JI Annotated Anodyne CC1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969885 JI Annotated Anodyne CC(C)[C@H]1N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO1 ZINC000014969918 JI Annotated Anodyne CN(C)CCOc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1 ZINC000014970322 JI Annotated Bother Cc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1 ZINC000014970370 JI Annotated Bother C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000014971852 JI Annotated Anodyne CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C/C=C/c3ccc(O)c(OC)c3)CC2)[C@H]1OC ZINC000014988292 JI Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145251912 JI Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145252119 JI Annotated Anodyne CC1(C)[C@@H](Br)CC[C@]2(C)C3=C[C@H](O)[C@@](C)([C@H](Br)CO)C[C@@H]3[C@@H](O)C[C@@H]12 ZINC000145392880 JI Annotated Reactive COC(=O)CC[C@@H](C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccco1 ZINC000145422966 JI Annotated Mild COC(=O)CC[C@H](C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccco1 ZINC000145423165 JI Annotated Mild Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(N)c5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145428493 JI Annotated Anodyne CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H](O)C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 ZINC000145431703 JI Annotated Reactive CC[C@H](Br)[C@H]1C[C@H](Br)[C@H](O)C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 ZINC000145432098 JI Annotated Reactive COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@@H]3C)c(NS(C)(=O)=O)c2)n1 ZINC000145459574 JI Annotated Anodyne COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@H]3C)c(NS(C)(=O)=O)c2)n1 ZINC000145459807 JI Annotated Anodyne CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@@H]1C(C)(C)OC(C)=O)[C@H]1O[C@@H]2C/C(C)=C\CC[C@@]1(C)OC(C)=O ZINC000145478011 JI Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1 ZINC000145483573 JI Annotated Anodyne O=C(CN1CCCC1=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145496261 JI Annotated Anodyne O=C(CN1CCCC1=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145496479 JI Annotated Anodyne CC(C)c1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(-c4cnn(C)c4)c3)c2n1 ZINC000145497518 JI Annotated Anodyne CC(C)c1cc(CNC(=O)[C@@H](c2nc3ccc(-c4ccccc4)cc3s2)S(C)(=O)=O)on1 ZINC000145501292 JI Annotated Anodyne CC(C)c1cc(CNC(=O)[C@H](c2nc3ccc(-c4ccccc4)cc3s2)S(C)(=O)=O)on1 ZINC000145501499 JI Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCOP(=O)(O)O)s3)ccc2O1 ZINC000145521125 JI Annotated Anodyne CC(C)[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1)C(=O)O ZINC000145524485 JI Annotated Anodyne CC(C)[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1)C(=O)O ZINC000145524692 JI Annotated Anodyne CC(C)Nc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)cccc23)ccc1C(N)=O ZINC000145525677 JI Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)nc5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145526528 JI Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cncc(CO)c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145536417 JI Annotated Anodyne CNC(=O)c1ccc(-c2cccc3c(-c4ccc(C(N)=O)c(NC5CCC(O)CC5)c4)nccc23)cn1 ZINC000145540609 JI Annotated Anodyne CCNc1cc(-c2nc(C)cc3c(-n4cnc(-c5cnn(C)c5)c4)cccc23)ccc1C(N)=O ZINC000145544384 JI Annotated Anodyne CN(C)C[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CCO1 ZINC000145552771 JI Annotated Anodyne CN(C)C[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CCO1 ZINC000145552969 JI Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cncc(N)c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145575864 JI Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)cc5N)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145580245 JI Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC[C@@H]6CCCO6)c5)nccc34)cn2)cn1 ZINC000145583607 JI Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC[C@H]6CCCO6)c5)nccc34)cn2)cn1 ZINC000145583802 JI Annotated Anodyne C=C1CC[C@@H]([C@H](CCC=C(C)C)CO[C@H]2OC[C@H](OC(C)=O)[C@@H](O)[C@@H]2O)[C@@H]2C=C(C)CC[C@H]12 ZINC000145838819 JI Annotated Mild CC1CCN(c2nc(C(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000145929440 JI Annotated Anodyne CC1CCN(c2nc(C(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000145929658 JI Annotated Anodyne O=C1Cc2c(ccc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)OC5)n3)c2F)N1 ZINC000145967132 JI Annotated Anodyne CCCC[C@]1(CC)CS(=O)(=O)c2cc(CP(=O)(O)O)c(OC)cc2[C@H](c2ccccc2)N1 ZINC000146015843 JI Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnc(C4CCNCC4)cn3)c2)ccc1OC1CCOCC1 ZINC000146374147 JI Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3ccc(C4CCNCC4)nn3)c2)ccc1OC1CCOCC1 ZINC000146476626 JI Annotated Anodyne Cc1cc(C(N)=O)ccc1-c1nc(C(F)(F)F)nc2c(-n3cnc(-c4cnn(C)c4)c3)cccc12 ZINC000146489935 JI Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ccccc4N(CC4CC4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146495943 JI Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(CC4CC4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146496153 JI Annotated Anodyne Cn1c(OCC2CCN(c3ccc(CN4CCCCC4)cc3)CC2)nc(-c2ccncc2)cc1=O ZINC000146508342 JI Annotated Clean Cn1c(OC2CCN(c3ccc(CN4CCCCC4)cc3)CC2)nc(-c2ccncc2F)cc1=O ZINC000146511995 JI Annotated Clean Cn1c(OCC2CCN(c3ccc(CN4CCCCC4)cc3)CC2)nc(-c2ccncc2F)cc1=O ZINC000146513865 JI Annotated Clean Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(F)c(Br)cc5[nH]4)c3N)ccc2[nH]1 ZINC000146562344 JI Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(CCn4cccn4)c3)c2)ccc1OC1CCOCC1 ZINC000146670046 JI Annotated Anodyne CCc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(C(F)(F)F)cnc12 ZINC000146732244 JI Annotated Anodyne in-vitro C#Cc1cccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(CN5CCCC5)cc4)sc4ncnc2c43)c1 ZINC000146780550 JI Annotated Anodyne Cc1ncc(C#Cc2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1C ZINC000146876347 JI Annotated Mild O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CCO)cn4)ccn23)c1 ZINC000146934253 JI Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn([C@@H]5CCCNC5)c4)ccn23)c1 ZINC000146995474 JI Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn([C@H]5CCCNC5)c4)ccn23)c1 ZINC000146995685 JI Annotated Anodyne COCCNc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 ZINC000147013822 JI Annotated Anodyne CC1(C)C[C@@](O)([C@H](O)[C@@H]2CC[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@@H]1Br ZINC000147042218 JI Annotated Reactive CN1CC(n2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)C1 ZINC000147106225 JI Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCC5)nn4)ccn23)c1 ZINC000147114080 JI Annotated Anodyne COc1cc(OC)nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000147133117 JI Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn([C@@H]5CCNC5)c4)ccn23)c1 ZINC000147167914 JI Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn([C@H]5CCNC5)c4)ccn23)c1 ZINC000147168025 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3cccc(Cl)c3)c(F)c2)CC1 ZINC000147231047 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccccc3Cl)c(F)c2)CC1 ZINC000147232886 JI Annotated Anodyne Cc1cc(=O)n2nc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)sc2n1 ZINC000147311858 JI Annotated Anodyne CN(C)c1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 ZINC000147318129 JI Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2F)C1 ZINC000147338697 JI Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ccccc4N(CC4(C)COC4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147359987 JI Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(CC4(C)COC4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147360181 JI Annotated Anodyne O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccc(F)cc1Cl)NO ZINC000147360921 JI Annotated Bother C[C@@H](Nc1nc(Nc2ccc([S@](=N)(=O)CC3CC3)cc2)ncc1Br)C(C)(C)O ZINC000147362926 JI Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C(=O)[C@H]([C@@H]3CC[C@H]([C@H](CO)[C@@H](O)CCC(C)C)[C@@]3(C)CCO)CC=C2C1 ZINC000147379741 JI Annotated Anodyne CC(C)(CO)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 ZINC000147382238 JI Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ccccc4N(CC(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147421247 JI Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(CC(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147421462 JI Annotated Anodyne CCCOc1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000147482683 JI Annotated Anodyne CCCOc1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000147482896 JI Annotated Anodyne CCN(Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1)C(C)=O ZINC000147822078 JI Annotated Anodyne NC(=O)c1cccnc1COc1cc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc2ncccc12 ZINC000147851282 JI Annotated Anodyne NC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCCCC3=O)cc2)cc2ncccc12 ZINC000147852437 JI Annotated Anodyne NC(=O)c1cccnc1COc1cc(-c2ccc(OCC(F)(F)F)nc2)cc2ncccc12 ZINC000147859655 JI Annotated Anodyne Cc1c(C#N)cnc(-c2nc(CC(=O)NCCc3ccccn3)c(-c3ccccc3)s2)c1O ZINC000147936396 JI Annotated Anodyne C=C/C=C/CNC(=O)c1nc(CC(=O)c2nc(/C=C/c3ccc(OC)c(OC)c3)oc2C)oc1C ZINC000148110209 JI Annotated Anodyne C=C(C)[C@H](O)Cc1c2c(c(O)c3c(=O)c4c(C/C=C(/C)CO)c(O)c(O)cc4oc13)C=CC(C)(C)O2 ZINC000148114182 JI Annotated Mild COc1cc(C(=O)N2CCC3(CC2)CN(CC(F)F)C[C@H](c2ccccn2)O3)ccc1OC(C)C ZINC000148206899 JI Annotated Anodyne COc1cc(C(=O)N2CCC3(CC2)CN(CC(F)F)C[C@@H](c2ccccn2)O3)ccc1OC(C)C ZINC000148207075 JI Annotated Anodyne CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N[C@@H]5CCOC5)nc34)c2)no1 ZINC000148270220 JI Annotated Anodyne CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N[C@H]5CCOC5)nc34)c2)no1 ZINC000148270382 JI Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc12 ZINC000148329903 JI Annotated Anodyne CC(=O)O[C@@H]1CO[C@@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)[C@@H](O)[C@@H]1O ZINC000148334649 JI Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)OC[C@H]1O ZINC000148335798 JI Annotated Anodyne Cc1nc(C)c(CNc2cc(C(=O)NC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc3ccnn23)s1 ZINC000148572033 JI Annotated Anodyne CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(F)(F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148682563 JI Annotated Mild CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccn2C)C1 ZINC000148762788 JI Annotated Anodyne CCNc1ccc(C#Cc2c(CC)ncnc2-c2ccc(C(=O)N3CCC4(CC3)COC4)c(F)c2)cn1 ZINC000148775009 JI Annotated Mild CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cc(N)cc(N)c2)C1 ZINC000148800943 JI Annotated Anodyne CC(C)CN(Cc1cnc2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2cc[nH]c12 ZINC000148823179 JI Annotated Anodyne CC(C)CN(Cc1cnc2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2cc[nH]c12 ZINC000148823404 JI Annotated Anodyne COc1ccc(C(C)C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000148917560 JI Annotated Anodyne Cc1cccc(C)c1-c1nc2c(c(N3CCC[C@@H](O)C3)n1)CN(c1cc(C(C)C)nn1C)CC2 ZINC000149148283 JI Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)/C1=N\O ZINC000149182546 JI Annotated Mild O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000149220487 JI Annotated Anodyne CC(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000149225172 JI Annotated Anodyne CC(=O)N[C@H]1[C@@H](N)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1C ZINC000149225390 JI Annotated Anodyne CC(=O)N[C@@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000149307505 JI Annotated Anodyne COCCN(C)CC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1 ZINC000149368337 JI Annotated Anodyne CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000149445303 JI Annotated Anodyne CC1=CC[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000149538806 JI Annotated Anodyne CC(=O)OC[C@]1(C)CCC[C@]2(C)c3cc(OC(C)=O)c(C(C)C)cc3[C@@H](O)[C@H](OC(C)=O)[C@H]21 ZINC000149602113 JI Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000149625679 JI Annotated Anodyne CC(=O)NCCCC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149644290 JI Annotated Clean CC(=O)NCCCC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149644435 JI Annotated Clean CCOC(=O)[C@@]1(F)C[C@@H]1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149645835 JI Annotated Clean CCOC(=O)[C@]1(F)C[C@@H]1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149646042 JI Annotated Clean CCOC(=O)[C@@]1(F)C[C@H]1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149646263 JI Annotated Clean CCOC(=O)[C@]1(F)C[C@H]1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149646487 JI Annotated Clean COc1ccc(CNc2ccc3c(c2)OC(C)(C)[C@H](OC(=O)[C@H](N)CCSC)[C@@H]3OC)cc1 ZINC000149802410 JI Annotated Anodyne in-vivo COc1ccc(CNc2ccc3c(c2)OC(C)(C)[C@H](OC(=O)[C@H](N)CCSC)[C@H]3OC)cc1 ZINC000149802864 JI Annotated Anodyne in-vivo Cc1nc2ccc(F)cc2nc1-c1cc2nc(N3CCCC3)cc(N[C@H]3CCCC[C@@H]3O)n2n1 ZINC000149833922 JI Annotated Anodyne Cc1ccc(-c2ccc3nc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)sc3c2F)s1 ZINC000149924019 JI Annotated Mild N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5ccc(Cl)cc5)c(F)c4s3)o2)CC1 ZINC000149924683 JI Annotated Mild CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc5c(c4)OCCO5)C3)cc2)s1 ZINC000149956437 JI Annotated Clean N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Br)c1 ZINC000149979627 JI Annotated Anodyne N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2Br)c1 ZINC000149979824 JI Annotated Anodyne C[C@@H](CBr)NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149983450 JI Annotated Unstable C[C@H](CBr)NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149983633 JI Annotated Unstable COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCC2)ccc1F ZINC000149998976 JI Annotated Anodyne O=C(O)C[C@@H]1Nc2cc(/C=C/CCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O ZINC000001539196 JI Annotated Anodyne CC(C)C(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C2=O)C1=O ZINC000001611869 JI Annotated Mild in-vitro biogenic Cc1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1 ZINC000001617772 JI Annotated Bother COc1cc2c3c(c1OC)-c1c(ccc4c1OCO4)C[C@@]3(C#N)N(C(=O)c1ccccc1)CC2 ZINC000001619617 JI Annotated Mild CC(=O)O[C@@H]1O[C@H]2[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC2(OCc1ccccc1)OCc1ccccc1 ZINC000001626050 JI Annotated Anodyne CN(C(=O)C12C3(C(=O)C(C)(C)C)C4C5(C#N)C3C1(C(=O)C(C)(C)C)C5C42C(=O)C(C)(C)C)C(C)(C)C ZINC000001626444 JI Annotated Mild O=C(CC/C=C(/CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001631818 JI Annotated Anodyne COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCCC(=O)O ZINC000001633150 JI Annotated Bother O=C1N=C2SC=C(NC(=S)Nc3ccccc3)N2NC12c1ccccc1-c1ccccc12 ZINC000001636698 JI Annotated Anodyne O=C1/C(=N/CCc2cc(Br)c(O)c(Br)c2)C=C(O)c2cccnc21 ZINC000001642928 JI Annotated Mild CCO[P@]1(=O)N/C(=N/C2=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O2)N(C)C1(C)C ZINC000001643718 JI Annotated Mild Cc1cc(S(=O)(=O)Nc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(S)cc1Cl ZINC000001645166 JI Annotated Anodyne CC(C)[C@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=S)N1CC[S@](=O)c1ccccc1 ZINC000001646945 JI Annotated Anodyne CC(C)[C@]1(O)C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=S)N1CCSc1ccccc1 ZINC000001646947 JI Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000001647605 JI Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](n3cnc4nc(N)nc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000001650299 JI Annotated Anodyne Cc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 ZINC000001650958 JI Annotated Mild Cc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1 ZINC000001650959 JI Annotated Mild Cc1ccc(-c2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001650963 JI Annotated Mild COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 ZINC000001650976 JI Annotated Mild Cc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 ZINC000001650978 JI Annotated Mild COC(=O)c1cc(C(=CCCO)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001652547 JI Annotated Anodyne Nc1c(-c2nc3ccccc3s2)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1cccc(C(=O)O)c1 ZINC000001652626 JI Annotated Bother COc1c(Cl)cc(C(=CCC(=O)O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O ZINC000001652855 JI Annotated Anodyne COC(=O)c1cc(C(=CCCN)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001654534 JI Annotated Anodyne COC(=O)C=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000001654756 JI Annotated Anodyne COC(=O)c1c(C(=O)OC)c2ccc(-c3ccc(Cl)cc3)nn2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001655001 JI Annotated Bother Cc1cn(S(=O)(=O)c2ccccc2)c2c(OCc3ccccc3)cc(NS(C)(=O)=O)cc12 ZINC000001655816 JI Annotated Anodyne O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)[C@@H](SC(=S)N1CCOCC1)c1ccccc1 ZINC000001658301 JI Annotated Anodyne O=c1c2cc(I)ccc2nc(SCc2nncs2)n1Cc1ccccc1 ZINC000001660367 JI Annotated Anodyne COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1O ZINC000001661573 JI Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CNC(=O)[C@]23CCC(=O)N3Cc2ccccc2)c2ccccc21 ZINC000001662103 JI Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CNC(=O)[C@]23CCC(=O)N3Cc2ccccc2)c2ccccc21 ZINC000001662104 JI Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)c2ccccc21 ZINC000001662105 JI Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)c2ccccc21 ZINC000001662106 JI Annotated Anodyne COC(=O)c1c(O)ccc2c1c1c(n2Cc2cc(OC)cc(OC)c2)C(=O)c2ccccc2C1 ZINC000001662845 JI Annotated Anodyne COc1cc(Cn2c3c(c4c(CN(C)C)c(O)ccc42)C(=O)c2ccccc2C3=O)cc(OC)c1 ZINC000001662979 JI Annotated Clean COC(=O)c1c(OC(C)=O)ccc2c1c1c(OC(C)=O)c3ccccc3c(OC(C)=O)c1n2C ZINC000001663204 JI Annotated Bother COC(=O)c1c(O)ccc2c1c1c(n2CCc2ccc(OC)c(OC)c2)C(=O)c2ccccc2C1=O ZINC000001663326 JI Annotated Clean O=C(Nn1c(-c2cccs2)nc2ccc(I)cc2c1=O)c1ccccc1 ZINC000001663519 JI Annotated Anodyne CC(C)/N=C(\N)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(=N)NC(C)C)cc3)n2)cc1 ZINC000001663672 JI Annotated Mild COc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001748786 JI Annotated Anodyne COc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001748792 JI Annotated Anodyne COc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001748834 JI Annotated Anodyne COc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001748843 JI Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000001789786 JI Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000001823868 JI Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000001823869 JI Annotated Anodyne Cc1ccc(O[C@@H]2C[C@H](n3cnc4c(=O)[nH]c(Br)nc43)O[C@H]2Oc2ccc(C)cc2)cc1 ZINC000001857577 JI Annotated Anodyne COc1ccc(C2=C[C@H](C(C)=C(C(N)=O)C(N)=O)C=C(c3ccc(Br)cc3)C2)c(OC)c1 ZINC000001858598 JI Annotated Anodyne Nc1ccc2c(c1)N(C(=O)CCCC(=O)N1C[C@@H](CCl)c3ccc(N)cc31)C[C@H]2CCl ZINC000001858684 JI Annotated Reactive Nc1ccc2c(c1)N(C(=O)CCCC(=O)N1C[C@H](CCl)c3ccc(N)cc31)C[C@H]2CCl ZINC000001858687 JI Annotated Reactive Nc1ccc2c(c1)N(C(=O)CCCC(=O)N1C[C@H](CCl)c3ccc(N)cc31)C[C@@H]2CCl ZINC000001858689 JI Annotated Reactive N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(NC(=O)c1ccccc1)C2=O ZINC000001859614 JI Annotated Mild COC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@@H]3CCl ZINC000001860765 JI Annotated Reactive O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NNC(=O)NC1CCCCC1 ZINC000001860810 JI Annotated Reactive COc1cc(/C=C2\C(=O)N(c3ccccc3)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861020 JI Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3ccccc3)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861026 JI Annotated Anodyne COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)[C@@H]1c1ccccc1 ZINC000001861057 JI Annotated Anodyne COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)[C@H]1c1ccccc1 ZINC000001861062 JI Annotated Anodyne COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S(=O)(=O)[C@@H]2c2ccccc2)cc1 ZINC000001861065 JI Annotated Anodyne COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S(=O)(=O)[C@H]2c2ccccc2)cc1 ZINC000001861068 JI Annotated Anodyne COc1cc(/C=C2\C(=O)N(Cc3ccccc3)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861092 JI Annotated Anodyne COc1cc(/C=C2\C(=O)N(Cc3ccccc3)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861096 JI Annotated Anodyne Cc1ccccc1Nc1cn(CCOc2ccccc2)c(=O)n(CCOc2ccccc2)c1=O ZINC000001861256 JI Annotated Anodyne Cc1cccc(Nc2cn(CCOc3ccccc3)c(=O)n(CCOc3ccccc3)c2=O)c1 ZINC000001861261 JI Annotated Anodyne Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000001893798 JI Annotated Anodyne Cc1c(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000001898321 JI Annotated Anodyne Cc1c(N2C(=O)C(=O)[C@H](C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000001898322 JI Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccs2)cc1Cl ZINC000001902551 JI Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccs2)cc1Cl ZINC000001902565 JI Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccs2)cc1Cl ZINC000001902581 JI Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1 ZINC000001916192 JI Annotated Clean Cc1ccccc1OC[C@H](CO[C@@H](O)C(Cl)(Cl)Cl)O[C@H](O)C(Cl)(Cl)Cl ZINC000001999510 JI Annotated Anodyne in-man CC(C)/C=C/C(=O)N[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1 ZINC000015122126 JI Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000015168338 JI Annotated Anodyne COc1c(O)c2c(c(-c3coc4cc(O)cc(O)c4c3=O)c1CC=C(C)C)C[C@@H](O)C(C)(C)O2 ZINC000015203806 JI Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)ccc3oc4cccc(O)c4c(=O)c13)C2=O ZINC000015211667 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(-c3c(O)ccc4oc5cccc(O)c5c(=O)c34)c(O)c1C2=O ZINC000015211673 JI Annotated Clean O=c1c2c(O)ccc3c4ccc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000015218294 JI Annotated Bother COc1cc(O)c(C(=O)c2ccccc2)c(O)c1-c1cc(O)c2oc3c(O)cccc3c(=O)c2c1O ZINC000015251989 JI Annotated Bother in-man COc1cc(O)c(C(=O)c2ccccc2)c(O)c1-c1cc(O)c(O)c2c(=O)c3cccc(O)c3oc12 ZINC000015251996 JI Annotated Clean in-man endogenous COc1cc([C@@H]2Oc3c(OC)cc(/C=C/c4cc(O)cc(O)c4)cc3[C@H]2CO)cc(OC)c1O ZINC000015262355 JI Annotated Anodyne O=C1C=CC[C@H]([C@H](O)[C@@H](c2ccccc2)c2c(O)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)O1 ZINC000015262911 JI Annotated Anodyne CC1=C[C@@H](c2cc(C=O)c(O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000015265465 JI Annotated Anodyne in-vitro COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)O)c(OC)c3)c(O)c2)c(O)c1 ZINC000015266116 JI Annotated Anodyne Cc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)N[C@@H]1CCOC1 ZINC000150062958 JI Annotated Mild Cc1nc2cc(-n3ncc(C(=O)c4cc(-c5cccnc5)c(-c5cccnc5)[nH]4)c3N)ccc2[nH]1 ZINC000150068235 JI Annotated Anodyne CCc1ccc(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)N[C@@H]1CCOC1 ZINC000150191258 JI Annotated Mild CCc1ccc(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)N[C@H]1CCOC1 ZINC000150191461 JI Annotated Mild CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C5CC5)cc4OC)c3)cnnc21 ZINC000150216396 JI Annotated Anodyne O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(I)cc1 ZINC000150258104 JI Annotated Anodyne O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(I)cc1 ZINC000150258286 JI Annotated Anodyne COc1ccc(C[C@@H](CO)NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 ZINC000150273068 JI Annotated Anodyne CC(C)[C@H]1CN(CC2CCN(C)CC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 ZINC000150297643 JI Annotated Anodyne CC(C)(O)c1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000150335076 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C=CC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000153235289 JI Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000153236175 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000153316355 JI Annotated Mild O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000015785482 JI Annotated Anodyne CCc1nc2nc(CSc3nc4ccc(NC(=O)c5ccco5)cc4s3)cc(O)n2n1 ZINC000015785780 JI Annotated Anodyne COc1ccc(-n2cc(C(=O)c3cc(Br)ccc3O)cc(C#N)c2=O)cc1Cl ZINC000015910830 JI Annotated Mild OCCN(CCCn1c(-c2ccncc2)nc2ccccc21)c1nc(CN2CCCCC2)cs1 ZINC000015924832 JI Annotated Anodyne OCCN(CCCn1c(C(F)(F)F)nc2ccccc21)c1nc(CN2CCCCC2)cs1 ZINC000015924851 JI Annotated Anodyne O=C(NCC1CCCCC1)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCNCC1 ZINC000015924902 JI Annotated Anodyne O=C(NCC1CCCCC1)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCNCC1 ZINC000015924904 JI Annotated Anodyne COC(=O)C1(Cc2cc(-c3ccc(OC)cc3OC)no2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000015934720 JI Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cccc(N3C(=O)N[C@@H]4C[C@@]3(C)Oc3ccc(Cl)cc34)c2)CC1 ZINC000015935206 JI Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cccc(N3C(=O)N[C@H]4C[C@]3(C)Oc3ccc(Cl)cc34)c2)CC1 ZINC000015935207 JI Annotated Anodyne COC(=O)C1=C(C)N(CC2CC2)/C(=N/Cc2cc(OC)c(OC)c(OC)c2)N[C@H]1c1ccccc1 ZINC000015935497 JI Annotated Mild NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000015936214 JI Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000015936215 JI Annotated Bother NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000015936236 JI Annotated Bother NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000015936237 JI Annotated Bother COc1ccc(CCNc2ccc([C@@H](CC(N)=O)NC(=O)c3cc(C)cc(C)c3)cc2[N+](=O)[O-])cc1 ZINC000015936244 JI Annotated Bother COc1ccc(CCNc2ccc([C@H](CC(N)=O)NC(=O)c3cc(C)cc(C)c3)cc2[N+](=O)[O-])cc1 ZINC000015936245 JI Annotated Bother CC(C)OCCCN(C)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000015936504 JI Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(C)c3)C(=O)N1[C@H](c1ccc(OC)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000015936618 JI Annotated Anodyne Cc1ccc(N2C(=O)N3[C@H](c4ccc(F)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(C)C2=O)cc1 ZINC000015936619 JI Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@]21CC ZINC000015936620 JI Annotated Anodyne CC[C@@]12C(=O)N(c3ccccc3)C(=O)N1[C@H](c1cccc(C)c1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000015936621 JI Annotated Anodyne CC[C@@]12C(=O)N(c3ccc(C)cc3)C(=O)N1[C@H](c1ccc(OC)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000015936627 JI Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccccc3)C(=O)[C@@]21Cc1ccccc1 ZINC000015936630 JI Annotated Anodyne C[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000015936654 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@]12C ZINC000015936670 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@]12C ZINC000015936674 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@]12C ZINC000015936680 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3cccc(C)c3)C(=O)[C@]12C ZINC000015936695 JI Annotated Anodyne COC1=CC([N+](=O)[O-])=CC(=C2S/C(=N/c3cc(C)ccc3OC)NN2c2ccccc2)C1=O ZINC000015936911 JI Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CCc2ccccn2)N[C@H]1c1cccc(F)c1 ZINC000015937392 JI Annotated Mild COCCNC1=N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1 ZINC000015937395 JI Annotated Anodyne CC(C)CCNC(=O)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCCC(C)C ZINC000015937438 JI Annotated Anodyne NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000015937541 JI Annotated Bother NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000015937542 JI Annotated Bother c1cc(-c2cn(C[C@H]3CC[C@@H]([C@@H]4CC[C@H](Cn5cc(-c6ccsc6)nn5)O4)O3)nn2)cs1 ZINC000015941108 JI Annotated Anodyne c1c(CC2CCCC2)nnn1C[C@H]1CC[C@@H]([C@@H]2CC[C@H](Cn3cc(CC4CCCC4)nn3)O2)O1 ZINC000015941111 JI Annotated Anodyne CC[C@@H](C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000015942020 JI Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2cccc(N3C(=O)N[C@@H]4C[C@@]3(C)Oc3ccc(C)cc34)c2)CC1 ZINC000015951908 JI Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2cccc(N3C(=O)N[C@H]4C[C@]3(C)Oc3ccc(C)cc34)c2)CC1 ZINC000015951909 JI Annotated Anodyne COc1ccc(OC)c(/N=C(\O)[C@H]2C[C@H]([C@@H](C)O)N[C@@]23C(O)=Nc2c(C)cc(Cl)cc23)c1 ZINC000015972077 JI Annotated Anodyne O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1c(s/c(=C/c3ccc4ccncc4c3)c1=O)=N2 ZINC000015973954 JI Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1c(s/c(=C/c3ccc4ccncc4c3)c1=O)=N2 ZINC000015973955 JI Annotated Mild CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(C)/C(=N\Cc3ccccc3)OC(=O)N2C1=O ZINC000015974522 JI Annotated Mild O=C(O)COc1ccccc1/C=N\NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000015988056 JI Annotated Reactive CC[C@@H](C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)C1=O ZINC000155917390 JI Annotated Mild CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000016051885 JI Annotated Anodyne Cc1cc(OC[C@H](C)Nc2ccncc2)cc(C(=O)N(CCC(=O)NC(C)(C)C)C(C)C)c1 ZINC000016052546 JI Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(O)c([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000016183429 JI Annotated Bother COc1ccccc1[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165134412 JI Annotated Anodyne O=C1OC[C@H](c2ccccc2F)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165156629 JI Annotated Anodyne O=C1OC[C@H](c2ccc(Cl)cn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165175708 JI Annotated Anodyne COc1ccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)cc1 ZINC000165203748 JI Annotated Anodyne O=C1OC[C@H](c2cccc(F)c2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165259831 JI Annotated Anodyne COc1ccc([C@@H]2C[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)C[C@@H]3CCCCN32)cc1O ZINC000165716658 JI Annotated Anodyne CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@@H](O)C[C@@H]1[C@]2(C)C[C@H](OC(C)=O)[C@H]2C[C@]21C ZINC000166192884 JI Annotated Reactive CC#C/C=C\C=C\C[C@@H](O)/C(Br)=C(C)/C=C/C=C/C=C(/C)[C@@H](O)C(C)(C)C(N)=O ZINC000166605717 JI Annotated Mild CC(=O)O[C@H]1[C@@H](O)CO[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)[C@@H]1O ZINC000166722849 JI Annotated Anodyne CC(=O)O[C@H]1CO[C@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)[C@H](O)[C@H]1O ZINC000166723078 JI Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@H]1Oc1c(C)cc2c(c1O)[C@@H](C)CC[C@@H]2[C@@H](C)CCC=C(C)C ZINC000166724033 JI Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@@H](Br)C=C2)c1 ZINC000166936862 JI Annotated Reactive C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@@H](Br)C=C2)c1 ZINC000166936979 JI Annotated Reactive C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@H](Br)C=C2)c1 ZINC000166937087 JI Annotated Reactive C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@H](Br)C=C2)c1 ZINC000166937195 JI Annotated Reactive CC(C)CNc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1 ZINC000166977762 JI Annotated Anodyne CC(C)CNc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1 ZINC000167083540 JI Annotated Anodyne CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CC(NC(=O)c2ccc(OC)c(F)c2)=CCC1 ZINC000167129000 JI Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)C3CCC(C)(O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167324170 JI Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167389516 JI Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167398071 JI Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(F)(F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167415227 JI Annotated Mild O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cn1 ZINC000167725774 JI Annotated Anodyne COc1ccc(Cc2cc(C(=O)C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)c3ccccn23)cc1 ZINC000167763999 JI Annotated Anodyne N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cccnc5)c4)c3)sc2C1 ZINC000167954406 JI Annotated Anodyne N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cccnc5)c4)c3)sc2C1 ZINC000167954646 JI Annotated Anodyne CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(C#N)cc5[nH]4)c3)cc2C1 ZINC000167956193 JI Annotated Mild CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cc(C#N)ccc5n4C)c3)cc2C1 ZINC000167961304 JI Annotated Mild O=C(C[C@@H](O)C(F)(F)F)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 ZINC000168942679 JI Annotated Anodyne CCc1nn(Cc2ccc(C(=O)NCc3cc4ccccc4o3)cc2F)c(CC)c1CC(=O)O ZINC000168943188 JI Annotated Anodyne CC1(c2nc(-c3cc(Cl)cc(NS(C)(=O)=O)c3F)c(-c3ccnc(NCCC#N)n3)[nH]2)CC1 ZINC000169017815 JI Annotated Mild O=C(C[C@@H]1COCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4occc34)CC2)CC1 ZINC000169077008 JI Annotated Anodyne O=C(C[C@H]1COCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4occc34)CC2)CC1 ZINC000169077098 JI Annotated Anodyne Cc1cc(CC(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4CCO5)CC3)CC2)on1 ZINC000169085855 JI Annotated Anodyne CCCc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169216219 JI Annotated Anodyne CCCNc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169244012 JI Annotated Anodyne CC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169250649 JI Annotated Anodyne CC(C)(C)n1c(-c2nc(C3CC3)ccc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169285584 JI Annotated Anodyne C=C1[C@H]2C[C@H]3OC(=O)/C=C\C=C/[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C ZINC000169290213 JI Annotated Mild C=C1[C@H]2C[C@H]3OC(=O)/C=C/C=C\[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C ZINC000169290214 JI Annotated Mild C=C1[C@H]2C[C@H]3OC(=O)/C=C/C=C/[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C ZINC000169290215 JI Annotated Mild CN(C)C12C[C@H](OC(=O)CCN3CCC(O)CC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000169290230 JI Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@@H](O)[C@@H](C)C/C=C\Cc2ccc(F)c(O)c2C(=O)O1 ZINC000169290357 JI Annotated Anodyne N#C[C@@]12C(=O)N3C(=N[C@@H](c4ccco4)N[C@@H]3c3ccco3)[C@@]1(C#N)[C@@H](c1ccco1)NC1=C2CCCC1 ZINC000169290741 JI Annotated Mild N#C[C@]12C(=O)N3C(=N[C@@H](c4ccco4)N[C@@H]3c3ccco3)[C@@]1(C#N)[C@@H](c1ccco1)NC1=C2CCCC1 ZINC000169290742 JI Annotated Mild N#C[C@@]12C(=O)N3C(=N[C@H](c4ccco4)N[C@@H]3c3ccco3)[C@@]1(C#N)[C@@H](c1ccco1)NC1=C2CCCC1 ZINC000169290743 JI Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC(=O)[C@H](OC(C)=O)[C@@]21C ZINC000169291244 JI Annotated Mild CC(=O)O[C@H]1C(=O)C=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(\C)CC[C@@H](OC(=O)C(C)C)[C@]21C ZINC000169291245 JI Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291261 JI Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291262 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291263 JI Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291264 JI Annotated Anodyne CCC(=O)O[C@@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C ZINC000169291706 JI Annotated Anodyne CC(C)CN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 ZINC000169292692 JI Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C\C[C@H]1C[C@@H](O)[C@@H](C)C/C=C\Cc2ccc(F)c(O)c2C(=O)O1 ZINC000169293405 JI Annotated Anodyne CN1CC[C@](O)(c2ccc(Br)cc2)[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000169293787 JI Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)N[C@H](c2ccc(Cl)cn2)COC1=O)NCc1ccc(Cl)cc1 ZINC000169294560 JI Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)N[C@@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000169294739 JI Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000169294794 JI Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)N[C@H](C2CCCCC2)COC1=O)NCc1ccc(Cl)cc1 ZINC000169294800 JI Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccc(Cl)c1 ZINC000169295129 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccccc2)N(C(C)=O)[C@@H]1c1ccccc1 ZINC000169295439 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccccc2)N(C(C)=O)[C@@H]1c1ccccc1 ZINC000169295440 JI Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000169295611 JI Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000169295853 JI Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2)N(C)[C@@H]31 ZINC000169295979 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000169296062 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000169296063 JI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000169296192 JI Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000169296194 JI Annotated Mild COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000169296195 JI Annotated Mild CC(=O)NC1=NN(C(C)=O)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2cccc(F)c2)N[C@@H]1c1cccc(F)c1 ZINC000169296638 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2cccc(F)c2)N[C@@H]1c1cccc(F)c1 ZINC000169296639 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000169297279 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000169297280 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000169297584 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000169297585 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000169297586 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000169297588 JI Annotated Anodyne CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169297627 JI Annotated Anodyne CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169297628 JI Annotated Anodyne COc1cccc([C@@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)c1 ZINC000169298591 JI Annotated Mild COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)c1 ZINC000169298592 JI Annotated Mild COc1cccc([C@H]2N[C@H](c3cccc(OC)c3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)c1 ZINC000169298594 JI Annotated Mild CCN(CC)CC(=O)N[C@@H]1CC2(N3CCN(C)CC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169298836 JI Annotated Anodyne CCN(CC)C(=O)CN[C@@H]1CC2(N3CCN(C)CC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169298853 JI Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169299677 JI Annotated Anodyne O=C1OCC/C=C\CC/C=C\C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21 ZINC000169299753 JI Annotated Mild O=C1OCC/C=C\CC/C=C/C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21 ZINC000169299755 JI Annotated Mild O=C1OCC/C=C/CC/C=C\C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21 ZINC000169299756 JI Annotated Mild CC[C@@H](O)[C@@H](C)/C=C/C=C/[C@@H](O)C[C@@H]1C=C[C@@H]2C[C@@H](C)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)C1=C(O)CNC1=O ZINC000169300016 JI Annotated Mild CC[C@H](O)[C@@H](C)/C=C/C=C/[C@@H](O)C[C@@H]1C=C[C@@H]2C[C@@H](C)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)C1=C(O)CNC1=O ZINC000169300017 JI Annotated Mild CC[C@@H](O)[C@H](C)/C=C/C=C/[C@@H](O)C[C@@H]1C=C[C@@H]2C[C@@H](C)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)C1=C(O)CNC1=O ZINC000169300019 JI Annotated Mild CC[C@H](O)[C@H](C)/C=C/C=C/[C@@H](O)C[C@@H]1C=C[C@@H]2C[C@@H](C)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)C1=C(O)CNC1=O ZINC000169300020 JI Annotated Mild C[C@@H](COC(=O)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C/C#C[C@H]14)S(=O)(=O)c1ccccc1 ZINC000169301027 JI Annotated Mild C[C@H](COC(=O)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C/C#C[C@H]14)S(=O)(=O)c1ccccc1 ZINC000169301028 JI Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1nc2cc(C(=O)NCCOCCO)ccc2n1Cc1ccco1 ZINC000169301401 JI Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1nc2cc(C(=O)NCCOCCO)ccc2n1Cc1ccco1 ZINC000169301402 JI Annotated Anodyne C=C1[C@@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)C[C@@]13O[C@@H]1C[C@@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@@]12C ZINC000169301747 JI Annotated Mild C=C1[C@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)C[C@@]13O[C@@H]1C[C@@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@]21C ZINC000169301749 JI Annotated Mild C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@@H]1C[C@@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@@]12C ZINC000169301750 JI Annotated Mild C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000169302241 JI Annotated Anodyne C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](N)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000169302244 JI Annotated Anodyne COc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000169302654 JI Annotated Anodyne CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C/C(=O)NCCC[C@@H]5NC(=O)C(=C5O)C(=O)CC[C@@H]4C[C@@H]3[C@H]2C[C@H]1C ZINC000169302738 JI Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3C)cc1 ZINC000169303370 JI Annotated Anodyne CO[C@H]1[C@@H]2S[C@@H]2[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)O[C@@H]1C ZINC000169303853 JI Annotated Mild CO[C@H]1[C@@H]2S[C@@H]2[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)O[C@@H]1C ZINC000169303854 JI Annotated Mild CC(C)N1CCN(C2=C(Nc3cccc(Br)c3)C(=O)c3ccccc3C2=O)CC1 ZINC000169304002 JI Annotated Mild O=C(Nc1ccc(F)cc1)[C@@H](c1ccnc2ccccc12)N1CCN(C(=O)c2ccco2)CC1 ZINC000169304083 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H](c1ccnc2ccccc12)N1CCN(C(=O)c2ccco2)CC1 ZINC000169304084 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000169305045 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000169305046 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000169305047 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000169305048 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305170 JI Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305171 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305172 JI Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305173 JI Annotated Anodyne C[C@@H]1CCCN(Cc2cc(CN3CCC[C@@H](C)C3)c(O)c(=O)c(CN3CCC[C@@H](C)C3)c2)C1 ZINC000169305761 JI Annotated Anodyne C[C@H]1CCCN(Cc2cc(CN3CCC[C@@H](C)C3)c(O)c(=O)c(CN3CCC[C@@H](C)C3)c2)C1 ZINC000169305763 JI Annotated Anodyne CN(C[C@@H](O)C1CCCCC1)N1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1CCCCCCC(=O)O ZINC000169305834 JI Annotated Anodyne CN(C[C@H](O)C1CCCCC1)N1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1CCCCCCC(=O)O ZINC000169305835 JI Annotated Anodyne CC(C)(C)NC(=O)c1ccc(F)c(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1 ZINC000169306678 JI Annotated Anodyne C=C1C[C@H]2/C=C(/C)C[C@@H]([C@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C\C=C(\C)CC(=O)/C=C\C[C@@H](C1)O2 ZINC000169306815 JI Annotated Mild C=C1C[C@H]2/C=C(\C)C[C@@H]([C@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C\C=C(\C)CC(=O)/C=C\C[C@@H](C1)O2 ZINC000169306816 JI Annotated Mild C=C1C[C@H]2/C=C(/C)C[C@@H]([C@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C\C=C(\C)CC(=O)/C=C/C[C@@H](C1)O2 ZINC000169306818 JI Annotated Mild C=C1C[C@H]2/C=C(\C)C[C@@H]([C@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C\C=C(\C)CC(=O)/C=C/C[C@@H](C1)O2 ZINC000169306819 JI Annotated Mild Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CSC34CCCC4)nc12 ZINC000169307146 JI Annotated Anodyne Cc1ccc(Oc2nc3ccc(C)cc3cc2/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 ZINC000169307236 JI Annotated Reactive Cc1ccc2nc(Oc3ccc(F)cc3)c(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)cc2c1 ZINC000169307240 JI Annotated Reactive C/C1=C/[C@@H]2[C@H](C/C=C(/C)[C@H](O)[C@@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169307279 JI Annotated Mild C/C1=C\[C@@H]2[C@H](C/C=C(\C)[C@H](O)[C@@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169307281 JI Annotated Mild C/C1=C/[C@@H]2[C@H](C/C=C(\C)[C@H](O)[C@@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169307283 JI Annotated Mild CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCSCC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169307797 JI Annotated Anodyne C=C1CC[C@H]2[C@H](/C=C(/C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000169307836 JI Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308361 JI Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)CC34CC5CC(CC(C5)C3)C4)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308367 JI Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccc(C(F)(F)F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308387 JI Annotated Reactive CCCC(=O)N1CC(=O)/C(=C(\CC23CC4CC(CC(C4)C2)C3)NCCCN2CCCC[C@@H]2C)C1=O ZINC000169309191 JI Annotated Mild CCCC(=O)N1CC(=O)/C(=C(\CC23CC4CC(CC(C4)C2)C3)NCCCN2CCCC[C@H]2C)C1=O ZINC000169309193 JI Annotated Mild CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(-c2ccc(C)cc2)nn1)C(F)(F)F ZINC000169309322 JI Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(-c2ccc(C)cc2)nn1)C(F)(F)F ZINC000169309323 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000169309333 JI Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(-c2ccc(F)cc2)nn1)C(F)(F)F ZINC000169309334 JI Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(-c2ccc(F)cc2)nn1)C(F)(F)F ZINC000169309335 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000169309336 JI Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(-c2cccc(OC)c2)nn1)C(F)(F)F ZINC000169309339 JI Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(-c2cccc(OC)c2)nn1)C(F)(F)F ZINC000169309340 JI Annotated Anodyne C/C1=C/[C@H]2[C@H](C/C=C(/C)[C@H](OC(=O)/C=C/c3ccccc3)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169309656 JI Annotated Mild C/C1=C\[C@H]2[C@H](C/C=C(\C)[C@H](OC(=O)/C=C/c3ccccc3)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169309658 JI Annotated Mild C/C1=C/[C@H]2[C@H](C/C=C(\C)[C@H](OC(=O)/C=C/c3ccccc3)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169309660 JI Annotated Mild CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc(SC)cc3)cc21 ZINC000169309844 JI Annotated Anodyne CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(SC)cc3)cc21 ZINC000169309845 JI Annotated Anodyne CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc(Br)cc3)cc21 ZINC000169309893 JI Annotated Anodyne CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(Br)cc3)cc21 ZINC000169309895 JI Annotated Anodyne CCCCC(CCCC)(c1ccc(OS(N)(=O)=O)c(C)c1)c1ccc(OS(N)(=O)=O)c(C)c1 ZINC000169309975 JI Annotated Anodyne CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(C)=O)c1-c1ccc(O)cc1 ZINC000169311064 JI Annotated Anodyne CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cn2)c1 ZINC000169311682 JI Annotated Anodyne COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3c(F)cccc23)cc1 ZINC000169313177 JI Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3c(F)cccc23)cc1 ZINC000169313178 JI Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2coc3ccccc23)cc1 ZINC000169313187 JI Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2coc3ccccc23)cc1 ZINC000169313188 JI Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCO)C[C@@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314383 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccccc3)N(C(C)=O)[C@@H](c3ccccc3)[C@@H]2C)S1 ZINC000169315876 JI Annotated Anodyne OCCN1CCN(CC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccc(Cl)cc23)CC1 ZINC000169316313 JI Annotated Anodyne COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)OCC(Cl)(Cl)Cl)OCO4 ZINC000169319063 JI Annotated Anodyne O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Br)cc1 ZINC000169321877 JI Annotated Bother O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1ccc(Br)cc1 ZINC000169321883 JI Annotated Bother COc1ccc(SC[C@@H](O)COc2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)cc1 ZINC000169321937 JI Annotated Bother COc1ccc(SC[C@H](O)COc2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)cc1 ZINC000169321939 JI Annotated Bother COc1ccc(Cc2nccc3ccccc23)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1OC ZINC000169323671 JI Annotated Anodyne COc1ccc(Cc2nccc3ccccc23)c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1OC ZINC000169323673 JI Annotated Anodyne COc1ccc(Cc2nccc3ccccc23)c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1OC ZINC000169323675 JI Annotated Anodyne CS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000169323985 JI Annotated Clean O=C(O[C@@H]1C=C[C@@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169324080 JI Annotated Anodyne O=C(O[C@H]1C=C[C@@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169324082 JI Annotated Anodyne O=C(O[C@@H]1C=C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169324085 JI Annotated Anodyne O=C(O[C@H]1C=C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169324086 JI Annotated Anodyne CCN(C(C)=O)/C(C)=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C)N(CC)C(C)=O)cc1C2=O ZINC000169324876 JI Annotated Mild COc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1 ZINC000169325261 JI Annotated Clean Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCCCC(=O)O)C3=O)c3ccccc32)cc1 ZINC000169325266 JI Annotated Clean COc1c(CN2CCC[C@H](n3cc(C)c(=O)[nH]c3=O)C2)cccc1Oc1cc(F)cc(Cl)c1 ZINC000169325517 JI Annotated Anodyne N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@@H](Cc1ccccc1)CN2Cc1ncc[nH]1 ZINC000169326230 JI Annotated Mild O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)c2ccccn12 ZINC000169326238 JI Annotated Anodyne O=C(O)c1cn(Cc2ccccc2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326756 JI Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1c1cc(F)cc(F)c1 ZINC000169327167 JI Annotated Anodyne CCCCCCc1ccc(C(=O)NCCn2cc(C[C@@]34CCN[C@@H]3Nc3ccccc34)nn2)cc1 ZINC000169327275 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327870 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(F)c2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327875 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(OC)c2OC)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327882 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(C#N)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327886 JI Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(F)c(F)c2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327891 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2F)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327897 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327901 JI Annotated Clean N#CC1(c2ccccn2)CCN(Cc2cc3c(c4ccccc24)CN([C@@H]2CCCOC2)C3=O)CC1 ZINC000169327902 JI Annotated Mild N#CC1(c2ccccn2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCOC2)C3=O)CC1 ZINC000169327904 JI Annotated Mild N#CC1(c2ccccn2)CCN(Cc2cc3c(c4ccccc24)CN(C2CCOCC2)C3=O)CC1 ZINC000169327906 JI Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327909 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2OC)N(c2ccccc2)O[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327924 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2OC)N(c2ccccc2)O[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327929 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327933 JI Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327936 JI Annotated Mild O=C1O/C(=C\Cn2cc(-c3ccccn3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169328362 JI Annotated Anodyne O=C1N[C@@](O)(CCn2cc(C3=CCCCC3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169328382 JI Annotated Anodyne O=C1N[C@](O)(CCn2cc(C3=CCCCC3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169328383 JI Annotated Anodyne Cc1ccc(-c2cn(CC[C@@]3(O)NC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)nn2)cc1 ZINC000169328385 JI Annotated Anodyne Cc1ccc(-c2cn(CC[C@]3(O)NC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)nn2)cc1 ZINC000169328387 JI Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C(=O)O)n2)[C@@]13C(=O)O ZINC000169328516 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C(=O)O)n2)[C@@]13C(=O)O ZINC000169328518 JI Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C(=O)O)n2)[C@@]13C(=O)O ZINC000169328521 JI Annotated Mild CCCc1cn(CC[C@@]2(O)C(OCc3ccccc3)=C(OCc3ccccc3)C(=O)N2CCC)nn1 ZINC000169328865 JI Annotated Anodyne CCCc1cn(CC[C@]2(O)C(OCc3ccccc3)=C(OCc3ccccc3)C(=O)N2CCC)nn1 ZINC000169328867 JI Annotated Anodyne COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169328965 JI Annotated Reactive COc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169328968 JI Annotated Reactive COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169328969 JI Annotated Reactive COc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169328970 JI Annotated Reactive Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCCCC4)cn3)c3cc(C)oc3c2)cn1 ZINC000169329208 JI Annotated Anodyne Cc1cc2c(Oc3cnc(C(=O)N(C)C)cn3)cc(C(=O)Nc3cnc(C(F)(F)F)cn3)cc2o1 ZINC000169329225 JI Annotated Anodyne C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(N)cc45)cc3)cc2N)cc1 ZINC000169329261 JI Annotated Anodyne Cc1cn(-c2ccc(-c3cn(CC(=O)Nc4cc(C5CC5)nn4-c4ccccc4)nn3)cc2)cn1 ZINC000169329468 JI Annotated Anodyne Cc1cn([C@H]2CCCN([C@@H](CC(C)C)c3ccc(Br)c(F)c3F)C2)c(=O)[nH]c1=O ZINC000169329996 JI Annotated Anodyne Cc1cn([C@H]2CCCN([C@H](CC(C)C)c3ccc(Br)c(F)c3F)C2)c(=O)[nH]c1=O ZINC000169329997 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000169330105 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000169330108 JI Annotated Anodyne CCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCC ZINC000169330129 JI Annotated Mild COc1ccc(COC/C=C(\C)[C@@H]2C/C=C/[C@H](OC(C)=O)[C@](C)(O)CCCCC(=O)O2)cc1 ZINC000169330353 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCSCC2)[C@@H]1c1ccccc1 ZINC000169332019 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCSCC2)[C@@H]1c1ccccc1 ZINC000169332021 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)Cn2nnc3ccccc32)[C@@H]1c1ccccc1 ZINC000169332078 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)Cn2nnc3ccccc32)[C@@H]1c1ccccc1 ZINC000169332080 JI Annotated Anodyne CCCC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCC=C(Br)C1=O ZINC000169332086 JI Annotated Anodyne COc1cc2[nH]c(C)c(CCN3CCN(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)c2cc1OC ZINC000169332569 JI Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@H](CCc2ccccc2)[C@@H](C(=O)NCCCOC(C)C)[C@@H]1C ZINC000169333147 JI Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@H](CCc2ccccc2)[C@H](C(=O)NCCCOC(C)C)[C@@H]1C ZINC000169333149 JI Annotated Anodyne O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1Cl)c1cccc2c1OCCO2 ZINC000169333371 JI Annotated Bother O=C1C(NS(=O)(=O)c2ccccc2)=C(Oc2ccc(Br)cc2)C(=O)c2ccccc21 ZINC000169333489 JI Annotated Mild Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3c(F)cccc3F)C(=O)c3ccccc3C2=O)c1 ZINC000169333533 JI Annotated Mild Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccc(F)cc3)C(=O)c3ccccc3C2=O)c1 ZINC000169333543 JI Annotated Mild CCN1C(NCCc2ccc(Br)cc2)=N[C@H](c2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000169334120 JI Annotated Anodyne CCN1C(NCCc2ccc(Br)cc2)=N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000169334122 JI Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169334316 JI Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169334319 JI Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169334322 JI Annotated Anodyne COc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169334325 JI Annotated Anodyne COC(=O)N1[C@@H]2CC(=O)O[C@@H]3c4cc5c(cc4[C@@]1(C)[C@@]3(Br)c1ccccc12)OCO5 ZINC000169335407 JI Annotated Anodyne COC(=O)N1[C@@H]2CC(=O)O[C@H]3c4cc5c(cc4[C@@]1(C)[C@@]3(Br)c1ccccc12)OCO5 ZINC000169335409 JI Annotated Anodyne O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc(Cl)c1)c1cccc2c1OCCO2 ZINC000169337248 JI Annotated Bother O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1c(F)cccc1Cl)c1cccc2c1OCCO2 ZINC000169337277 JI Annotated Bother C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C\c1ccc2c(c1)[n+]([O-])c(C)c(C)[n+]2[O-] ZINC000169338378 JI Annotated Mild COC(=O)C1=C(C)[C@H](O)[C@@H](C)[C@@](C)(c2cc(OC)c(C)c(OC)c2COc2ccccc2)O1 ZINC000169338673 JI Annotated Anodyne COC(=O)C1=C(C)[C@H](O)[C@H](C)[C@@](C)(c2cc(OC)c(C)c(OC)c2COc2ccccc2)O1 ZINC000169338676 JI Annotated Anodyne O=C(NC[C@@H]1NCCc2ccccc21)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169339407 JI Annotated Anodyne O=C(NC[C@H]1NCCc2ccccc21)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169339409 JI Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000169339760 JI Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000169339762 JI Annotated Anodyne O=C1C(NS(=O)(=O)c2ccc(Br)cc2)=C(c2ccccc2)C(=O)c2ccccc21 ZINC000169340176 JI Annotated Mild CC(C)c1ccc2c(c1C(=O)C[C@@H](C(=O)NC1CCCCC1)N1CCN(C)CC1)CCCC2 ZINC000169340230 JI Annotated Anodyne CC(C)c1ccc2c(c1C(=O)C[C@H](C(=O)NC1CCCCC1)N1CCN(C)CC1)CCCC2 ZINC000169340232 JI Annotated Anodyne CCN(CC)CCOc1ccc(-c2csc3nc(=O)c(Cc4ccc(OC)cc4)nn23)cc1 ZINC000169341235 JI Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3cccnc3)[C@@H]2C(=O)NC2CCCC2)cc1 ZINC000169341546 JI Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3cccnc3)[C@H]2C(=O)NC2CCCC2)cc1 ZINC000169341547 JI Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(C)CCC3=O)C(=O)N2 ZINC000169341639 JI Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(C)CCC3=O)C(=O)N2 ZINC000169341642 JI Annotated Anodyne Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccn5)nc4C3)ncc2Cl)c(C)c1 ZINC000169342753 JI Annotated Anodyne Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccnc5)nc4C3)ncc2Cl)c(C)c1 ZINC000169342754 JI Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(NC[C@@H]3CCC[C@@H](CN)C3)nc(N[C@@H](C)C(C)(C)C)n2)c1 ZINC000169342837 JI Annotated Anodyne COc1ccc([C@@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000169343393 JI Annotated Anodyne COc1ccc([C@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000169343396 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1ccccc1F)C2 ZINC000169344229 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2C[C@@H](c3ccccc3F)C[C@@H]1Cc1[nH]ncc12 ZINC000169344231 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1cccc(F)c1)C2 ZINC000169344233 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2C[C@@H](c3cccc(F)c3)C[C@@H]1Cc1[nH]ncc12 ZINC000169344235 JI Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1)C1=NC=N[C@@H]2[C@@H]1N=CN2c1ccc(OC(F)(F)F)cc1 ZINC000169344400 JI Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)C1=NC=N[C@@H]2[C@@H]1N=CN2c1ccc(OC(F)(F)F)cc1 ZINC000169344401 JI Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1)C1=NC=N[C@H]2[C@@H]1N=CN2c1ccc(OC(F)(F)F)cc1 ZINC000169344402 JI Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)C1=NC=N[C@H]2[C@@H]1N=CN2c1ccc(OC(F)(F)F)cc1 ZINC000169344403 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1ccc(F)cc1)C2 ZINC000169344502 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2C[C@@H](c3ccc(F)cc3)C[C@@H]1Cc1[nH]ncc12 ZINC000169344505 JI Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1nc3ccccc3[nH]1)C2 ZINC000169344732 JI Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2C[C@@H](c3nc4ccccc4[nH]3)C[C@@H]1Cc1[nH]ncc12 ZINC000169344734 JI Annotated Anodyne C[C@@H]1CO[C@@]2(C)Oc3c4c(c5c(c3C[C@@H]12)O[C@]1(C)OC[C@H](C)[C@H]1C5)O[C@]1(C)OC[C@H](C)[C@H]1C4 ZINC000169345869 JI Annotated Anodyne C[C@H]1CO[C@@]2(C)Oc3c4c(c5c(c3C[C@@H]12)O[C@]1(C)OC[C@H](C)[C@H]1C5)O[C@]1(C)OC[C@H](C)[C@H]1C4 ZINC000169345871 JI Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O5)C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12 ZINC000169345873 JI Annotated Anodyne C[C@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O5)C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12 ZINC000169345875 JI Annotated Anodyne O=C1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZINC000169345888 JI Annotated Anodyne O=C1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZINC000169345890 JI Annotated Anodyne CC1COC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)OC1 ZINC000169345995 JI Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCC1(CO2)CC(O)C1 ZINC000169346005 JI Annotated Anodyne CCN1CC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)OC1=O ZINC000169346011 JI Annotated Anodyne O=c1[nH]n2c(=O)n(Cc3ccc(C(F)(F)F)nc3)nc2c(-c2ccncc2)c1-c1ccc(Cl)cc1 ZINC000169346539 JI Annotated Anodyne C=C1CC[C@@H]2[C@](C)(COC(=O)c3ccc(OC)nc3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346702 JI Annotated Mild CC(C)Oc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1NC(=O)c1cnccn1 ZINC000169346746 JI Annotated Clean C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(C#N)cc1 ZINC000169346929 JI Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000169346934 JI Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(N)cc1 ZINC000169346936 JI Annotated Mild CCOC(=O)c1ccc(OCCCCCCSc2ncc([N+](=O)[O-])n2C)c([N+](=O)[O-])c1 ZINC000169347001 JI Annotated Bother COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12 ZINC000169347093 JI Annotated Bother O=S(=O)(Nc1cc(CCCCO)c(O)c2ccccc12)c1ccc(Br)cc1 ZINC000169348358 JI Annotated Clean C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(COc4ccc(C(C)C)cc4C)nn3)CC(=O)[C@@]21C ZINC000169349672 JI Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000169349989 JI Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000169349990 JI Annotated Anodyne CCCOc1ccc(/C=C/C(=O)O[C@H]2C[C@@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169350256 JI Annotated Anodyne CCCOc1ccc(/C=C/C(=O)O[C@H]2C[C@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169350257 JI Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(Br)cc1 ZINC000169350265 JI Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(Br)cc1 ZINC000169350266 JI Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2cnccn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169351763 JI Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ncccn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169351764 JI Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccnn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169351765 JI Annotated Mild O=C(NCc1ccc(F)cc1F)c1c(NCCCCc2ccccc2)c2cccnc2n(O)c1=O ZINC000169352009 JI Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2Br)[nH]n1 ZINC000169352578 JI Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2Br)[nH]n1 ZINC000169352580 JI Annotated Anodyne O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000169352595 JI Annotated Bother O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000169352596 JI Annotated Bother COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 ZINC000169352870 JI Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(N)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353314 JI Annotated Mild O=C(O)[C@@H]1C[C@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000169354165 JI Annotated Anodyne O=C(O)[C@H]1C[C@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000169354166 JI Annotated Anodyne O=C1c2ccccc2[C@@](N[C@H](CO)[C@@H](O)c2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000169354760 JI Annotated Anodyne O=C1c2ccccc2[C@](N[C@H](CO)[C@@H](O)c2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000169354761 JI Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000169355073 JI Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000169355074 JI Annotated Anodyne CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000169355075 JI Annotated Anodyne CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000169355076 JI Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@@H](O)[C@@H](CO)C[C@H](OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000169355222 JI Annotated Mild C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]21 ZINC000169355338 JI Annotated Anodyne C[C@@H]1c2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 ZINC000169355339 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]21 ZINC000169355340 JI Annotated Anodyne C[C@@H]1c2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]12 ZINC000169355341 JI Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169355491 JI Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169355492 JI Annotated Mild O=C([C@@H]1NN2[C@@H](N[C@@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000169355957 JI Annotated Reactive O=C([C@H]1NN2[C@@H](N[C@@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000169355958 JI Annotated Reactive CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@@H](C(C)=O)[C@H](C(C(C)=O)C(C)=O)C[C@@H]32)C1 ZINC000169356070 JI Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)[C@H](C(C(C)=O)C(C)=O)C[C@H]4[C@@H]3CC[C@@H]2C1 ZINC000169356072 JI Annotated Anodyne CN1CCN(CCC(=O)O[C@@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356598 JI Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356599 JI Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](CCO/N=C\[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000169357142 JI Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCO/N=C/[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000169357143 JI Annotated Mild CC(=O)OC[C@H]1O[C@@H](CCO/N=C\[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000169357144 JI Annotated Mild CC(=O)OC[C@H]1O[C@@H](CCO/N=C/[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000169357145 JI Annotated Mild C[C@@H]1O[C@H](SCCCc2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169359154 JI Annotated Anodyne C[C@H]1O[C@H](SCCCc2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169359155 JI Annotated Anodyne COC[C@@H]1C[C@H](OC)[C@@H](O)CC/C=C(C)/C=C\[C@@H](O)[C@H](C)/C=C(C)/C=C(C)/C=C(\C)C(=O)O1 ZINC000169361627 JI Annotated Anodyne COC[C@@H]1C[C@H](OC)[C@@H](O)CC/C=C(C)\C=C/[C@@H](O)[C@H](C)/C=C(C)/C=C(C)/C=C(\C)C(=O)O1 ZINC000169361628 JI Annotated Anodyne COC[C@@H]1C[C@H](OC)[C@@H](O)CC/C=C(C)\C=C\[C@@H](O)[C@H](C)/C=C(C)/C=C(C)/C=C(\C)C(=O)O1 ZINC000169361630 JI Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000169362211 JI Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000169362212 JI Annotated Anodyne O=C1O[C@H]2C=CC=CC2=C2Oc3c(c(=O)oc4ccccc34)[C@@H](c3c(O)c4ccccc4oc3=O)[C@@H]12 ZINC000169362586 JI Annotated Anodyne O=C1O[C@H]2C=CC=CC2=C2Oc3c(c(=O)oc4ccccc34)[C@H](c3c(O)c4ccccc4oc3=O)[C@@H]12 ZINC000169362587 JI Annotated Anodyne O=C1O[C@@H]2C=CC=CC2=C2Oc3c(c(=O)oc4ccccc34)[C@@H](c3c(O)c4ccccc4oc3=O)[C@@H]12 ZINC000169362588 JI Annotated Anodyne O=C1O[C@@H]2C=CC=CC2=C2Oc3c(c(=O)oc4ccccc34)[C@H](c3c(O)c4ccccc4oc3=O)[C@@H]12 ZINC000169362589 JI Annotated Anodyne O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000169362737 JI Annotated Anodyne CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C\C=C\[C@@]1(C)[C@@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C ZINC000169363523 JI Annotated Anodyne CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C\C=C\[C@]1(C)[C@@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C ZINC000169363525 JI Annotated Anodyne CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C\C=C\[C@@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C ZINC000169363527 JI Annotated Anodyne CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C\C=C\[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C ZINC000169363528 JI Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)[C@@H]2CC#C/C=C/C#C[C@@H](OC(=O)Cc3cccc4ccccc34)[C@H]21 ZINC000169364253 JI Annotated Mild CC(C)(C)OC(=O)N1C(=O)[C@@H]2CC#C/C=C/C#C[C@@H](OC(=O)CCc3cccc4ccccc34)[C@H]21 ZINC000169364324 JI Annotated Mild CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C\C(=O)NCCC[C@H]5C=C(C(=O)/C=C\[C@@H]4C[C@H]3[C@H]2C[C@H]1C)C(=O)N5 ZINC000169364425 JI Annotated Mild CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C/C(=O)NCCC[C@H]5C=C(C(=O)/C=C\[C@@H]4C[C@H]3[C@H]2C[C@H]1C)C(=O)N5 ZINC000169364426 JI Annotated Mild CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C/C(=O)NCCC[C@H]5C=C(C(=O)/C=C/[C@@H]4C[C@H]3[C@H]2C[C@H]1C)C(=O)N5 ZINC000169364427 JI Annotated Mild CC(C)(C)OC(=O)N1C(=O)[C@@H]2CC#C/C=C/C#C[C@@H](OC(=O)CCc3ccc4ccccc4c3)[C@H]21 ZINC000169364695 JI Annotated Mild Cc1nnc2n1C1=C(C(c3ccccc3Cl)=N[C@H]2C)[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2S1 ZINC000169366227 JI Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccc(OC)c(OC)c4)C[C@@H](C)O)[C@H]3C[C@@H]12 ZINC000169366569 JI Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccc(OC)c(OC)c4)C[C@@H](C)O)[C@H]3C[C@H]12 ZINC000169366570 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4O[C@H](C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000169366986 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4O[C@H](C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000169366987 JI Annotated Mild Cc1nc(/C=C/[C@@H]2C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000169369666 JI Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(\C)CC[C@H](OC(=O)C=C(C)C)[C@@]12C ZINC000169369672 JI Annotated Anodyne CCC/C=C/C[C@@H]1C/C=C\C=C(C)\C=C/C=C\[C@@H](O)C[C@@H](O)[C@@H](O)/C=C\C=C/C=C\C(=O)N1 ZINC000169369708 JI Annotated Anodyne CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C\C=C/[C@@H](O)C[C@@H](O)[C@@H](O)/C=C\C=C/C=C\C(=O)N1 ZINC000169369709 JI Annotated Anodyne CCC/C=C/C[C@@H]1C/C=C\C=C(C)/C=C\C=C/[C@@H](O)C[C@@H](O)[C@@H](O)/C=C\C=C/C=C\C(=O)N1 ZINC000169369710 JI Annotated Anodyne CCC/C=C/C[C@@H]1C/C=C/C=C(C)\C=C/C=C\[C@@H](O)C[C@@H](O)[C@@H](O)/C=C\C=C/C=C\C(=O)N1 ZINC000169369711 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000169370565 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000169370566 JI Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169370609 JI Annotated Anodyne CN1CCN(CC(=O)O[C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169370610 JI Annotated Anodyne CN(C)C12C[C@H](OC(=O)CN3CCC(O)CC3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000169371202 JI Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccn2C)[C@@]13C(=O)O ZINC000169373086 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccn2C)[C@@]13C(=O)O ZINC000169373087 JI Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccn2C)[C@@]13C(=O)O ZINC000169373088 JI Annotated Mild CC(=O)CC1N(S(=O)(=O)c2ccc(C)cc2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1 ZINC000169417584 JI Annotated Anodyne C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000169638162 JI Annotated Mild CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2OC(C)=O ZINC000169645313 JI Annotated Anodyne C=C1CC[C@H]2[C@@H](OC(=O)[C@]2(O)C[C@@]2(C)CCC(=O)[C@@]3(C)CC[C@@H]4C(=C)C(=O)O[C@H]4[C@@H]32)[C@@H]2C(=C)CC[C@H]12 ZINC000169669372 JI Annotated Mild COc1cc(CN2c3ccc(CCC(=O)NO)cc3N[C@@H]2CCc2ccccc2)cc(O)c1OC ZINC000169684418 JI Annotated Bother COc1cc(CN2c3ccc(CCC(=O)NO)cc3N[C@H]2CCc2ccccc2)cc(O)c1OC ZINC000169684419 JI Annotated Bother C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169685402 JI Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CF)c12 ZINC000169686618 JI Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CF)c12 ZINC000169686619 JI Annotated Anodyne CCCCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OCC)CCC3=C(C#N)C(=N)C2(C#N)C#N)cc1OC ZINC000169686635 JI Annotated Reactive CCCCOc1ccc([C@H]2[C@@H]3CN(C(=O)OCC)CCC3=C(C#N)C(=N)C2(C#N)C#N)cc1OC ZINC000169686636 JI Annotated Reactive Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC[C@@H](C)F)c12 ZINC000169686689 JI Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC[C@H](C)F)c12 ZINC000169686690 JI Annotated Anodyne CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OCC)c3)[C@H]2C1 ZINC000169686885 JI Annotated Reactive Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000169687252 JI Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000169687253 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)cc1 ZINC000169687421 JI Annotated Anodyne CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(=N)[C@@H](C#N)[C@@H]1c1cccnc1 ZINC000169687482 JI Annotated Mild CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(=N)[C@H](C#N)[C@@H]1c1cccnc1 ZINC000169687483 JI Annotated Mild Clc1ccc(-c2ccc(C/N=N/c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 ZINC000169687802 JI Annotated Clean CN(C)CCCN(C(=O)c1ccc(-n2c(O)ccc2O)cc1)c1nc2c(F)cccc2s1 ZINC000169687920 JI Annotated Anodyne COC(=O)c1c(-n2c(O)c3c(c2O)[C@]2(C(=O)Nc4c(C)cc(C)cc42)N2CCC[C@@H]32)sc(C)c1C ZINC000169687928 JI Annotated Anodyne Oc1cc(N2CCCN(c3cc(O)n(-c4ccc(F)cc4)c3O)CC2)c(O)n1-c1ccc(F)cc1 ZINC000169688009 JI Annotated Anodyne COc1ccc(NC(=O)Cc2c(O)n(-c3ccc(F)cc3)c(=S)n2NC(=O)c2ccccc2)cc1 ZINC000169688078 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3N3CCCC3=O)cc2)no1 ZINC000169688257 JI Annotated Mild COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 ZINC000169688307 JI Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)O ZINC000169688308 JI Annotated Anodyne O=[N+]([O-])c1cc(Br)c(O)c(C/N=N/c2nnnn2-c2cccc3ccccc23)c1 ZINC000169688371 JI Annotated Clean CCOC(=O)[C@@H]1C(c2ccccc2)=NC(N)=N[C@@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 ZINC000169688715 JI Annotated Anodyne CCOC(=O)[C@H]1C(c2ccccc2)=NC(N)=N[C@@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 ZINC000169688716 JI Annotated Anodyne CCOC(=O)[C@@H]1C(c2ccccc2)=NC(N)=N[C@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 ZINC000169688717 JI Annotated Anodyne CCOC(=O)[C@H]1C(c2ccccc2)=NC(N)=N[C@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 ZINC000169688718 JI Annotated Anodyne COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(=N)[C-]2C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000169688861 JI Annotated Mild COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(=N)[C-]2C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000169688862 JI Annotated Mild CCOc1ccc(-n2c(O)c(/C=N/c3ccnn3Cc3ccncc3)c3ccccc3c2=O)cc1 ZINC000169688897 JI Annotated Mild C=CCOc1cccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169689016 JI Annotated Mild C=CCOc1cccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169689017 JI Annotated Mild CCCCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169689022 JI Annotated Anodyne CCCCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169689023 JI Annotated Anodyne CSc1nnc(-c2ccccc2/N=C/c2c(C)[nH]n(-c3ccc4ccccc4c3)c2=O)c(=O)[nH]1 ZINC000169689089 JI Annotated Mild Cc1c(N2C(=O)C(=O)[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000169689096 JI Annotated Anodyne Cc1c(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000169689097 JI Annotated Anodyne CCOc1cc(C/N=N/c2nc(O)c(CC(=O)O)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000169689115 JI Annotated Clean CCOC(=O)[C@@H]1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000169689117 JI Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000169689118 JI Annotated Mild Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@H](C(=O)O)[C@@H]4CC[C@H]3O4)c2C(=O)OC(C)C)cc1 ZINC000169689385 JI Annotated Anodyne Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@H]3C(=O)O)c2C(=O)OC(C)C)cc1 ZINC000169689386 JI Annotated Anodyne Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@H]3C(=O)O)c2C(=O)OC(C)C)cc1 ZINC000169689387 JI Annotated Anodyne CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000169689437 JI Annotated Anodyne CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000169689438 JI Annotated Anodyne CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3c(C)[nH]n(-c4ccc(C)c(C)c4)c3=O)cc2)s1 ZINC000169689742 JI Annotated Mild COc1cc(-c2nc3n(n2)[C@H](c2cccc(OC)c2OC)[C@@H]2C(=O)CCCC2=N3)cc(OC)c1OC ZINC000169689922 JI Annotated Anodyne COc1cc(-c2nc3n(n2)[C@@H](c2cccc(OC)c2OC)[C@H]2C(=O)CCCC2=N3)cc(OC)c1OC ZINC000169689923 JI Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccs2)cc1Cl ZINC000169689948 JI Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccccc2C)c2c1c(O)n(-c1ccc3c(c1)OCO3)c2O ZINC000169689962 JI Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2C)c2c1c(O)n(-c1ccc3c(c1)OCO3)c2O ZINC000169689963 JI Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccccc2C)c2c1c(O)n(-c1ccc3c(c1)OCO3)c2O ZINC000169689964 JI Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccccc2C)c2c1c(O)n(-c1ccc3c(c1)OCO3)c2O ZINC000169689965 JI Annotated Anodyne COC(=O)c1c(-n2c(O)c3c(c2O)[C@]2(C(=O)Nc4c(C)cccc42)N2CCC[C@@H]32)sc(C)c1C ZINC000169690006 JI Annotated Anodyne COc1ccc(OC)c(/N=C2\SCCCN2C(=O)c2ccc(-n3c(O)ccc3O)cc2)c1 ZINC000169690099 JI Annotated Mild COc1cc([C@@H]2c3sc(=O)[nH]c3Sc3c2c(O)n(-c2ccc(C)cc2)c3O)ccc1O ZINC000169690398 JI Annotated Anodyne COc1cc([C@H]2c3sc(=O)[nH]c3Sc3c2c(O)n(-c2ccc(C)cc2)c3O)ccc1O ZINC000169690399 JI Annotated Anodyne Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000169691080 JI Annotated Anodyne CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(=N)[C@@H](C#N)[C@@H]1c1cccc(OC)c1OC ZINC000169691474 JI Annotated Mild CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(=N)[C@H](C#N)[C@@H]1c1cccc(OC)c1OC ZINC000169691475 JI Annotated Mild CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@@H](O)[C@@H](C(=O)OCC)[C@@H](c1ccc(OC)cc1)C2 ZINC000169691508 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@H](O)[C@@H](C(=O)OCC)[C@@H](c1ccc(OC)cc1)C2 ZINC000169691509 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@@H](O)[C@H](C(=O)OCC)[C@@H](c1ccc(OC)cc1)C2 ZINC000169691510 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@H](O)[C@H](C(=O)OCC)[C@@H](c1ccc(OC)cc1)C2 ZINC000169691511 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@@H](O)[C@@H](C(=O)OCC)[C@@H](c1ccccc1OC)C2 ZINC000169691512 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@H](O)[C@@H](C(=O)OCC)[C@@H](c1ccccc1OC)C2 ZINC000169691513 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@@H](O)[C@H](C(=O)OCC)[C@@H](c1ccccc1OC)C2 ZINC000169691514 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@H](O)[C@H](C(=O)OCC)[C@@H](c1ccccc1OC)C2 ZINC000169691515 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@@H](O)[C@@H](C(=O)OCC)[C@@H](c1cccc(OC)c1)C2 ZINC000169691516 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@H](O)[C@@H](C(=O)OCC)[C@@H](c1cccc(OC)c1)C2 ZINC000169691517 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@@H](O)[C@H](C(=O)OCC)[C@@H](c1cccc(OC)c1)C2 ZINC000169691518 JI Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1ccccn1)[C@H](O)[C@H](C(=O)OCC)[C@@H](c1cccc(OC)c1)C2 ZINC000169691519 JI Annotated Anodyne O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)CC1 ZINC000169691839 JI Annotated Anodyne O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@@H]32)CC1 ZINC000169691840 JI Annotated Anodyne O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)CC1 ZINC000169691841 JI Annotated Anodyne O=C(O)CC[C@@H](/N=N/c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cccs1 ZINC000169692233 JI Annotated Clean O=C(O)CC[C@H](/N=N/c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cccs1 ZINC000169692234 JI Annotated Clean Cc1ccccc1COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccco2)cc1 ZINC000169693224 JI Annotated Anodyne Cc1ccccc1COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccco2)cc1 ZINC000169693225 JI Annotated Anodyne Cc1ccccc1COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccco2)cc1 ZINC000169693226 JI Annotated Anodyne Cc1ccccc1COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccco2)cc1 ZINC000169693227 JI Annotated Anodyne COC(=O)Cn1c(CC(=O)Nc2ccc(Cl)cc2)c(O)n(-c2ccc(Cl)cc2)c1=S ZINC000169693924 JI Annotated Anodyne Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1c(Br)cc(Br)cc1Br ZINC000169693981 JI Annotated Clean CCOC[C@@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C1CCCCC1 ZINC000169694167 JI Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000169694277 JI Annotated Anodyne CCCNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694672 JI Annotated Anodyne Cc1cc(NS(C)(=O)=O)c(Cl)c(-c2[nH]c(C3(C)CC3)nc2-c2ccnc(NCCC#N)n2)c1 ZINC000169694676 JI Annotated Mild CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(N)n2)c1F ZINC000169694679 JI Annotated Anodyne COc1cc(F)ccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694832 JI Annotated Anodyne COc1cc(F)ccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694833 JI Annotated Anodyne COc1cc(F)ccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694834 JI Annotated Anodyne COc1cc(F)ccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694836 JI Annotated Anodyne COc1ccc(F)cc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694862 JI Annotated Anodyne COc1ccc(F)cc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694863 JI Annotated Anodyne COc1ccc(F)cc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694864 JI Annotated Anodyne COc1ccc(F)cc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694865 JI Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694882 JI Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694883 JI Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694884 JI Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694885 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C2(CO)CCCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694886 JI Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C2(CO)CCCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694887 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C2(CO)CCCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694888 JI Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C2(CO)CCCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694889 JI Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4nc(C)no4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694890 JI Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4nc(C)no4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694891 JI Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4nc(C)no4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694892 JI Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4nc(C)no4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694893 JI Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4nnc(C)o4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694894 JI Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4nnc(C)o4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694895 JI Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4nnc(C)o4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694896 JI Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4nnc(C)o4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694897 JI Annotated Anodyne COc1ccc2sc(N3C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@@H]3c3ccccc3OC)nc2c1 ZINC000169694906 JI Annotated Anodyne COc1ccc2sc(N3C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@@H]3c3ccccc3OC)nc2c1 ZINC000169694907 JI Annotated Anodyne COc1ccc2sc(N3C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@H]3c3ccccc3OC)nc2c1 ZINC000169694908 JI Annotated Anodyne COc1ccc2sc(N3C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@H]3c3ccccc3OC)nc2c1 ZINC000169694909 JI Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169694934 JI Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169694935 JI Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169694936 JI Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169694937 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3nccs3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695002 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3nccs3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695003 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3nccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695005 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3nccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695006 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695007 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695008 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695009 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695010 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695038 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695039 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695040 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695041 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC#N ZINC000169695042 JI Annotated Mild CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC#N ZINC000169695043 JI Annotated Mild CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC#N ZINC000169695044 JI Annotated Mild CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC#N ZINC000169695045 JI Annotated Mild COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169695129 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169695130 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169695131 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169695132 JI Annotated Anodyne CN(C)CCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695155 JI Annotated Anodyne CN(C)CCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695156 JI Annotated Anodyne CN(C)CCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695157 JI Annotated Anodyne CN(C)CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695158 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(N)=O ZINC000169695210 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(N)=O ZINC000169695211 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(N)=O ZINC000169695212 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(N)=O ZINC000169695213 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695226 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695227 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695228 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695229 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695243 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695244 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695245 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695246 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695255 JI Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695256 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695257 JI Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695258 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695263 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695264 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695265 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695266 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695275 JI Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695276 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695277 JI Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695278 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695283 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695284 JI Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695285 JI Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695286 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000169695323 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000169695324 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000169695325 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000169695326 JI Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695335 JI Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695336 JI Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695337 JI Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695338 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695383 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695384 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695385 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695386 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(=N)NO ZINC000169695431 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(=N)NO ZINC000169695432 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695437 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695438 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695439 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695440 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695463 JI Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695464 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695465 JI Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695466 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695475 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695476 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695477 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695478 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(CO)c1 ZINC000169695511 JI Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(CO)c1 ZINC000169695512 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(CO)c1 ZINC000169695513 JI Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(CO)c1 ZINC000169695514 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695688 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695689 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695690 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695691 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695741 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695742 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695743 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695744 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169695753 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169695754 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169695755 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169695756 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000169695757 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000169695758 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000169695759 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000169695760 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695761 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695762 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695763 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695764 JI Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695765 JI Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695766 JI Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695767 JI Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695768 JI Annotated Anodyne COc1ccc(CC(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@@H]2C2CCCCC2)cc1 ZINC000169695826 JI Annotated Anodyne COc1ccc(CC(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@@H]2C2CCCCC2)cc1 ZINC000169695827 JI Annotated Anodyne COc1ccc(CC(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000169695828 JI Annotated Anodyne COc1ccc(CC(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000169695829 JI Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695898 JI Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695899 JI Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695900 JI Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695901 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169695918 JI Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169695919 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169695920 JI Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169695921 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000169696046 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000169696047 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000169696048 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000169696049 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696090 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696091 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696092 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696093 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696094 JI Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696095 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696096 JI Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696097 JI Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696102 JI Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696103 JI Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696104 JI Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696105 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696110 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696111 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696112 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696113 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696164 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696165 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696166 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696167 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696286 JI Annotated Anodyne COc1ccccc1[C@H]1[C@@H](S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696287 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@H](S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696288 JI Annotated Anodyne COc1ccccc1[C@H]1[C@H](S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696289 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696337 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696338 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696339 JI Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696340 JI Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H](C2CCCCC2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000169696341 JI Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@H](C2CCCCC2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000169696342 JI Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H](C2CCCCC2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000169696343 JI Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@H](C2CCCCC2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000169696344 JI Annotated Anodyne COCCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696349 JI Annotated Anodyne COCCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696350 JI Annotated Anodyne COCCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696351 JI Annotated Anodyne COCCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696352 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3CC(=O)N(C)C)cc2)o1 ZINC000169696385 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3CC(=O)N(C)C)cc2)o1 ZINC000169696386 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3CC(=O)N(C)C)cc2)o1 ZINC000169696387 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3CC(=O)N(C)C)cc2)o1 ZINC000169696388 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1N1CCOCC1 ZINC000169696505 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1N1CCOCC1 ZINC000169696506 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1N1CCOCC1 ZINC000169696507 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1N1CCOCC1 ZINC000169696508 JI Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696535 JI Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696536 JI Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696537 JI Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696538 JI Annotated Anodyne CNC(=O)CCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696539 JI Annotated Anodyne CNC(=O)CCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696540 JI Annotated Anodyne CNC(=O)CCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696541 JI Annotated Anodyne CNC(=O)CCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696542 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3CCC(N)=O)cc2)o1 ZINC000169696543 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3CCC(N)=O)cc2)o1 ZINC000169696544 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3CCC(N)=O)cc2)o1 ZINC000169696545 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3CCC(N)=O)cc2)o1 ZINC000169696546 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3COC(C)C)cc2)no1 ZINC000169696555 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3COC(C)C)cc2)no1 ZINC000169696556 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3COC(C)C)cc2)no1 ZINC000169696557 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3COC(C)C)cc2)no1 ZINC000169696558 JI Annotated Anodyne CCOCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696571 JI Annotated Anodyne CCOCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696572 JI Annotated Anodyne CCOCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696573 JI Annotated Anodyne CCOCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696574 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3S(C)(=O)=O)cc2)o1 ZINC000169696591 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3S(C)(=O)=O)cc2)o1 ZINC000169696592 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3S(C)(=O)=O)cc2)o1 ZINC000169696593 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3S(C)(=O)=O)cc2)o1 ZINC000169696594 JI Annotated Anodyne Cc1noc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3COC(C)C)cc2)n1 ZINC000169696607 JI Annotated Anodyne Cc1noc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3COC(C)C)cc2)n1 ZINC000169696608 JI Annotated Anodyne Cc1noc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3COC(C)C)cc2)n1 ZINC000169696609 JI Annotated Anodyne Cc1noc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3COC(C)C)cc2)n1 ZINC000169696610 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696639 JI Annotated Anodyne COc1ccccc1[C@H]1[C@@H](S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696640 JI Annotated Anodyne COc1ccccc1[C@@H]1[C@H](S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696641 JI Annotated Anodyne COc1ccccc1[C@H]1[C@H](S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696642 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCCCO ZINC000169696647 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCCCO ZINC000169696648 JI Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCCCO ZINC000169696649 JI Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCCCO ZINC000169696650 JI Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169696659 JI Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169696660 JI Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169696661 JI Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169696662 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3cccnc3OCCCO)cc2)s1 ZINC000169696663 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3cccnc3OCCCO)cc2)s1 ZINC000169696664 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3cccnc3OCCCO)cc2)s1 ZINC000169696665 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3cccnc3OCCCO)cc2)s1 ZINC000169696666 JI Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3cccnc3OCCCO)cc2)cs1 ZINC000169696671 JI Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3cccnc3OCCCO)cc2)cs1 ZINC000169696672 JI Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3cccnc3OCCCO)cc2)cs1 ZINC000169696673 JI Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3cccnc3OCCCO)cc2)cs1 ZINC000169696674 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(N)=O)cc2)s1 ZINC000169696679 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(N)=O)cc2)s1 ZINC000169696680 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(N)=O)cc2)s1 ZINC000169696681 JI Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(N)=O)cc2)s1 ZINC000169696682 JI Annotated Anodyne CNC(=O)c1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696683 JI Annotated Anodyne CNC(=O)c1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696684 JI Annotated Anodyne CNC(=O)c1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696685 JI Annotated Anodyne CNC(=O)c1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696686 JI Annotated Anodyne Cc1noc(-c2ccc(N3C(=O)c4n[nH]c(C(C)(C)C)c4[C@H]3c3ccccc3OCCO)cc2)n1 ZINC000169696781 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)c4n[nH]c(C(C)(C)C)c4[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000169696782 JI Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1cccnc1OCCO)N(c1ccc(-c3ccoc3)cc1)C2=O ZINC000169696804 JI Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1cccnc1OCCO)N(c1ccc(-c3ccco3)cc1)C2=O ZINC000169696806 JI Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1cccnc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696815 JI Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696832 JI Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696853 JI Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696879 JI Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169696881 JI Annotated Anodyne COc1ccc2nc(N3C(=O)c4n[nH]c(C(C)(C)CO)c4[C@H]3c3ccccc3OC)sc2c1 ZINC000169696886 JI Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C(=O)O)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696895 JI Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C(=O)N(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696897 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696990 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696991 JI Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169696992 JI Annotated Anodyne Cc1cc(CC(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)on1 ZINC000169697193 JI Annotated Anodyne O=C(C[C@@H]1CCCOC1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697215 JI Annotated Anodyne O=C(C[C@H]1CCCOC1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697216 JI Annotated Anodyne O=C(CC1CCOCC1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697233 JI Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1(O)CCCCC1 ZINC000169697247 JI Annotated Anodyne C=[S@@](C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1 ZINC000169699240 JI Annotated Anodyne C=[S@](C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1 ZINC000169699241 JI Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CCC(n3cc(CC(=O)O)c4ccc(F)cc43)CC2)cc1 ZINC000169699813 JI Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3ncc(C)s3)cc1[C@@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000169700435 JI Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3ncc(C)s3)cc1[C@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000169700436 JI Annotated Anodyne CCCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c(C)c1 ZINC000169700582 JI Annotated Anodyne CCCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c(C)c1 ZINC000169700583 JI Annotated Anodyne COc1ccc(Cc2nc(Nc3ccc(OC)c(OC)c3)nc(SC3=NCCS3)n2)cc1OC ZINC000169700660 JI Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(C[C@@H]3SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1 ZINC000169701114 JI Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(C[C@H]3SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1 ZINC000169701115 JI Annotated Clean CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)N4CCc5c(C#N)cccc54)c3)cc2C1 ZINC000169701490 JI Annotated Mild CO[C@H](c1ccc(N2CC[C@@]3(CC[C@@H](O)[C@H](OCC(F)(F)F)C3)C2=O)cc1)C(F)(F)F ZINC000169702046 JI Annotated Anodyne CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc4ccccc24)CC3)n1 ZINC000169702277 JI Annotated Anodyne CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C(F)(F)F)c2)CC3)n1 ZINC000169702321 JI Annotated Anodyne CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccc4ccccc4c2)CC3)n1 ZINC000169702322 JI Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C(F)(F)F)c2)CC3)n1 ZINC000169702339 JI Annotated Anodyne CCc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 ZINC000169702550 JI Annotated Anodyne CC1(C)CCc2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)ccc2O1 ZINC000169702654 JI Annotated Anodyne COc1ccc2c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)nn(C(C)C)c2c1 ZINC000169702659 JI Annotated Anodyne CCCn1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(C#N)cc21 ZINC000169702660 JI Annotated Mild CC1(C)OCC(N)=N[C@](C)(c2cc(N[C@H]3CCc4cc(C#N)cnc43)c(F)cc2F)C1(F)F ZINC000169702899 JI Annotated Mild CCCc1[nH]c(=O)c(Cc2cc3cc4c(cc3nc2N(C)C)OCO4)c2cc(OC)c(OC)cc12 ZINC000169703375 JI Annotated Anodyne CC(C)c1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703511 JI Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)cc2C2CC2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703512 JI Annotated Anodyne CC(C)Nc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)ccc1C(N)=O ZINC000169703516 JI Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703517 JI Annotated Anodyne CC(C)Nc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703522 JI Annotated Anodyne CCNc1c(C(N)=O)ccc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)c1CC ZINC000169703535 JI Annotated Anodyne CCc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cccnc4)c3)ccnc21 ZINC000169703538 JI Annotated Anodyne CCNc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)ccc1C(N)=O ZINC000169703541 JI Annotated Anodyne CC(C)Nc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cn[nH]c5)c4)ccnc32)ccc1C(N)=O ZINC000169703545 JI Annotated Anodyne CCn1cc(-c2cn(-c3ccnc4c3c(C(C)C)nn4-c3ccc(C(N)=O)cc3Cl)cn2)cn1 ZINC000169703546 JI Annotated Anodyne CCNc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(CC)c5)c4)ccnc32)ccc1C(N)=O ZINC000169703548 JI Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)cc2Cl)c2nccc(-n3cnc(-c4ccc(C(N)=O)cc4)c3)c12 ZINC000169703557 JI Annotated Anodyne CCCc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703559 JI Annotated Anodyne Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3C3CC3)cn2)cn1 ZINC000169703576 JI Annotated Anodyne C=C(C)c1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703577 JI Annotated Mild CCNc1cc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)ccc1C(N)=O ZINC000169703581 JI Annotated Anodyne CCNc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cccnc4)c3)ccnc21 ZINC000169703583 JI Annotated Anodyne CC(=O)N1CCC[C@@H](CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)n2)C1 ZINC000169703797 JI Annotated Anodyne CC(=O)NC[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703814 JI Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3cncc(N(C)CC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703817 JI Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703892 JI Annotated Anodyne OCCOc1cc(CC2CCN(CCc3ccc4c(c3)[C@@H](O)CCO4)CC2)ccc1Br ZINC000169703920 JI Annotated Anodyne OCCOc1cc(CC2CCN(CCc3ccc4c(c3)[C@H](O)CCO4)CC2)ccc1Br ZINC000169703921 JI Annotated Anodyne O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(OCCO)c4)CC3)cc12 ZINC000169703925 JI Annotated Anodyne O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3cnn(CC(F)F)c3)nc2n1 ZINC000169704089 JI Annotated Anodyne O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(OP(=O)(O)O)cc3)nc2n1 ZINC000169704092 JI Annotated Anodyne CC(C)(CO)Nc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 ZINC000169704628 JI Annotated Anodyne CN(C)c1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704637 JI Annotated Anodyne Nc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1Cl ZINC000169704638 JI Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccc(N5CCC5)n4)ccn23)c1 ZINC000169704667 JI Annotated Anodyne CSc1nc(N)cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000169704671 JI Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccc(-n5ccnc5)n4)ccn23)c1 ZINC000169704678 JI Annotated Anodyne CNC(=O)c1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704687 JI Annotated Anodyne C[C@@H](O)c1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704719 JI Annotated Anodyne C[C@H](O)c1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704720 JI Annotated Anodyne Cc1ccc(NC(=O)NCC(F)(F)F)cc1-c1cnc2cc(-c3ncc(F)c(N)n3)ccn12 ZINC000169704725 JI Annotated Anodyne COCCNc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 ZINC000169704730 JI Annotated Anodyne Cc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn23)c1 ZINC000169704733 JI Annotated Anodyne CC(=O)c1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704735 JI Annotated Anodyne Nc1nc(-c2ccn3c(-c4cc(F)cc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704750 JI Annotated Anodyne Nc1nc(-c2ccn3c(-c4cc(NC(=O)NCC(F)(F)F)ccc4F)cnc3c2)ncc1F ZINC000169704755 JI Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@@H](C(=O)NO)c1ccc(F)cc1 ZINC000169704826 JI Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@H](C(=O)NO)c1ccc(F)cc1 ZINC000169704827 JI Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CC[C@@H](c4ccncc4)C3)c2)cc1 ZINC000169706293 JI Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CC[C@@H](c4ccncc4)C3)c2)cc1 ZINC000169706294 JI Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CC[C@H](c4ccncc4)C3)c2)cc1 ZINC000169706295 JI Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CC[C@H](c4ccncc4)C3)c2)cc1 ZINC000169706296 JI Annotated Mild CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCOCC5)ccn34)c12 ZINC000169706578 JI Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-n5cnc(C)n5)ccn34)c12 ZINC000169706580 JI Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-n5ncnc5C)ccn34)c12 ZINC000169706581 JI Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCN(C)C)ccn34)c12 ZINC000169706583 JI Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(C3CCCCCC3)n2)CN1 ZINC000169707027 JI Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccc(Cl)cc3)n2)CN1 ZINC000169707043 JI Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(Cl)c3)n2)CN1 ZINC000169707044 JI Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3Cl)n2)CN1 ZINC000169707069 JI Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(OC)c2)c1 ZINC000169707103 JI Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccc(F)cc3)n2)CN1 ZINC000169707104 JI Annotated Anodyne O=C1CC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccc(F)cc3)n2)CN1 ZINC000169707105 JI Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3F)n2)CN1 ZINC000169707107 JI Annotated Anodyne O=C1CC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3F)n2)CN1 ZINC000169707108 JI Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1 ZINC000169707109 JI Annotated Anodyne O=C1CC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1 ZINC000169707110 JI Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2Cl)n1 ZINC000169707133 JI Annotated Anodyne Cc1cc(F)ccc1-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cccc(OC(F)(F)F)c1 ZINC000169707136 JI Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(C3CCC(F)(F)CC3)n2)CN1 ZINC000169707137 JI Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OCC(F)(F)F)c2)n(-c2ccccc2Cl)n1 ZINC000169707154 JI Annotated Anodyne Cc1ccc(-n2nc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)cc2-c2cccc(OCC(F)(F)F)c2)cc1 ZINC000169707156 JI Annotated Anodyne Cc1ccccc1-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cccc(OC(F)(F)F)c1 ZINC000169707158 JI Annotated Anodyne Cc1ccccc1-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cccc(OCC(F)(F)F)c1 ZINC000169707162 JI Annotated Anodyne Cc1ccc(-n2nc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)cc2-c2cccc(OC(F)(F)F)c2)cc1 ZINC000169707169 JI Annotated Anodyne O=C(Nc1cc(-c2cccc(COCC(F)(F)F)c2)n(-c2ccccc2)n1)[C@@H]1CNC(=O)C12CC2 ZINC000169707173 JI Annotated Anodyne O=C(Nc1cc(-c2cccc(COCC(F)(F)F)c2)n(-c2ccccc2)n1)[C@H]1CNC(=O)C12CC2 ZINC000169707174 JI Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OCCCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707193 JI Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707198 JI Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707199 JI Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707254 JI Annotated Anodyne C[C@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707255 JI Annotated Anodyne O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)O1 ZINC000169707258 JI Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707259 JI Annotated Anodyne O=C1CC[C@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707260 JI Annotated Anodyne CC(C)(OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707274 JI Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)O3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707289 JI Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3CC(F)(F)F)nn2-c2ccccc2)c1 ZINC000169707306 JI Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3CC(F)(F)F)nn2-c2ccccc2)c1 ZINC000169707307 JI Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OC(F)(F)F)cc2)c1 ZINC000169707308 JI Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OCC)c2)c1 ZINC000169707312 JI Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OC(C)C)c2)c1 ZINC000169707313 JI Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707320 JI Annotated Anodyne Cc1cc(CO[C@H](C)C(F)(F)F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707328 JI Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC3CCC3)c2)c1 ZINC000169707330 JI Annotated Anodyne CCOc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)ccc1F ZINC000169707338 JI Annotated Anodyne CC(C)Oc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707353 JI Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(COC(C)C)c2)c1 ZINC000169707367 JI Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1)C(F)(F)F ZINC000169707377 JI Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2F)c1)C(F)(F)F ZINC000169707380 JI Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3Cl)n2)CN1 ZINC000169707381 JI Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3Cl)n2)CN1 ZINC000169707382 JI Annotated Anodyne CCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1F ZINC000169707385 JI Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(Cl)c3)n2)CN1 ZINC000169707408 JI Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3cccc(Cl)c3)n2)CN1 ZINC000169707409 JI Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccc(Cl)cc3)n2)CN1 ZINC000169707411 JI Annotated Anodyne CCOc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707419 JI Annotated Anodyne CCOc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707428 JI Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707439 JI Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CCC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707440 JI Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707443 JI Annotated Anodyne O=C1CC[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707444 JI Annotated Anodyne C[C@@H]1C(=O)NC[C@H]1C(=O)Nc1cc(-c2cccc(CO[C@H](C)C(F)(F)F)c2)n(-c2ccccc2)n1 ZINC000169707446 JI Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707447 JI Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707448 JI Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cc(Cl)cc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707465 JI Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707470 JI Annotated Anodyne Cc1cccc(C)c1-c1nc2c(c(N3CCC[C@H](O)C3)n1)CN(c1cc(C(C)C)nn1C)CC2 ZINC000169707632 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccccc3OC3CC3)c2)c2cncnc21 ZINC000169707641 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(OC4CC4)cc3)c2)c2cncnc21 ZINC000169707644 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(OC4CC4)c3)c2)c2cncnc21 ZINC000169707645 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4cccnc4c3)c2)c2cncnc21 ZINC000169707668 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(-c4cccs4)n3)c2)c2cncnc21 ZINC000169707684 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3nn(C)c4ccc(Cl)cc34)c2)c2cncnc21 ZINC000169707688 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4cc(Cl)ccc4n3)c2)c2cncnc21 ZINC000169707689 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn(C)c4ccccc34)c2)c2cncnc21 ZINC000169707697 JI Annotated Anodyne COc1cc(F)cc2ccn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c12 ZINC000169707702 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3nn(C)c4cc(Cl)ccc34)c2)c2cncnc21 ZINC000169707704 JI Annotated Anodyne Cc1c(-c2ccccc2)cnn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707705 JI Annotated Anodyne Cc1cc2ncn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2cc1C ZINC000169707712 JI Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(SC(F)(F)F)cc3)c2)c2cncnc21 ZINC000169707733 JI Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cccc(SC(F)(F)F)c3)c2)c2cncnc21 ZINC000169707736 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cnc(N)nc21 ZINC000169707804 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cnc(N)nc21 ZINC000169707805 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CN4CCC4)c3)c2)c2cncnc21 ZINC000169707823 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnn(C4CC4)c3C(F)(F)F)c2)c2cncnc21 ZINC000169707865 JI Annotated Anodyne COc1ccc2c(ccn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1 ZINC000169707886 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)c2)c2cncnc21 ZINC000169707896 JI Annotated Anodyne Cc1sc2nc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cn2c1C ZINC000169707903 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cnc(-c4ccc(F)cc4)c3)c2)c2cncnc21 ZINC000169707906 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccnc3-c3ccccc3)c2)c2cncnc21 ZINC000169707911 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4cc(Cl)sc4n3)c2)c2cncnc21 ZINC000169707912 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccn(-c4ccc(O)cc4)c3)c2)c2cncnc21 ZINC000169707915 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3scnc3C(F)(F)F)c2)c2cncnc21 ZINC000169707935 JI Annotated Anodyne COc1ccc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc2c1 ZINC000169707970 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnccc3C(F)(F)F)c2)c2cncnc21 ZINC000169707972 JI Annotated Anodyne COc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nc2c(C)nccc12 ZINC000169708002 JI Annotated Anodyne CC(C)c1nnc2ccc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cn12 ZINC000169708009 JI Annotated Anodyne Cc1nc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c(C(F)(F)F)o1 ZINC000169708020 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@@H](CO)c3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169708032 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@H](CO)c3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169708033 JI Annotated Anodyne CN(C(=O)Cc1ccc(Cl)cn1)c1cncc(C(=O)c2cn(C(C)(C)C)c3ncncc23)c1 ZINC000169708049 JI Annotated Anodyne CC1(n2cc(C(=O)c3cncc(NC(=O)Cc4ccc(C(F)(F)F)cc4)c3)c3cncnc32)COC1 ZINC000169708073 JI Annotated Anodyne Cc1nn(-c2cccc(Nc3ccc4c(c3)c(C(=O)C(F)(F)F)cn4C)n2)cc1CN1CC[C@@H](O)C1 ZINC000169709022 JI Annotated Anodyne Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)cc1CN1C[C@H](O)C[C@H]1C ZINC000169709027 JI Annotated Anodyne CCCn1c(C)c(Cl)c2cc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C)n4)n3)ccc21 ZINC000169709029 JI Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccc(OCCCF)cn3)C2)cc1 ZINC000169709306 JI Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC(C)C)c3)C2)cc1 ZINC000169709395 JI Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OC(C)C)c3)C2)cc1 ZINC000169709396 JI Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4ccns4)cc3)C2)ccn1 ZINC000169709397 JI Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4ccns4)cc3)C2)ccn1 ZINC000169709398 JI Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)ccn1 ZINC000169709438 JI Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)ccn1 ZINC000169709439 JI Annotated Anodyne Cc1cc(CC(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(OC(C)C)c4)C3)cc2)on1 ZINC000169709453 JI Annotated Anodyne Cc1cc(CC(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccnc(OC(C)C)c4)C3)cc2)on1 ZINC000169709455 JI Annotated Anodyne Cc1nnsc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709498 JI Annotated Anodyne Cc1nnsc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709499 JI Annotated Anodyne Cc1oncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC(C)C)c3)C2)cc1 ZINC000169709506 JI Annotated Anodyne Cc1oncc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OC(C)C)c3)C2)cc1 ZINC000169709507 JI Annotated Anodyne C[C@H](NC(=O)C(F)F)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709510 JI Annotated Anodyne C[C@H](NC(=O)C(F)F)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709511 JI Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1Cl)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709529 JI Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1Cl)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709530 JI Annotated Anodyne Cc1cc(CC(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(OCC5CC5)c4)C3)cc2)on1 ZINC000169709568 JI Annotated Anodyne Cc1cc(CC(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccnc(OCC5CC5)c4)C3)cc2)on1 ZINC000169709569 JI Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709579 JI Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709581 JI Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709585 JI Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709587 JI Annotated Anodyne Cc1cc(CC(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(OCC(F)F)c4)C3)cc2)on1 ZINC000169709593 JI Annotated Anodyne Cc1cc(CC(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccnc(OCC(F)F)c4)C3)cc2)on1 ZINC000169709594 JI Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709595 JI Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709596 JI Annotated Anodyne C[C@H](NC(=O)C(C)(C)F)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709614 JI Annotated Anodyne C[C@H](NC(=O)C(C)(C)F)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709615 JI Annotated Anodyne C[C@H](NC(=O)C(F)(F)F)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709622 JI Annotated Anodyne C[C@H](NC(=O)C(F)(F)F)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709623 JI Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709637 JI Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709638 JI Annotated Anodyne CCNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709653 JI Annotated Anodyne CCNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709654 JI Annotated Anodyne C[C@H](NC(=O)N1CCC1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709666 JI Annotated Anodyne C[C@H](NC(=O)N1CCC1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709667 JI Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709698 JI Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709699 JI Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@@H]4CC4(F)F)c3F)C2)cc1 ZINC000169709712 JI Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OC[C@@H]4CC4(F)F)c3F)C2)cc1 ZINC000169709713 JI Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709714 JI Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709715 JI Annotated Anodyne CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709724 JI Annotated Anodyne CCC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709725 JI Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@@H]4CC4(F)F)c3F)C2)cc1 ZINC000169709726 JI Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccnc(OC[C@@H]4CC4(F)F)c3F)C2)cc1 ZINC000169709727 JI Annotated Anodyne C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@@H]4CC4(F)F)c3)C2)cc1 ZINC000169709808 JI Annotated Anodyne C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@H]4CC4(F)F)c3)C2)cc1 ZINC000169709809 JI Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709838 JI Annotated Anodyne CCCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)ccn1 ZINC000169709840 JI Annotated Anodyne CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)NCCCO)C3)c2)c1 ZINC000169710127 JI Annotated Anodyne O=C1N=Nc2nc(CN3CCCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc3cccc1c23 ZINC000169710153 JI Annotated Anodyne CC(C)c1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(-c4ccc[n+]([O-])c4)c3)c2n1 ZINC000169710347 JI Annotated Anodyne O=C(NCc1nnc2n1CCC2)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710408 JI Annotated Anodyne O=C(NCc1nnc2n1CCC2)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710409 JI Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)c1 ZINC000169710494 JI Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)c1 ZINC000169710495 JI Annotated Anodyne Cn1nccc1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710589 JI Annotated Anodyne Cn1nccc1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710590 JI Annotated Anodyne Cn1cc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cn1 ZINC000169710591 JI Annotated Anodyne Cn1cc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cn1 ZINC000169710592 JI Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cncc(F)c2)O3)s1 ZINC000169710650 JI Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cncc(F)c2)O3)s1 ZINC000169710651 JI Annotated Anodyne O=C(N[C@@H](CCO)C1CC1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710656 JI Annotated Anodyne O=C(N[C@H](CCO)C1CC1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710657 JI Annotated Anodyne O=C(N[C@@H](CCO)C1CC1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000169710658 JI Annotated Anodyne O=C(N[C@H](CCO)C1CC1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000169710659 JI Annotated Anodyne CCc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCN4CCNC4=O)s3)ccc2O1 ZINC000169710703 JI Annotated Anodyne CCc1ccccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCN4CCNC4=O)s3)ccc2O1 ZINC000169710704 JI Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3nc(C)c(C(=O)NCCN4CCNC4=O)s3)ccc2O1 ZINC000169710713 JI Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3nc(C)c(C(=O)NCCN4CCNC4=O)s3)ccc2O1 ZINC000169710715 JI Annotated Anodyne Cc1cccc(C)c1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCN4CCNC4=O)s3)ccc2O1 ZINC000169710731 JI Annotated Anodyne Cc1cccc(C)c1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCN4CCNC4=O)s3)ccc2O1 ZINC000169710732 JI Annotated Anodyne Cc1ccc(F)cc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCN4CCNC4=O)s3)ccc2O1 ZINC000169710733 JI Annotated Anodyne Cc1ccc(F)cc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCN4CCNC4=O)s3)ccc2O1 ZINC000169710734 JI Annotated Anodyne C[C@@H]1C[C@@](F)(c2ncc(C[C@H](O)CO)cc2F)CCN1C(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000169710886 JI Annotated Anodyne C[C@@H]1C[C@](F)(c2ncc(C[C@H](O)CO)cc2F)CCN1C(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000169710887 JI Annotated Anodyne Cc1cc(NC(=O)N2CC=C(c3ncc(C[C@H](O)CO)cc3Cl)CC2)ccc1C(F)(F)F ZINC000169710888 JI Annotated Anodyne O=C(C[C@@H]1COCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 ZINC000169711109 JI Annotated Anodyne O=C(C[C@H]1COCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 ZINC000169711110 JI Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711407 JI Annotated Anodyne Cc1cc(CN2CCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711416 JI Annotated Anodyne Cc1cc(CNC(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711423 JI Annotated Anodyne CCN(CC)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)nc2=O)c(C)c1 ZINC000169711429 JI Annotated Anodyne Cc1nc(-c2ccccc2F)c2c(N3CCc4nc(C5CC5)nc(OC(F)F)c4C3)ncnn12 ZINC000169711771 JI Annotated Anodyne CC1(C)CC(Oc2cc(F)c(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)cc2C#N)CC(C)(C)N1 ZINC000169711966 JI Annotated Mild O=C1C(=O)c2ccccc2C(=O)/C1=C(\C#Cc1ccccc1)c1c(O)c(O)c2ccccc2c1O ZINC000169714710 JI Annotated Mild CC(=O)Nc1ccc(/C(=C2/C(=O)C(=O)c3ccccc3C2=O)c2c(O)c(O)c3ccccc3c2O)cc1 ZINC000169714729 JI Annotated Mild CN(C)c1ccc(/C(=C2/C(=O)C(=O)c3ccccc3C2=O)c2c(O)c(O)c3ccccc3c2O)cc1 ZINC000169714730 JI Annotated Mild Cc1cc(NS(=O)(=O)c2ccc(/N=N/c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)nc(C)n1 ZINC000169715203 JI Annotated Clean COc1ccccc1-n1c(O)c2c(c1O)C1(O[C@@H]2c2ccccc2)C(=O)c2ccccc2C1=O ZINC000169717937 JI Annotated Clean COc1ccccc1-n1c(O)c2c(c1O)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O ZINC000169717938 JI Annotated Clean O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)c1c2c(O)n(-c2ccc3c(c2)OCO3)c1O ZINC000169717961 JI Annotated Clean O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)c1c2c(O)n(-c2ccc3c(c2)OCO3)c1O ZINC000169717962 JI Annotated Clean O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)c1c2c(O)n(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000169717963 JI Annotated Clean O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)c1c2c(O)n(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000169717964 JI Annotated Clean Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)c3c2c(O)n(-c2ccc4c(c2)OCO4)c3O)cc1 ZINC000169717965 JI Annotated Clean Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)c3c2c(O)n(-c2ccc4c(c2)OCO4)c3O)cc1 ZINC000169717966 JI Annotated Clean COc1ccc(-n2c(O)c3c(c2O)C2(O[C@@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000169717967 JI Annotated Clean COc1ccc(-n2c(O)c3c(c2O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000169717968 JI Annotated Clean N#Cc1ccc(-n2c(O)c3n(c2=O)[C@H]2C[C@@H]3N(C(=O)Oc3ccc(F)cc3)C2)c2ccccc12 ZINC000169718524 JI Annotated Mild O=C(Oc1ccc(F)cc1)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+](=O)[O-])c4ccccc34)c(=O)n12 ZINC000169718529 JI Annotated Bother CC(=O)OCC/C=C(\c1ccc(Br)cc1)c1sc(=S)n(CC(=O)O)c1O ZINC000169718681 JI Annotated Anodyne O=C(COC(=O)c1ccc(-n2c(O)c3c(c2O)CC=CC3)cc1)c1ccc(N2CCCC2)cc1 ZINC000169718860 JI Annotated Anodyne CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCC[C@@H]1CCSS1 ZINC000169719612 JI Annotated Reactive CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCC[C@H]1CCSS1 ZINC000169719613 JI Annotated Reactive CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721696 JI Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721697 JI Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721698 JI Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721699 JI Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000169721700 JI Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000169721701 JI Annotated Anodyne O=c1c(/N=N/c2ccc(S(=O)(=O)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1 ZINC000169724786 JI Annotated Clean O=C(Nc1ccccc1-c1ccccc1)N1CCn2c(c(O)n(C3Cc4ccccc4C3)c2=O)C1 ZINC000169724957 JI Annotated Anodyne O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)O3)cc1 ZINC000169728041 JI Annotated Bother O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)O3)cc1 ZINC000169728042 JI Annotated Bother CC(C)Cn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCC(F)(F)C4)n3)cc2)c1=O ZINC000169729157 JI Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCC[C@@H](F)C4)n3)cc2)c1=O ZINC000169729159 JI Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCC[C@H](F)C4)n3)cc2)c1=O ZINC000169729160 JI Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCC[C@@H](C)C4)n3)cc2)c1=O ZINC000169729163 JI Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCC[C@H](C)C4)n3)cc2)c1=O ZINC000169729164 JI Annotated Anodyne O=c1n(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)cc(O)n1CC1CCC1 ZINC000169729166 JI Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCC(F)(F)C4)n3)cc2)c1=O ZINC000169729179 JI Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)OCC(F)(F)F)ccc1OCc1ccccc1 ZINC000169729894 JI Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)OCC(F)(F)F)ccc1OCc1ccccc1 ZINC000169729895 JI Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)OCC(F)(F)F)ccc1OCc1ccccc1 ZINC000169729896 JI Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)OCC(F)(F)F)ccc1OCc1ccccc1 ZINC000169729897 JI Annotated Anodyne Cc1ccc(/C=C2\CN(CCN3CCOCC3)C[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000169730296 JI Annotated Anodyne Cc1ccc(/C=C2\CN(CCN3CCOCC3)C[C@H]3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000169730297 JI Annotated Anodyne Cc1ccccc1/C=C1\CN(CCN2CCOCC2)C[C@@H]2C1=NC(=S)N[C@@H]2c1ccccc1C ZINC000169730306 JI Annotated Anodyne Cc1ccccc1/C=C1\CN(CCN2CCOCC2)C[C@H]2C1=NC(=S)N[C@@H]2c1ccccc1C ZINC000169730307 JI Annotated Anodyne C=CCN(C)[C@H]1CCN(CC)c2c(C[S@@](=O)c3nc4cc(F)c(OC)cc4[nH]3)cccc21 ZINC000169731579 JI Annotated Mild investigational CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C(C)(C)C)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)cc1 ZINC000169768376 JI Annotated Anodyne CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@@H]12)c1ccc(Cl)cc1 ZINC000017176065 JI Annotated Bother CC[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@@H]12)c1ccc(Cl)cc1 ZINC000017176066 JI Annotated Bother Cc1ccc([C@]2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccccc2Cl)cc1 ZINC000017198260 JI Annotated Bother Cc1ccc([C@]2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000017198264 JI Annotated Bother CC(=O)O[C@H]1O[C@H]2[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC2(OCc1ccccc1)OCc1ccccc1 ZINC000017210221 JI Annotated Anodyne CC(C)(C)C(=O)ON1N=N[C@@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000017210245 JI Annotated Mild CC(C)(C)C(=O)ON1N=N[C@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000017210248 JI Annotated Mild CCOC(=O)/C(=C\c1ccc(N(CCC#N)CCC#N)cc1C)NC(=O)/C=C/c1ccccc1 ZINC000017213871 JI Annotated Mild O=[N+]([O-])c1cccc([C@H](O)/C(=N/Nc2ccccc2)[C@@H]2Nc3ccc([N+](=O)[O-])cc3N=C2O)c1 ZINC000017215334 JI Annotated Mild Cc1[nH]c(=O)nc(N(CCO)/N=C/c2ccccc2Cl)c1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017215763 JI Annotated Mild COC(=O)[C@@H](C(=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O ZINC000017216087 JI Annotated Anodyne COC(=O)[C@H](C(=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O ZINC000017216089 JI Annotated Anodyne CN(C)C(=O)O[C@H]1C(=O)N(C)c2ccc(Cl)cc2[C@@]2(c3ccccc3)N1C2(Cl)Cl ZINC000017218136 JI Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2c3ccccc3C=CN2C(C(=O)OCC)=C(SC)S1 ZINC000017219322 JI Annotated Anodyne Nc1nc2c3nc(Nc4ccccc4)sc3nc(=O)n2c2sc(Nc3ccccc3)nc12 ZINC000017220637 JI Annotated Bother COc1cc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000017222139 JI Annotated Anodyne COCOc1c([C@H](OCOC)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC ZINC000017258689 JI Annotated Anodyne O=C(OC[C@H](O)[C@@H](O)[C@@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1 ZINC000017355054 JI Annotated Anodyne O=C(OC[C@H](O)[C@H](O)[C@@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1 ZINC000017355055 JI Annotated Anodyne CC(=O)Nc1ccc(C=NNc2nnc(NN=Cc3ccc(NC(C)=O)cc3)c3ccccc23)cc1 ZINC000017418344 JI Annotated Anodyne CN1C(=O)[C@]23C[C@H]4c5ccccc5N[C@H]4N2C(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)SS3 ZINC000170182243 JI Annotated Reactive CN1C(=O)[C@@]23C[C@@H]4c5ccccc5N[C@@H]4N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3 ZINC000170182246 JI Annotated Reactive CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C\C(=O)NCCC[C@@H]5NC(=O)C(=C5O)C(=O)CC[C@@H]4C[C@@H]3[C@H]2C[C@H]1C ZINC000017654567 JI Annotated Mild C[C@@H](C(=O)/N=N\c1c(O)n(C)c2ccc(Br)cc12)n1cnc2ccccc2c1=O ZINC000017724597 JI Annotated Clean C[C@H](C(=O)/N=N\c1c(O)n(C)c2ccc(Br)cc12)n1cnc2ccccc2c1=O ZINC000017724599 JI Annotated Clean Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000017835434 JI Annotated Clean COC1=CC([N+](=O)[O-])=C/C(=C2/SC(Nc3cc(C)ccc3OC)=NN2c2ccccc2)C1=O ZINC000017887608 JI Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000017889308 JI Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)nnc1-c1ccncc1 ZINC000017920116 JI Annotated Mild Cc1ccccc1-n1c(SCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)nnc1-c1ccncc1 ZINC000017920120 JI Annotated Mild COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3cccs3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018020786 JI Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000018021584 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc(O)c1 ZINC000018043930 JI Annotated Mild O=S(=O)(c1ccc(F)cc1F)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000018059036 JI Annotated Anodyne O=S(=O)(c1cc(F)ccc1F)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000018059635 JI Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018060079 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CCc3ccccn3)C2=O)c1 ZINC000018097469 JI Annotated Mild COc1ccc([C@H]2C=CCN(S(=O)(=O)c3cccs3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018100580 JI Annotated Anodyne C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000018101970 JI Annotated Mild C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000018101972 JI Annotated Mild COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CCc3ccccn3)C2=O)c1 ZINC000018180411 JI Annotated Mild COc1ccc([C@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018207948 JI Annotated Anodyne COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1 ZINC000018246010 JI Annotated Mild COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1 ZINC000018246011 JI Annotated Mild COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1 ZINC000018246023 JI Annotated Mild COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1 ZINC000018246026 JI Annotated Mild Cc1nn(CN2CCN(C)CC2)c(=S)n1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000019365757 JI Annotated Mild COC(=O)C[C@@H](O)[C@H]1OCC/C(=C\COCc2ccccc2)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000194832287 JI Annotated Reactive COC(=O)C[C@H](O)[C@H]1OCC/C(=C\COCc2ccccc2)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000194832301 JI Annotated Reactive COC(=O)C[C@@H](O)[C@H]1OCC/C(=C\COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000194832314 JI Annotated Reactive COC(=O)C[C@H](O)[C@H]1OCC/C(=C\COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000194832327 JI Annotated Reactive CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000019723413 JI Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000019723415 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000019723436 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000019723438 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000019723440 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000019727375 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000019727377 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000019727379 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000019727381 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000019727433 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000019727435 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000019727437 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000019727439 JI Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000019727480 JI Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000019727482 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000019727517 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000019727519 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000019727521 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000019727523 JI Annotated Mild O=C1C=C(/C=C/c2ccc(O)cc2)[C@@H]2C(=O)[C@H]1[C@H](c1ccc(O)cc1)[C@H]2c1cc(O)cc(O)c1 ZINC000019825318 JI Annotated Mild in-vitro O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000019871556 JI Annotated Reactive COc1cc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)cc1OC ZINC000019901226 JI Annotated Anodyne COc1cc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)cc1OC ZINC000019901228 JI Annotated Anodyne C=C1[C@H]2C[C@H]3OC(=O)/C=C\C=C/[C@H]([C@@H](C)O)OCC/C(C)=C\C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C ZINC000195083934 JI Annotated Mild C=C1[C@H]2C[C@H]3OC(=O)/C=C/C=C\[C@H]([C@@H](C)O)OCC/C(C)=C\C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C ZINC000195083953 JI Annotated Mild CCN(CC)CC(=O)Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000195093799 JI Annotated Anodyne CCN(CC)CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000195093828 JI Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(CC4CC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000195164652 JI Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)cc1 ZINC000195166869 JI Annotated Reactive COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)cc1 ZINC000195166879 JI Annotated Reactive C=C(C#N)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000195175822 JI Annotated Reactive CC(C)CN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 ZINC000195188679 JI Annotated Anodyne CC(C)CN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 ZINC000195188690 JI Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](O[SiH2]C(C)(C)C)C2)cc1 ZINC000195223718 JI Annotated Reactive COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](O[SiH2]C(C)(C)C)C2)cc1 ZINC000195223732 JI Annotated Reactive O=C(O)CCC/C=C/C[C@H]1[C@@H](CNC(=O)CNC(=O)CCCCC2CCCCC2)[C@H]2CC[C@H]1O2 ZINC000195266429 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@@H]1[C@@H](CNC(=O)CNC(=O)CCCCC2CCCCC2)[C@H]2CC[C@H]1O2 ZINC000195266438 JI Annotated Anodyne Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 ZINC000195297201 JI Annotated Anodyne Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000195297220 JI Annotated Anodyne COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)c1 ZINC000195302607 JI Annotated Reactive COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)c1 ZINC000195302619 JI Annotated Reactive CC(C)(C)[Si](OCc1ccc(=O)n(Cc2ccccc2)n1)(c1ccccc1)c1ccccc1 ZINC000195311527 JI Annotated Reactive CC(C)(C)[Si](OCCc1ccc(=O)n(Cc2ccccc2)n1)(c1ccccc1)c1ccccc1 ZINC000195311538 JI Annotated Reactive Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C[C@@H](C[C@@H]3c3ccccc3)[C@H]2C1=O ZINC000195330208 JI Annotated Anodyne Cc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@@H]2C1=O ZINC000195330220 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000195338849 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000195338863 JI Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@H](CCc2ccccc2)[C@H](C(=O)NCCCOC(C)C)[C@H]1C ZINC000195343934 JI Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@H](CCc2ccccc2)[C@@H](C(=O)NCCCOC(C)C)[C@H]1C ZINC000195343946 JI Annotated Anodyne CC(C)=CCC/C(C)=C\CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000195346312 JI Annotated Mild CC(C)=CCC/C(C)=C\CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000195346323 JI Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000195346334 JI Annotated Mild O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(F)cc1 ZINC000195355321 JI Annotated Anodyne O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)c1ccc(F)cc1 ZINC000195355328 JI Annotated Anodyne N#C[C@]12C(=O)N3C(=N[C@H](c4ccco4)N[C@H]3c3ccco3)[C@@]1(C#N)[C@@H](c1ccco1)NC1=C2CCCC1 ZINC000195356903 JI Annotated Mild N#C[C@]12C(=O)N3C(=N[C@@H](c4ccco4)N[C@H]3c3ccco3)[C@@]1(C#N)[C@@H](c1ccco1)NC1=C2CCCC1 ZINC000195356912 JI Annotated Mild COCO[C@@H]([C@H](CO)c1ccc2c(c1)OCO2)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C ZINC000195366617 JI Annotated Reactive C=C1C[C@@H]2O[C@@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OC(C)=O ZINC000195373553 JI Annotated Mild C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OC(C)=O ZINC000195373560 JI Annotated Mild C=C1C[C@H]2O[C@@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OC(C)=O ZINC000195373566 JI Annotated Mild C=C1C[C@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OC(C)=O ZINC000195373571 JI Annotated Mild CCN1C(NCCc2ccc(Br)cc2)=N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000195386577 JI Annotated Anodyne CCN1C(NCCc2ccc(Br)cc2)=N[C@H](c2ccccc2)[C@@H](C(=O)OC)[C@H]1C ZINC000195386584 JI Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195387813 JI Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000195387819 JI Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195387825 JI Annotated Anodyne CC(C)OC(=O)[C@H](c1ccc2c(c1)OCO2)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C ZINC000195401338 JI Annotated Reactive CN(C)/C=N\C1=N[C@@H]2[C@H](O1)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C ZINC000195402646 JI Annotated Reactive CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(F)F ZINC000195405059 JI Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@H](c3ccccc3)[C@@]13CN(C)CCC3=O)C(=O)N2 ZINC000195410199 JI Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@H](c3ccccc3)[C@]13CN(C)CCC3=O)C(=O)N2 ZINC000195410206 JI Annotated Anodyne C=CCN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000195413076 JI Annotated Mild C=CCOC(=O)C1=C(CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)NC(=N)N2[C@H](CCO)CC[C@@H]12 ZINC000195418944 JI Annotated Reactive O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)CC1 ZINC000195429846 JI Annotated Anodyne C[C@@H](O)c1cc2c(cc1NC(=O)c1cnn3c1N[C@H](c1ccco1)C[C@H]3C(F)(F)F)OCO2 ZINC000195439608 JI Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)cc1OC ZINC000195441155 JI Annotated Reactive COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)cc1OC ZINC000195441160 JI Annotated Reactive CN1CCN(CCCN2CCC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195447329 JI Annotated Anodyne C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@H]1C[C@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@@]12C ZINC000195463994 JI Annotated Mild C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@H]1C[C@H](O)C(C)(C)[C@H](CC(=O)OC)[C@@]12C ZINC000195464001 JI Annotated Mild C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@H]1C[C@@H](O)C(C)(C)[C@H](CC(=O)OC)[C@@]12C ZINC000195464006 JI Annotated Mild COC(=O)[C@H](NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000195465537 JI Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000195469458 JI Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000195469462 JI Annotated Mild CC(=O)O[C@H]1O[C@@H]2[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC2(OCc1ccccc1)OCc1ccccc1 ZINC000195474882 JI Annotated Anodyne CC(C)(C)C(=O)ON1N=N[C@@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000195475214 JI Annotated Mild CC(C)(C)C(=O)ON1N=N[C@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000195475218 JI Annotated Mild COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1[C@H]2[C@@H]2C[C@]1(C(=O)O)c1ccccc12 ZINC000195478396 JI Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1[C@@H]3C[C@](C(=O)O)(c4ccccc43)[C@@H]12 ZINC000195478400 JI Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1[C@@H]2[C@@H]2C[C@]1(C(=O)O)c1ccccc12 ZINC000195478404 JI Annotated Anodyne O=C([C@H]1NN2[C@H](N[C@H](c3cccs3)C[C@H]2C(F)(F)F)[C@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000195481653 JI Annotated Reactive O=C([C@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000195481658 JI Annotated Reactive O=C([C@H]1NN2[C@H](N[C@@H](c3cccs3)C[C@H]2C(F)(F)F)[C@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000195481659 JI Annotated Reactive O=C([C@H]1NN2[C@H](N[C@@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000195481664 JI Annotated Reactive Cc1ccc(Sc2ccccc2[C@]23O[C@@](C)([C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]42)N(C)C3=O)cc1 ZINC000195484532 JI Annotated Anodyne Cc1ccc(Sc2ccccc2[C@@]23O[C@](C)([C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]42)N(C)C3=O)cc1 ZINC000195484538 JI Annotated Anodyne CC(=N/N=C(C)/C(C)=N/N=C/c1ccccn1)/C(C)=N/N=C(C)/C(C)=N/N=C/c1ccccn1 ZINC000195490721 JI Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCO/N=C\[C@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000195499495 JI Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCO/N=C/[C@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000195499497 JI Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCO/N=C\[C@H](C)[C@@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000195499499 JI Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCO/N=C/[C@H](C)[C@@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000195499501 JI Annotated Mild CCCCCCCCCCO[C@@H]1[C@@H]([C@@H](O)CNCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000195501252 JI Annotated Mild CCCCCCCCCCO[C@H]1[C@@H]([C@@H](O)CNCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000195501253 JI Annotated Mild CCCCCCCCCCO[C@@H]1[C@H]([C@@H](O)CNCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000195501256 JI Annotated Mild CCCCCCCCCCO[C@H]1[C@H]([C@@H](O)CNCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000195501259 JI Annotated Mild O=C1C[C@H]([C@](O)(C(F)(F)F)C(F)(F)Cl)CC[C@H]1[C@@](O)(C(F)(F)F)C(F)(F)Cl ZINC000195515460 JI Annotated Mild O=C1C[C@@H]([C@](O)(C(F)(F)F)C(F)(F)Cl)CC[C@H]1[C@@](O)(C(F)(F)F)C(F)(F)Cl ZINC000195515462 JI Annotated Mild O=C(c1ccncc1)[C@H]1C(=O)c2ccccc2[C@@H]1[C@]1(O)c2ccccc2C[C@H]1[C@H](O)c1ccncc1 ZINC000195517978 JI Annotated Anodyne O=C(c1ccncc1)[C@H]1C(=O)c2ccccc2[C@@H]1[C@]1(O)c2ccccc2C[C@H]1[C@@H](O)c1ccncc1 ZINC000195517980 JI Annotated Anodyne O=C(c1ccncc1)[C@H]1C(=O)c2ccccc2[C@@H]1[C@]1(O)c2ccccc2C[C@@H]1[C@H](O)c1ccncc1 ZINC000195517982 JI Annotated Anodyne O=C(c1ccncc1)[C@H]1C(=O)c2ccccc2[C@@H]1[C@]1(O)c2ccccc2C[C@@H]1[C@@H](O)c1ccncc1 ZINC000195517984 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CC(C)C[C@@H]2C3=O)cc(OC)c1OC ZINC000195521824 JI Annotated Anodyne COc1cc([C@H]2N[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CC(C)C[C@@H]2C3=O)cc(OC)c1OC ZINC000195521826 JI Annotated Anodyne COc1cc([C@H]2N[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CC(C)C[C@@H]2C3=O)cc(OC)c1OC ZINC000195521828 JI Annotated Anodyne O=C1Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NS(=O)(=O)C/C=C\CCN1 ZINC000195523232 JI Annotated Anodyne C=C1C[C@@H]2O[C@@H]([C@H]3[C@H](C(C)C)CC[C@](C)(OC(C)=O)[C@@H]23)[C@@](C)(OC(C)=O)CC[C@H]1N(C)C(C)=O ZINC000196515279 JI Annotated Mild COC(=O)[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=C(C)C)C1=O ZINC000196925878 JI Annotated Reactive COC(=O)[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=C(C)C)C1=O ZINC000196925894 JI Annotated Reactive COC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=C(C)C)C1=O ZINC000196925906 JI Annotated Reactive COC(=O)[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=C(C)C)C1=O ZINC000196925922 JI Annotated Reactive C=C(C)[C@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@H]3O[C@@]3(C)CC[C@H]12)OC(C)=O ZINC000197182213 JI Annotated Mild CCCC(=O)O[C@H]1C[C@]23[C@@H](OC(C)=O)O[C@@H]4OC(=O)[C@H](CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)[C@@H]43 ZINC000197361157 JI Annotated Anodyne C=C[C@@](C)(O)[C@@H](C[C@H]1[C@](C)(OC(C)=O)CC[C@H]2C(C)(C)CCC[C@@]21COC(C)=O)OC(C)=O ZINC000197455198 JI Annotated Mild CCOC(=O)C(C)(C)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(C)=O ZINC000197977467 JI Annotated Reactive O=C(CCCCCn1c(O)c2cc(Br)ccc2nc1=S)NC[C@H]1CCCO1 ZINC000198351175 JI Annotated Anodyne O=C(CCCCCn1c(O)c2cc(Br)ccc2nc1=S)NC[C@@H]1CCCO1 ZINC000198351189 JI Annotated Anodyne COC(=O)CCCC#C/C=C/[C@@H](OC)[C@@H](O)CC/C=C(Br)/C=C\Br ZINC000198355777 JI Annotated Mild COC(=O)CCCC#C/C=C/[C@H](OC)[C@H](O)CC/C=C(Br)/C=C\Br ZINC000198355789 JI Annotated Mild COC(=O)CCCC#C/C=C/[C@H](OC)[C@@H](O)CC/C=C(Br)/C=C\Br ZINC000198355798 JI Annotated Mild COC(=O)CCCC#C/C=C/[C@@H](OC)[C@H](O)CC/C=C(Br)/C=C\Br ZINC000198355811 JI Annotated Mild COC(=O)CCCC#C/C=C\[C@H](OC)[C@H](O)CC/C=C(Br)/C=C\Br ZINC000198356436 JI Annotated Mild COC(=O)CCCC#C/C=C\[C@@H](OC)[C@@H](O)CC/C=C(Br)/C=C\Br ZINC000198357273 JI Annotated Mild CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@H]1c1ccccc1 ZINC000198609492 JI Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1[C@]21N=C(N)N2CCON=C21 ZINC000198785186 JI Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1[C@@]21N=C(N)N2CCON=C21 ZINC000198785205 JI Annotated Anodyne C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C ZINC000198804643 JI Annotated Mild C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000198806680 JI Annotated Mild CC(C)C[C@@H]1c2c(cc(O)c(C=O)c2O)O[C@@H](c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@H]1C(C)C ZINC000198939603 JI Annotated Anodyne CO[C@H]1[C@H](C)[C@H](CC(=O)O)O[C@](O)([C@@H](C)C[C@H](C)[C@H](O)[C@@]2(C)O[C@@H]2[C@@H](C)C=C(C)C)C1(C)C ZINC000198949408 JI Annotated Anodyne CO[C@H]1[C@H](C)[C@H](CC(=O)O)O[C@@](O)([C@@H](C)C[C@H](C)[C@H](O)[C@@]2(C)O[C@@H]2[C@@H](C)C=C(C)C)C1(C)C ZINC000198949427 JI Annotated Anodyne CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3Br)c2C(=O)O)CO1 ZINC000199229794 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000199358946 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000199358965 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000199359071 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 ZINC000199359104 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 ZINC000199359411 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 ZINC000199359431 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1ccc(Cl)cc1 ZINC000199359657 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1ccc(Cl)cc1 ZINC000199359673 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000199359877 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000199359903 JI Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 ZINC000199365150 JI Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 ZINC000199365169 JI Annotated Anodyne NC(=O)C1(COc2ccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3n2)CC1 ZINC000199442791 JI Annotated Anodyne COc1cn(-c2ccc3c(c2F)C(C)(C)C(=O)N3CC2CC2)nc(-c2ccnn2-c2ccccc2)c1=O ZINC000199555111 JI Annotated Anodyne in-vitro CCOC(=O)C(C)(C)CC#CCN(CC#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000199721738 JI Annotated Mild COC(=O)Cc1nnn2c1[C@H](C)[C@H](c1ccccc1Br)OC[C@@H]2c1ccccc1 ZINC000199723103 JI Annotated Anodyne COC(=O)Cc1nnn2c1[C@@H](C)[C@@H](c1ccccc1Br)OC[C@@H]2c1ccccc1 ZINC000199723127 JI Annotated Anodyne COC(=O)Cc1c([C@H](C)[C@@H](OC)c2ccccc2Br)nnn1Cc1ccccc1 ZINC000199723354 JI Annotated Anodyne COCCN1Cc2cc(C(=O)OC)c3c(c2C1=O)c1cc(F)ccc1n3C(=O)c1ccccc1 ZINC000199732098 JI Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(C)C2 ZINC000199732811 JI Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(C)C2 ZINC000199732847 JI Annotated Anodyne C=CCNC(=S)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199738630 JI Annotated Mild C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000199738747 JI Annotated Anodyne CCOC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199738894 JI Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000199739623 JI Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(-c4ccc5c(c4)OCO5)cc3[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000199740681 JI Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2ccccc2)C1=O ZINC000199742548 JI Annotated Anodyne C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(CCCCCCCC)C1=O ZINC000199745703 JI Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747317 JI Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2ccccc2)C1=O ZINC000199747590 JI Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747830 JI Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccccc2)C1=O ZINC000199748230 JI Annotated Anodyne C=C[C@@H](c1ccc(O)c(OC)c1)c1c(O)cc2c(c1O)C(=O)[C@H](OC(C)=O)[C@@H](c1ccccc1)O2 ZINC000199843537 JI Annotated Mild Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(CCCC2CCNCC2)cc1Cl ZINC000199938582 JI Annotated Anodyne Cc1cc(Nc2cc(-c3ccc(F)c(N4Cc5cc(C(C)(C)C)sc5C4=O)n3)n[nH]c2=O)nn1C ZINC000199975954 JI Annotated Anodyne COc1cc(C(=O)O[C@@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)cc(OC)c1OC ZINC000002017438 JI Annotated Anodyne COc1cc(C(=O)O[C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)cc(OC)c1OC ZINC000002017439 JI Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/[C@@H]2CCCC[C@@H]2C)C(=O)[C@@]31C ZINC000002113134 JI Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/[C@@H]2CCCC[C@H]2C)C(=O)[C@@]31C ZINC000002113136 JI Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/[C@H]2CCCC[C@@H]2C)C(=O)[C@@]31C ZINC000002113138 JI Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/[C@H]2CCCC[C@H]2C)C(=O)[C@@]31C ZINC000002113140 JI Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/Cc2ccc(C)cc2)C(=O)[C@@]31C ZINC000002116669 JI Annotated Mild CCCCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002161427 JI Annotated Anodyne CCCCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002172087 JI Annotated Anodyne C=CCOc1cccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000002247312 JI Annotated Mild C=CCOc1cccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000002247313 JI Annotated Mild O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1CCS(=O)(=O)O ZINC000002277826 JI Annotated Clean CCCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c(C)c1 ZINC000002314007 JI Annotated Anodyne CCCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c(C)c1 ZINC000002314008 JI Annotated Anodyne O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 ZINC000002456762 JI Annotated Anodyne CCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002457152 JI Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@](O)(C(=O)NCc2cccs2)N1c1ccccc1 ZINC000002457829 JI Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@](O)(C(=O)NCc2cccs2)N1c1ccccc1 ZINC000002457831 JI Annotated Anodyne CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002459324 JI Annotated Anodyne Cc1sc2nc3c(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)cccn3c(=O)c2c1C ZINC000002461904 JI Annotated Anodyne Cc1c(Cl)cccc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1 ZINC000002462735 JI Annotated Bother aggregator Cc1c(Cl)cccc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1 ZINC000002462738 JI Annotated Bother aggregator Cc1c(Cl)cccc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1 ZINC000002462740 JI Annotated Bother aggregator Cc1c(Cl)cccc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1 ZINC000002462741 JI Annotated Bother aggregator Cc1ccc(Cl)cc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1 ZINC000002462743 JI Annotated Bother Cc1ccc(Cl)cc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1 ZINC000002462745 JI Annotated Bother Cc1ccc(Cl)cc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1 ZINC000002462749 JI Annotated Bother Cc1ccc(Cl)cc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1 ZINC000002462751 JI Annotated Bother Cc1cc(Cl)ccc1N1C(=O)[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccs1 ZINC000002462768 JI Annotated Bother Cc1cc(Cl)ccc1N1C(=O)[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccs1 ZINC000002462772 JI Annotated Bother Cc1cc(Cl)ccc1N1C(=O)[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1cccs1 ZINC000002462773 JI Annotated Bother Cc1cc(Cl)ccc1N1C(=O)[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1cccs1 ZINC000002462775 JI Annotated Bother O=C(NCCCN1CCCC1=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002478481 JI Annotated Bother COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000002480271 JI Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002480425 JI Annotated Bother COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002481094 JI Annotated Bother COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002481101 JI Annotated Bother O=C(NCCOCCO)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1F ZINC000002482008 JI Annotated Anodyne COCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000002483176 JI Annotated Anodyne COCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000002483357 JI Annotated Anodyne COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000002483479 JI Annotated Bother CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002486601 JI Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002486603 JI Annotated Anodyne C/N=C(\S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002486640 JI Annotated Mild COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487114 JI Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487117 JI Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487119 JI Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487121 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487215 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487216 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487217 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487218 JI Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002487255 JI Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002487257 JI Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487294 JI Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487296 JI Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487297 JI Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487300 JI Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487319 JI Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487322 JI Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487338 JI Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487340 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487369 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487371 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487373 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487375 JI Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487394 JI Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487398 JI Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487402 JI Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487405 JI Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002487481 JI Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002487483 JI Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487556 JI Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487558 JI Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487562 JI Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487566 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487756 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487902 JI Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC(C)(C)O2)c1ccccc1 ZINC000002488021 JI Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488266 JI Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488268 JI Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488270 JI Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488271 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC(C)(C)O2 ZINC000002488273 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC(C)(C)O2 ZINC000002488275 JI Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488850 JI Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488851 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(C)=O)CC(C)(C)O2 ZINC000002488853 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(C)=O)CC(C)(C)O2 ZINC000002488855 JI Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002489339 JI Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002489340 JI Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002489342 JI Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002489344 JI Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489386 JI Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489387 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489490 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489491 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489493 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489495 JI Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002489519 JI Annotated Anodyne O=C1CCCN1CCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489569 JI Annotated Anodyne O=C1CCCN1CCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489570 JI Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491541 JI Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491543 JI Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491873 JI Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491874 JI Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492003 JI Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492005 JI Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492078 JI Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492081 JI Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492299 JI Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492301 JI Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492309 JI Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492311 JI Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492526 JI Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492529 JI Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000002492597 JI Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000002492599 JI Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)CCc4ccccn4)cc3n2)cc1OC ZINC000002493539 JI Annotated Anodyne Cc1ccc2nc(NS(=O)(=O)c3cc(Br)cc4c3N(C(=O)C3CC3)CC4)sc2c1 ZINC000002496512 JI Annotated Anodyne COc1cc2c(=O)n(C3CCCC3)c(=O)n(CC(=O)c3ccc(Br)s3)c2cc1OC ZINC000002498549 JI Annotated Anodyne CCCN(CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000002498705 JI Annotated Anodyne CCCN(CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000002498707 JI Annotated Anodyne CCCN(CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000002498710 JI Annotated Anodyne CCCN(CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000002498712 JI Annotated Anodyne CC(C)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000002499588 JI Annotated Anodyne CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000020098314 JI Annotated Anodyne aggregator CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000020098315 JI Annotated Anodyne aggregator O/C(=N\Cc1ccc2c(c1)OCO2)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000020101994 JI Annotated Mild COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C#N)c1)[C@H]1c3ccccc3CCN1C2=O ZINC000020105044 JI Annotated Mild COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C#N)c1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020105046 JI Annotated Mild COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C#N)c1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020105048 JI Annotated Mild COc1cc(/C=C2/C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)[C@H]3CC[C@@H]2N3C)cc(OC)c1OC ZINC000020115687 JI Annotated Mild COc1ccc(CNC(=O)c2ccc3c(O)nc4c(C(=O)NC(C)C)sc(=S)n4c3c2)cc1 ZINC000020131853 JI Annotated Anodyne Cc1ccccc1Cn1c(=O)n(-c2ccc(C/C(O)=N/C[C@@H]3CCCO3)cc2)c(=O)c2ccccc21 ZINC000020153007 JI Annotated Mild Cc1ccccc1Cn1c(=O)n(-c2ccc(C/C(O)=N/C[C@H]3CCCO3)cc2)c(=O)c2ccccc21 ZINC000020153010 JI Annotated Mild CCN1CCN(CCC/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)CC1 ZINC000020154146 JI Annotated Mild CCN1CCN(CCC/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)CC1 ZINC000020154148 JI Annotated Mild CCN1CCN(CCC/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)CC1 ZINC000020154150 JI Annotated Mild CCN1CCN(CCC/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)CC1 ZINC000020154152 JI Annotated Mild CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCc3ccccc3C2)[C@@H]1c1cn(C)c2ccccc12 ZINC000020154168 JI Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCc3ccccc3C2)[C@H]1c1cn(C)c2ccccc12 ZINC000020154170 JI Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCc3ccccc3C2)[C@@H]1c1cn(C)c2ccccc12 ZINC000020154172 JI Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCc3ccccc3C2)[C@H]1c1cn(C)c2ccccc12 ZINC000020154174 JI Annotated Anodyne COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN[C@H]2CCC[C@@H](C)[C@@H]2C)cc(OC)c1 ZINC000020155167 JI Annotated Bother COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN[C@H]2CCC[C@H](C)[C@@H]2C)cc(OC)c1 ZINC000020155171 JI Annotated Bother CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000020190605 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)cc1 ZINC000020190608 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(O)c1 ZINC000020190788 JI Annotated Mild Cc1ccc(N(CC(=O)Nc2ccc(C)cc2Cl)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239811 JI Annotated Anodyne COc1cc(NC(=O)C2CCN(c3cc(C)nc4c(-c5ccc(Cl)cc5)c(C)nn34)CC2)ncn1 ZINC000020279997 JI Annotated Anodyne CCOc1ccc2c(c1)[C@H](SCC(=O)N1CCN(c3ncccn3)CC1)CC1(CCCCC1)O2 ZINC000020280070 JI Annotated Anodyne CCOc1ccc2c(c1)[C@@H](SCC(=O)N1CCN(c3ncccn3)CC1)CC1(CCCCC1)O2 ZINC000020280073 JI Annotated Anodyne O=C(NCCc1ccc(Cl)cc1)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1 ZINC000020377533 JI Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12 ZINC000020377581 JI Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12 ZINC000020377585 JI Annotated Anodyne Cc1c(C(=O)NCCCN2CCN(C)CC2)oc2ccc3c(c12)[C@H](O)CC1(CCCCCC1)O3 ZINC000020388499 JI Annotated Anodyne Cc1c(C(=O)NCCCN2CCN(C)CC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCCC1)O3 ZINC000020388504 JI Annotated Anodyne CCCc1cc(=O)n2nc(N3CCC(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)CC3)sc2n1 ZINC000020416687 JI Annotated Anodyne CCCc1cc(=O)n2nc(N3CCC(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)CC3)sc2n1 ZINC000020416689 JI Annotated Anodyne Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020417219 JI Annotated Anodyne Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020417221 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H](n2nnc3c(O)nc(Cc4ccccc4Cl)nc32)C1 ZINC000020443964 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H](n2nnc3c(O)nc(Cc4ccccc4Cl)nc32)C1 ZINC000020443968 JI Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000020454561 JI Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000020454563 JI Annotated Anodyne COC(=O)CC[C@@]1(C)[C@H](C(C)(C)O)CC[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]21)C(=O)OC4 ZINC000200206212 JI Annotated Anodyne CC(=O)N[C@@H](C(=O)N(C)[C@H](C(=O)N/C=C/c1c(CC=C(C)C)[nH]c2ccccc12)C(C)C)C(C)C ZINC000200558674 JI Annotated Anodyne O=C1Nc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2/C1=C/Nc1ccccc1[N+](=O)[O-] ZINC000200773719 JI Annotated Bother COc1c2c(cc3occc13)OC(=O)[C@@H]1[C@H]2[C@@]23C=CC(C)(C)O[C@@]12c1ccccc1N(C)C3=O ZINC000200893946 JI Annotated Anodyne CN(C)CCCOc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nc1 ZINC000201057355 JI Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N(CC(=O)NC2CCC(C)CC2)c2cc(C)cc(C)c2)c1 ZINC000201440823 JI Annotated Anodyne CC(C)NC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000201454669 JI Annotated Anodyne C=CCNC(=O)CN(C(=O)Cc1cccc(OC(F)(F)F)c1)c1cccc(Br)c1 ZINC000201460836 JI Annotated Mild Cc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)no2)cc1 ZINC000201477048 JI Annotated Anodyne Cc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)no2)cc1 ZINC000201477088 JI Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCCCC1 ZINC000201481109 JI Annotated Anodyne CC(C)CN1C(=O)C[C@]2(C(=O)N(C)c3ccc(NC(=O)C(F)(F)F)cc32)[C@H]1c1ccccc1 ZINC000201481215 JI Annotated Anodyne CC(C)CN1C(=O)C[C@]2(C(=O)N(C)c3ccc(NC(=O)C(F)(F)F)cc32)[C@@H]1c1ccccc1 ZINC000201481255 JI Annotated Anodyne COC(=O)[C@H]1C[C@@]2(N3CCCC3)c3ccccc3N(C(=O)OC(C)(C)C)[C@H]2N1C(=O)OC(C)(C)C ZINC000201481905 JI Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc4c(cc3nc2NC)OCO4)c2cc(OC)c(OC)cc12 ZINC000201605182 JI Annotated Anodyne CCNc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(COC)c2cc(OC)c(OC)cc12 ZINC000201608006 JI Annotated Anodyne C=C1CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@H]1OO ZINC000201642827 JI Annotated Reactive CNC(=O)c1cnc(N2CCN(C3CCN([C@H](C)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000202212602 JI Annotated Anodyne CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@H]2[C@H]3C(=CC[C@]12C)[C@](C)(O)CC[C@H]3C(C)(C)O ZINC000202780555 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1cccs1 ZINC000203455857 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCC1CCCCC1 ZINC000203456010 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1cccs1 ZINC000203456028 JI Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458065 JI Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203461972 JI Annotated Anodyne CC(C)(C)OC(=O)N1c2ccccc2[C@]2(N3CCCC3)C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)[C@H]12 ZINC000203463770 JI Annotated Anodyne CCCCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(OC)cc2)C2=CCCCCC[C@@]21C(=O)OCC ZINC000203464433 JI Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)N1CCCCC1 ZINC000203464494 JI Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)N1CCCC1 ZINC000203464516 JI Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)N2CCC(c3ccccc3)CC2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466532 JI Annotated Mild CCOC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4cccc(-c5cccc(F)c5)c4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000203467409 JI Annotated Anodyne CCNC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5cccc(C)c5)cccc4c3CCN2C[C@H]1[C@H](C)O ZINC000203468733 JI Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000203468985 JI Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)N2CCC(c3ccccc3)CC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469266 JI Annotated Mild CCCCNC(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCC[C@]21C(=O)OCC ZINC000203469385 JI Annotated Anodyne CCOC(=O)N1C(=O)C[C@](Sc2ccc(OC)cc2)(C(=O)N2CCCC2)[C@H]1c1ccc(OC)cc1 ZINC000203469894 JI Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(C(=O)C3CC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203469901 JI Annotated Anodyne COc1ccc(S[C@]2(C(=O)NCc3ccccc3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470056 JI Annotated Anodyne COc1ccc(S[C@]2(C(=O)NCCc3ccccc3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470079 JI Annotated Anodyne CC(C)CN1C(=O)C[C@@]2(C(=O)N(C)c3ccc(NC(=O)C(F)(F)F)cc32)[C@H]1c1ccccc1 ZINC000203470259 JI Annotated Anodyne CC(C)CN1C(=O)C[C@@]2(C(=O)N(C)c3ccc(NC(=O)C(F)(F)F)cc32)[C@@H]1c1ccccc1 ZINC000203470263 JI Annotated Anodyne CCCc1cn(-c2ccc3c(c2)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470393 JI Annotated Anodyne CCCc1cn(-c2ccc3c(c2)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470399 JI Annotated Anodyne CCCc1cn(-c2ccc3c(c2)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470876 JI Annotated Anodyne CCCc1cn(-c2ccc3c(c2)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470880 JI Annotated Anodyne C=CCN(CC#CCN(C)C(=O)c1cccn1C(=O)OC(C)(C)C)Cc1ccc(OC)cc1OC ZINC000203471164 JI Annotated Mild COc1ccc(CN(CC#Cc2ccc(C)cc2)/C(N)=N/C(=O)CCc2ccccc2)c(OC)c1 ZINC000203471888 JI Annotated Mild COc1ccc(C#CCN(Cc2ccc(OC)cc2OC)/C(N)=N/C(=O)CCc2ccccc2)cc1 ZINC000203471893 JI Annotated Mild CCCCNC(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCCC[C@]21C(=O)OC ZINC000203472286 JI Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000203472367 JI Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000203472530 JI Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000203472614 JI Annotated Anodyne COc1ccc(CN2C(=O)[C@]3(NCCc4c3[nH]c3ccc(OC)cc43)c3cc(F)ccc32)cc1 ZINC000203473213 JI Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(-c4ccc(C(F)(F)F)cn4)c3C2)CCO[C@@H]1c1cc(F)ccc1F ZINC000204217804 JI Annotated Anodyne CN(C)C(=O)Cn1ccc(Nc2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)n1 ZINC000204817539 JI Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc(Cl)cc2)c1 ZINC000204876596 JI Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc(Cl)cc2)c1 ZINC000204876611 JI Annotated Anodyne Cc1ccc(N[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H]([C@H]3COC(C)(C)O3)O[P@@]2(=O)c2ccccc2)cc1 ZINC000204902448 JI Annotated Anodyne Cc1ccc(N[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H]([C@H]3COC(C)(C)O3)O[P@]2(=O)c2ccccc2)cc1 ZINC000204902476 JI Annotated Anodyne C[C@@H]1CN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CCO1 ZINC000204956370 JI Annotated Anodyne C[C@H]1CN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CCO1 ZINC000204956393 JI Annotated Anodyne C[C@@H]1CN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)CCO1 ZINC000204965102 JI Annotated Anodyne C[C@H]1CN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)CCO1 ZINC000204965120 JI Annotated Anodyne C[C@H]1CN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)C[C@@H](C)O1 ZINC000204965147 JI Annotated Anodyne C[C@H]1CN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)C[C@H](C)O1 ZINC000204965169 JI Annotated Anodyne C[C@@H]1CN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)C[C@@H](C)O1 ZINC000204965182 JI Annotated Anodyne C[C@H]1CN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)C[C@@H](C)N1 ZINC000204974622 JI Annotated Anodyne C[C@H]1CN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)C[C@@H](C)N1 ZINC000204974652 JI Annotated Anodyne COC1CCN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1 ZINC000204974680 JI Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc3ccoc3c2)c1 ZINC000204980938 JI Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc3ccoc3c2)c1 ZINC000204980962 JI Annotated Anodyne COC(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)Cc1cc(C)cc(C)c1 ZINC000204984943 JI Annotated Anodyne COC(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1cc(C)cc(C)c1 ZINC000204984957 JI Annotated Anodyne C[C@@H]1COCCN1c1cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc2c1 ZINC000204990872 JI Annotated Anodyne C[C@H]1COCCN1c1cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc2c1 ZINC000204990891 JI Annotated Anodyne C[C@@H]1COCCN1c1cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1 ZINC000204990924 JI Annotated Anodyne C[C@H]1COCCN1c1cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1 ZINC000204990937 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCN(C)C2CCCCC2)[C@@H]1c1cccs1 ZINC000020508246 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCN(C)C2CCCCC2)[C@@H]1c1cccs1 ZINC000020508249 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000020560972 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000020560974 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020562096 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020562099 JI Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000020562108 JI Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000020562111 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000020562131 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000020562133 JI Annotated Mild CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581055 JI Annotated Anodyne CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581080 JI Annotated Anodyne CN(CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1)Cc1ccccc1 ZINC000020581109 JI Annotated Anodyne CN(CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1)C1CCCCC1 ZINC000020581136 JI Annotated Anodyne CCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)cc1OC ZINC000020581152 JI Annotated Anodyne O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCCN(Cc2ccc(F)cc2)C1 ZINC000020581188 JI Annotated Anodyne O=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581269 JI Annotated Anodyne CC(C)CCN1CCC(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000020581272 JI Annotated Anodyne CCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581280 JI Annotated Anodyne CCCN1CCN(C(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)CC1 ZINC000020597766 JI Annotated Anodyne CCc1nnc(NC(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(C)c(C)c4)S3(=O)=O)cc2)s1 ZINC000020597892 JI Annotated Anodyne CCCCNC(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(-c3cccc(Cl)c3C)c21 ZINC000020598069 JI Annotated Anodyne CCN(CC)C(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(-c3cccc(Cl)c3C)c21 ZINC000020598071 JI Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CC/N=C(\O)c1cc(O)nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc12 ZINC000020686732 JI Annotated Mild CC1CCN(S(=O)(=O)c2ccc3[nH]cc(/C(O)=N/[C@@H]4CCC[C@@H](C)[C@@H]4C)c(=O)c3c2)CC1 ZINC000020753994 JI Annotated Mild CC1CCN(S(=O)(=O)c2ccc3[nH]cc(/C(O)=N/[C@@H]4CCC[C@H](C)[C@@H]4C)c(=O)c3c2)CC1 ZINC000020754002 JI Annotated Mild COc1ccc(-c2noc(NCCCN3CCN(c4cccc(C)c4)[C@@H](C)C3)n2)cc1OC ZINC000020930908 JI Annotated Anodyne Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1 ZINC000020998348 JI Annotated Anodyne Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1 ZINC000020998350 JI Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc3scnc3c2)c1 ZINC000205004732 JI Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc3scnc3c2)c1 ZINC000205004753 JI Annotated Anodyne N#C[C@H]1C[C@@H](C(=O)NC(C2CC2)C2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000205027813 JI Annotated Mild CC(C)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1F)[C@H](O)C(F)(F)F ZINC000205072348 JI Annotated Mild N#Cc1ccccc1CSc1nnc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2n1 ZINC000205099354 JI Annotated Mild Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc3cc[nH]c3c2)c1 ZINC000205117773 JI Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc3cc[nH]c3c2)c1 ZINC000205117793 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000205207294 JI Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205209808 JI Annotated Anodyne CCOCCOc1cccc2[nH]c([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)NCc3ccc(OC)cc3)nc12 ZINC000205209921 JI Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)N(Cc2ccccc2Cl)C(=O)COC3)c1 ZINC000205210954 JI Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205212331 JI Annotated Anodyne C=C(C)C[C@@]1(O)C(=O)N(Cc2cn(CCc3c[nH]c4ccccc34)nn2)c2cccc(Cl)c21 ZINC000205213747 JI Annotated Mild N#Cc1cccc(CN2CCN3C(C(=O)Nc4ccc(Oc5ccccc5)cc4)=COC3=NC2=O)c1 ZINC000205214018 JI Annotated Mild O=C(NCc1cccc(Cl)c1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205216342 JI Annotated Anodyne O=C(Nc1ccc(-n2cccc2)cc1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205227048 JI Annotated Anodyne CC1=C[C@@H](/C=C(\C)CCCC2=CCN(CC(=O)O)C2=O)[C@]2(OC(=O)C(C)=C2O)[C@@H]2[C@@H](C)CC[C@@H]12 ZINC000205229271 JI Annotated Anodyne CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C(=O)N(C)C)cc2)c1 ZINC000205230290 JI Annotated Anodyne COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3ccccc3Br)c2)cc1OC ZINC000205231319 JI Annotated Anodyne CNc1nc2cnc(Nc3ccc4c(c3)OCCO4)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000205234870 JI Annotated Anodyne O=C(Nc1cccc(OC(F)(F)F)c1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205235187 JI Annotated Anodyne C[C@]1(C(=O)N(CCCC(=O)O)Cc2ccc3cc[nH]c3c2)CCN1C(=O)Cc1coc2ccccc12 ZINC000205237570 JI Annotated Anodyne C[C@@]1(C(=O)N(CCCC(=O)O)Cc2ccc3cc[nH]c3c2)CCN1C(=O)Cc1coc2ccccc12 ZINC000205237589 JI Annotated Anodyne C=C1C[C@@H](OC(C)=O)[C@H](C(C)(C)OC(C)=O)[C@@H]2[C@H]1[C@H]1C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000205379673 JI Annotated Mild COc1cccc(F)c1CN1CCC[C@H](NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)C1 ZINC000205435858 JI Annotated Anodyne CC(C)OC(=O)N1CCC(N(C)c2ncnc3c(-c4ccc(S(C)(=O)=O)cc4)csc23)CC1 ZINC000205466299 JI Annotated Anodyne CC(C)=C[C@H](O)c1c(-c2cc(O)c(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000205483005 JI Annotated Clean CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(OC)c2OC)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000205555927 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2OC)N(c2ccccc2)O[C@]12C(=O)Nc1ccc(F)cc12 ZINC000205556100 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2OC)N(c2ccccc2)O[C@]12C(=O)Nc1ccc(F)cc12 ZINC000205556127 JI Annotated Anodyne CCN(c1ccc(OC)cc1)S(=O)(=O)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000205575595 JI Annotated Anodyne in-vitro CNc1cc2ccc(C#CCOc3ccc(CN4CCNCC4)c(C(F)(F)F)c3)cc2cn1 ZINC000205635836 JI Annotated Mild O=C1C[C@@H](c2ccc3c(c2)OCO3)N=C2N(Cc3ccc4c(c3)OCO4)C/C(=C/c3ccccc3)N12 ZINC000205704341 JI Annotated Anodyne O=C1C[C@H](c2ccc3c(c2)OCO3)N=C2N(Cc3ccc4c(c3)OCO4)C/C(=C/c3ccccc3)N12 ZINC000205704357 JI Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000205729077 JI Annotated Anodyne Cc1cccc(Cl)c1-n1nnnc1[C@@H]1c2ccccc2OCC(=O)N1CCc1ccccc1F ZINC000205858139 JI Annotated Anodyne Cc1cccc(Cl)c1-n1nnnc1[C@H]1c2ccccc2OCC(=O)N1CCc1ccccc1F ZINC000205858157 JI Annotated Anodyne CCOC(=O)[C@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1-c1c(C)cccc1C ZINC000205858259 JI Annotated Anodyne CCOC(=O)[C@@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1-c1c(C)cccc1C ZINC000205858276 JI Annotated Anodyne CCOC(=O)[C@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205858531 JI Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205858547 JI Annotated Anodyne COc1ccc(Cn2cc(-n3c(=O)[nH]c4ccccc43)cc(-c3cccs3)c2=O)cc1OC ZINC000205859714 JI Annotated Anodyne CCCCNC(=O)[C@@H](C(C)=O)N(Cc1ccccc1Cl)C(=O)Cc1cc(F)cc(F)c1 ZINC000205862775 JI Annotated Anodyne CCCCNC(=O)[C@H](C(C)=O)N(Cc1ccccc1Cl)C(=O)Cc1cc(F)cc(F)c1 ZINC000205862796 JI Annotated Anodyne C=C(CC[C@](C)(O)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000205863581 JI Annotated Mild CC(C)CCC[C@](C)(O)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000205863624 JI Annotated Mild CO[C@H](/C=C(/C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)CC(C)C ZINC000205867903 JI Annotated Mild Cc1nc(S(=O)(=O)N2[C@H](c3nc4c(OCc5ccccc5)cccc4[nH]3)[C@H]3CC[C@@H]2C3)cn1C ZINC000206017314 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(OCC4CCOCC4)cccc3[nH]2)[C@H]2CC[C@@H]1C2 ZINC000206018028 JI Annotated Anodyne COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N(C(=O)C3CC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024874 JI Annotated Anodyne COc1ccc(S[C@]2(c3nc(-c4cccnc4)no3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206025165 JI Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc3c(C)cc(=O)oc3c2)c2ccc(F)cc21 ZINC000206032347 JI Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc3c(C)cc(=O)oc3c2)c2ccc(F)cc21 ZINC000206032362 JI Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc3c(C)cc(=O)oc3c2)c2c(F)cccc21 ZINC000206032385 JI Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc3c(C)cc(=O)oc3c2)c2c(F)cccc21 ZINC000206032400 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1N(C)c3ccccc3[C@@]13CCN(S(=O)(=O)C(F)(F)F)C3=C2 ZINC000206037816 JI Annotated Clean O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccccc3)CC[C@]23CCCN13 ZINC000206040262 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206040298 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206040360 JI Annotated Anodyne O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC[C@]23CCCN13 ZINC000206040393 JI Annotated Anodyne N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206040469 JI Annotated Mild COc1ccc(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206040508 JI Annotated Anodyne O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@]23CCCN13 ZINC000206040548 JI Annotated Bother O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3cccs3)CC[C@]23CCCN13 ZINC000206040821 JI Annotated Anodyne O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)Cc3ccccc3)CC[C@]23CCCN13 ZINC000206040877 JI Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(Br)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042098 JI Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCCCc3ccc(Cl)cc3)nccc2c1 ZINC000206089960 JI Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccccc3OCC(F)(F)F)nccc2c1 ZINC000206096911 JI Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(N3CCO[C@H](c4ccccc4)C3)cccc2c1 ZINC000206121204 JI Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(N3CCO[C@@H](c4ccccc4)C3)cccc2c1 ZINC000206121236 JI Annotated Anodyne C[C@]1(c2ccccc2)CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206121284 JI Annotated Anodyne C[C@@]1(c2ccccc2)CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206121314 JI Annotated Anodyne CC1=CC[C@H]([C@H](C)C2=CC[C@]3(C)C(=C2C)C[C@]2(O)C=C4C=CC(=O)OC(C)(C)[C@@H]4[C@H](O)C[C@@H]32)OC1=O ZINC000206313623 JI Annotated Anodyne Cn1nc(-c2cccc(CN[C@H]3CCc4ccc(O)cc43)c2)c2cnc(NCCCN3CCCC3)nc21 ZINC000206781896 JI Annotated Anodyne Cc1cnccc1/C=C\c1cccc(OCCN2CCc3ccc(S(C)(=O)=O)cc3CC2)c1 ZINC000206802494 JI Annotated Anodyne O=C(c1csc(-c2cccnc2)n1)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877076 JI Annotated Anodyne COc1ccc(/C=C\C(=O)N2CCc3cc4nccc(N5CCN6CCC[C@@H]6C5)c4cc32)cc1 ZINC000206877252 JI Annotated Anodyne COc1ccc(/C=C/C(=O)N2CCc3cc4nccc(N5CCN6CCC[C@@H]6C5)c4cc32)cc1 ZINC000206877294 JI Annotated Anodyne O=C(COc1ccccc1Cl)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877481 JI Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cccc(F)c3)ccc2=O)c1 ZINC000206890015 JI Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3ccc(F)cc3)ccc2=O)c1 ZINC000206890079 JI Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cc(F)cc(F)c3)ccc2=O)c1 ZINC000206893678 JI Annotated Anodyne COc1ccc2ccn(-c3ccc(=O)n(Cc4cccc(NC(=O)OCCCCN(C)C)c4)n3)c2c1 ZINC000206909746 JI Annotated Anodyne Cc1ccc2ccn(-c3ccc(=O)n(Cc4cccc(NC(=O)OCCCCN(C)C)c4)n3)c2c1 ZINC000206912418 JI Annotated Anodyne CO[C@@H](c1cn(CC#Cc2cn([C@@H]3CCCS3)c(=O)nc2N)c(C2CCCCC2)n1)C(F)(F)F ZINC000207093315 JI Annotated Mild CO[C@H](c1cn(CC#Cc2cn([C@@H]3CCCS3)c(=O)nc2N)c(C2CCCCC2)n1)C(F)(F)F ZINC000207093359 JI Annotated Mild CO[C@@H](c1cn(CC#Cc2cn([C@H]3CCCS3)c(=O)nc2N)c(C2CCCCC2)n1)C(F)(F)F ZINC000207093405 JI Annotated Mild CO[C@H](c1cn(CC#Cc2cn([C@H]3CCCS3)c(=O)nc2N)c(C2CCCCC2)n1)C(F)(F)F ZINC000207093447 JI Annotated Mild COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)C[C@@H](C(=O)NCc1ccccc1)CC3 ZINC000207207061 JI Annotated Anodyne COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)C[C@H](C(=O)NCc1ccccc1)CC3 ZINC000207207107 JI Annotated Anodyne [C-]#[N+][C@]12[C@@H](O)C(=O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C ZINC000207227556 JI Annotated Reactive Cc1cc(F)c(-c2nc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@@H](C#N)[C@@H](C)C3)ccc2F)c(F)c1 ZINC000207270889 JI Annotated Mild C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)C12OCCO2 ZINC000207319084 JI Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)C12OCCO2 ZINC000207319118 JI Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@@]1(C=C([S@@](=O)Cc3ccccc3)C(=O)C[C@H]1C)C2=O ZINC000208166451 JI Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@@]1(C=C([S@](=O)Cc3ccccc3)C(=O)C[C@H]1C)C2=O ZINC000208166491 JI Annotated Mild C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2O[C@@H]2CCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000208952006 JI Annotated Anodyne C/C(=C/c1csc(C)n1)[C@@H]1C[C@H]2O[C@@H]2CCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000208952039 JI Annotated Anodyne COCC(=O)n1ccc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21 ZINC000208991754 JI Annotated Anodyne COc1cc(O)cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2COC(C)=O)c1 ZINC000209088512 JI Annotated Bother CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1ccc(O)c(C(=O)O)c1 ZINC000210447170 JI Annotated Anodyne O=C(CC1CCCCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000210463040 JI Annotated Bother C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@H](OC(C)(C)[C@@H]2CC[C@H](C)[C@@H]3CCC(C)=C3C2)[C@H]1O ZINC000210475052 JI Annotated Anodyne CCCCCC[C@H](C)C(=O)C[C@H]1C2=COC([C@@H]3C(=O)C[C@@H](O)C[C@H]3C)=CC2=CC(=O)[C@]1(C)O ZINC000211216133 JI Annotated Mild CCCCCC[C@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C4=C(C)C[C@H](O)CC4=O)OC=C3[C@H]12 ZINC000211218636 JI Annotated Mild CCCCCC[C@H](C)C(=O)C[C@H]1C2=COC(C3=C(C)C[C@H](O)CC3=O)=CC2=CC(=O)[C@]1(C)O ZINC000211218694 JI Annotated Mild COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3-c3ccco3)C[C@]21C ZINC000211226654 JI Annotated Anodyne CO[C@H]1O[C@H](OC)[C@@]2(C)CC(C)(C)[C@@]34Oc5c(c(=O)oc6cccc(O)c56)[C@@H]3C[C@@H](C)C1=C24 ZINC000211229098 JI Annotated Anodyne CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2)[C@H]1NC(C)=O ZINC000213848662 JI Annotated Anodyne CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)cc2)[C@H]1NC(C)=O ZINC000213848929 JI Annotated Anodyne CO[C@@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2C[C@H](O)[C@H]3[C@@H]4C[C@H]5OC(=O)CC=CC5=C(C)[C@H]4CC[C@@]321 ZINC000213946071 JI Annotated Anodyne CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2C[C@H](O)[C@H]3[C@@H]4C[C@H]5OC(=O)CC=CC5=C(C)[C@H]4CC[C@@]132 ZINC000213946133 JI Annotated Anodyne Cc1nc2nc(N(Cc3ccc(F)cc3)C(=O)c3ccco3)nn2c(O)c1Cc1ccccc1 ZINC000021660247 JI Annotated Anodyne Cc1ccc(CN(C(=O)c2ccco2)c2nc3nc(C)c(Cc4ccccc4)c(O)n3n2)cc1 ZINC000021660254 JI Annotated Anodyne COc1ccc([C@@]2(O)c3c(ccc(/C=C\[C@]4(C)CCC(C)(C)CO4)c3O)NC(=O)[C@H]2OC)cc1 ZINC000215152733 JI Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C\C=C/c1ccc2c(c1)OC(C)(C)[C@H](OC[C@H]1OC1(C)C)CO2 ZINC000215415298 JI Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C/C=C\c1ccc2c(c1)OC(C)(C)[C@H](OC[C@H]1OC1(C)C)CO2 ZINC000215415338 JI Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C\C=C\c1ccc2c(c1)OC(C)(C)[C@H](OC[C@H]1OC1(C)C)CO2 ZINC000215415388 JI Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncc(C#N)c2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215505189 JI Annotated Mild COc1cc(Cl)c(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215511933 JI Annotated Mild COc1cc(Cl)c(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000215512002 JI Annotated Mild COc1ccc(C2=CCOCC2)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215513063 JI Annotated Anodyne COc1cc(OCC(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215513651 JI Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3cnn(-c4cccc(Cl)c4)c3)nccc2c1 ZINC000215517940 JI Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1c[nH]c(=O)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215525092 JI Annotated Anodyne CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)CC1 ZINC000215832714 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C)(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1 ZINC000215832993 JI Annotated Anodyne COc1cc(OCc2csc(N3CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000216137859 JI Annotated Anodyne COc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216199025 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4C[C@@H](C2)C(F)(F)[C@@H](C4)C3)cc1F ZINC000216200118 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4C[C@@H](C2)C(F)(F)[C@@H](C4)C3)cc1F ZINC000216200285 JI Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216201876 JI Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216203038 JI Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)CC(C)(C)CC3)cc1F ZINC000216205186 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCC3(CCC3)CC2)cc1F ZINC000216239932 JI Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CCC(F)(F)CC2)cc1F ZINC000216240933 JI Annotated Anodyne O=C(NS(=O)(=O)[C@@H]1CCOC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216241193 JI Annotated Anodyne O=C(NS(=O)(=O)[C@H]1CCOC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216241241 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23CC4C[C@@H](C2)C(F)(F)[C@@H](C4)C3)cc1F ZINC000216245656 JI Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CCC2(CC1)CC2(F)F ZINC000216247893 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F ZINC000216248623 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1cc([C@@H]2CC2(F)F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216250892 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1cc([C@H]2CC2(F)F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216250935 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc([C@@H]2CC2(F)F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216251116 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc([C@H]2CC2(F)F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216251158 JI Annotated Anodyne CC(C)(F)c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216251778 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1F ZINC000216268752 JI Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3C)cnc2[nH]1 ZINC000217031567 JI Annotated Anodyne CC1(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc45)cc3)CC2)CC1 ZINC000217618085 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc23)cc1)N1CCC(O)(CC2CCC2)CC1 ZINC000217618338 JI Annotated Anodyne CC(C)CC1(CO)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000217620311 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CC2CCC2)CC1 ZINC000217622408 JI Annotated Anodyne C=C(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 ZINC000217630808 JI Annotated Mild CC1(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3)CC2)CC1 ZINC000217631477 JI Annotated Anodyne CC(C)CC1(CO)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 ZINC000217635164 JI Annotated Anodyne CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000217725832 JI Annotated Anodyne CC(C)Oc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)cc1Cl ZINC000217905108 JI Annotated Anodyne COc1cc(S(N)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCCC2)ccc1F ZINC000218113601 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCC(Cl)(Cl)CC2)cc1F ZINC000218212315 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F ZINC000218212666 JI Annotated Anodyne COc1cccc(-c2ccn[nH]2)c1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218364023 JI Annotated Anodyne COc1cccc(-c2ncccn2)c1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218364374 JI Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(Br)cn3)[C@H]1C2 ZINC000218374899 JI Annotated Anodyne C/C=C/c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000218378259 JI Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)(F)C1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000218399536 JI Annotated Anodyne COc1ccccc1OCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000218481374 JI Annotated Anodyne CCOc1ncc2ccccc2c1C(=O)N1C[C@H]2C[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218511377 JI Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218524404 JI Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-c2ncccn2)c1 ZINC000218524745 JI Annotated Anodyne O=C(c1c(F)cccc1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218537264 JI Annotated Anodyne O=C(c1ccc(F)cc1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218537619 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C(=O)N3CC[C@]4(C)c5cccc(O)c5C[C@@H]3C4(C)C)C2)cc1 ZINC000218793272 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)N3CC[C@]4(C)c5cccc(O)c5C[C@@H]3C4(C)C)C2)cc1 ZINC000218793362 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@@H](C(=O)N3CC[C@]4(C)c5cccc(O)c5C[C@@H]3C4(C)C)C2)c1 ZINC000218798319 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)N3CC[C@]4(C)c5cccc(O)c5C[C@@H]3C4(C)C)C2)c1 ZINC000218798398 JI Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCOCC6)cc5c4)n3c2)cn1 ZINC000218825918 JI Annotated Anodyne O=C(Cn1ccc(NC(=O)c2cscn2)cc1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000218833525 JI Annotated Anodyne CCNC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)C1 ZINC000218905804 JI Annotated Mild O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCC2)cn1 ZINC000219005503 JI Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(c4nc5ccc(C(F)(F)F)cc5[nH]4)CC3)c2c1 ZINC000219127381 JI Annotated Anodyne CC(=O)c1ccc(Cn2nc3c(c2Nc2ccc(F)c(C)c2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 ZINC000219134596 JI Annotated Anodyne CC(=O)c1ccc(Cn2nc3c(c2Nc2ccc(F)c(F)c2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 ZINC000219139639 JI Annotated Anodyne CC(=O)n1cc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000219204971 JI Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3cccnc3c2)[nH]1 ZINC000219321278 JI Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccnc(OC)c3c2)[nH]1 ZINC000219322764 JI Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3ccc(CN4CC5(COC5)C4)cn3)c2)ccc1OC1CCOCC1 ZINC000219335173 JI Annotated Mild CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2cccc3cccnc23)[nH]1 ZINC000219354108 JI Annotated Anodyne COc1nc(Nc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)n2)ccc1C1=CCNCC1 ZINC000219359859 JI Annotated Mild COCCN1CCN(c2nc(SCCc3ccccc3F)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219375546 JI Annotated Mild CN1CCN(C(=O)CNc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000219380824 JI Annotated Anodyne C[C@H]1CN(c2nc(SCCc3ccc(N)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000219394385 JI Annotated Mild C[C@H]1CN(c2nc(SCCc3ccc(N)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@H](C)O1 ZINC000219394461 JI Annotated Mild C[C@@H]1CN(c2nc(SCCc3ccc(N)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000219394540 JI Annotated Mild COCCN1CCN(c2nc(SCCc3cccc(F)c3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219427686 JI Annotated Mild CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 ZINC000219595657 JI Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3[nH]ccc3c2)[nH]1 ZINC000219595755 JI Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3cc(OC)ncc3c2)[nH]1 ZINC000219609508 JI Annotated Anodyne O=C1N[C@H](C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCC(F)(F)F)CO1 ZINC000219780297 JI Annotated Anodyne C[C@@H](c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1 ZINC000219792902 JI Annotated Anodyne C[C@H](c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1 ZINC000219792966 JI Annotated Anodyne O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCCOc3cccc(Cl)c3)ccc1-2 ZINC000219836259 JI Annotated Anodyne O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCCOc3cccc(Cl)c3)ccc1-2 ZINC000219836327 JI Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953266 JI Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953337 JI Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219954108 JI Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219954154 JI Annotated Anodyne in-vitro CCCN1C/C(=C\c2cccc(OC)c2OC)C2=NN(C(C)=O)[C@H](c3cccc(OC)c3OC)[C@H]2C1 ZINC000022017424 JI Annotated Anodyne CCCN1C/C(=C\c2cccc(OC)c2OC)C2=NN(C(C)=O)[C@H](c3cccc(OC)c3OC)[C@@H]2C1 ZINC000022017428 JI Annotated Anodyne Cc1nnc2n(CCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)c3ccccc3n12 ZINC000022036228 JI Annotated Anodyne OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000022442550 JI Annotated Anodyne NC(=O)N(O)CCC#Cc1ccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000022445489 JI Annotated Mild CN1CCN(CCCc2cccc3c2[nH]c2c4ccc5ccn(C)c5c4c4c(c32)C(=O)NC4=O)CC1 ZINC000022452042 JI Annotated Bother Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OC[C@@H]4CCCN64)n3c2)cn1 ZINC000220131929 JI Annotated Anodyne Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OC[C@H]4CCCN64)n3c2)cn1 ZINC000220132006 JI Annotated Anodyne O=C(NCCN1CCC(O)(Cc2ccccc2Br)CC1)Nc1ccnc2ccsc12 ZINC000220150546 JI Annotated Anodyne O=C(NCCN1CCC(O)(Cc2cccc(Br)c2)CC1)Nc1ccnc2ccsc12 ZINC000220150631 JI Annotated Anodyne COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220221314 JI Annotated Anodyne COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000220221387 JI Annotated Anodyne Cc1ncccc1-n1nc2c(c1C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220221819 JI Annotated Anodyne Cc1ncccc1-n1nc2c(c1C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220221878 JI Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(OC(F)(F)F)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220281877 JI Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(OC(F)(F)F)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220281939 JI Annotated Anodyne O=C(CO)N1CCC(c2cc3c(-c4nc(NCc5cccc(F)c5)c(F)cc4F)ccnc3[nH]2)CC1 ZINC000220287514 JI Annotated Anodyne CCc1nn(CCOC)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000220301651 JI Annotated Anodyne CCc1nn(CCOC)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000220301714 JI Annotated Anodyne CNC(=O)N1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220306545 JI Annotated Anodyne CNC(=O)N1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220327039 JI Annotated Anodyne CNC(=O)N1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220346002 JI Annotated Anodyne CNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220346099 JI Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 ZINC000220562884 JI Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c4cccnc34)cc2)CC1 ZINC000220562973 JI Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](c3ccccc3)[C@H](O)C(=O)O)C2=O)cc1 ZINC000220568646 JI Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](c3ccccc3)[C@H](O)C(=O)O)C2=O)cc1 ZINC000220568714 JI Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](c3ccccc3)[C@@H](O)C(=O)O)C2=O)cc1 ZINC000220568787 JI Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](c3ccccc3)[C@@H](O)C(=O)O)C2=O)cc1 ZINC000220568866 JI Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c4scnc34)cc2)CC1 ZINC000220603535 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Oc3ccc(F)cc3F)cn2)n1 ZINC000220641831 JI Annotated Anodyne N#Cc1cnc2c(Nc3ccc(Cl)c([C@]4(C(F)F)N=C(N)O[C@H]5C[C@H]54)c3)ncc(F)c2c1 ZINC000220652787 JI Annotated Mild N#Cc1cnc2c(Nc3ccc(Cl)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)ncc(F)c2c1 ZINC000220653238 JI Annotated Mild NC1=N[C@@](c2cc(Nc3nccc4nc(C(F)(F)F)cnc34)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000220653792 JI Annotated Anodyne NC1=N[C@@](c2cc(Nc3ncc(F)c4cc(Cl)cnc34)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000220653975 JI Annotated Anodyne NC1=N[C@@](c2cc(Nc3ncnc4cc(C(F)(F)F)cnc34)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000220654817 JI Annotated Anodyne CC(C)(C)C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000220753597 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CC2CCC2)CC1 ZINC000220753687 JI Annotated Anodyne O=C(O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(-c5cccc(F)c5F)cc34)CC2)o1 ZINC000220768201 JI Annotated Anodyne COc1ccc(-c2ccc3[nH]nc(C(=O)NCC4CCN(Cc5ccc(C(=O)O)o5)CC4)c3c2)cc1 ZINC000220769308 JI Annotated Anodyne O=C(O)CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(Cl)c4Cl)cc23)CC1 ZINC000220778239 JI Annotated Anodyne O=C(O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(-c5ccccc5F)cc34)CC2)o1 ZINC000220804427 JI Annotated Anodyne COc1cccc(-c2c(C)cnn2C)c1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221039575 JI Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(C(F)(F)F)cn2)C3)n1 ZINC000221040880 JI Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c1-c1cccnn1 ZINC000221042619 JI Annotated Anodyne CCOc1ncc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221043130 JI Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1 ZINC000221044884 JI Annotated Anodyne CCOc1ccc2cccnc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221046469 JI Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncccn1 ZINC000221050501 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(OCc3ccc(F)cc3F)cn2)n1 ZINC000221128030 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(OCc3ccc(F)cc3F)cn2)n1 ZINC000221128093 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(OCc3cccc(F)c3)cn2)n1 ZINC000221128754 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(OCc3cccc(F)c3)cn2)n1 ZINC000221128812 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(Oc3ccc(F)cc3F)cn2)n1 ZINC000221132472 JI Annotated Anodyne O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000221180651 JI Annotated Anodyne O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000221180896 JI Annotated Clean Cc1cccc(C)c1NS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221189229 JI Annotated Mild N#C[C@H]1C[C@@H](N2CC3(CCC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221205779 JI Annotated Mild N#C[C@H]1C[C@H](N2CC3(CCC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221205890 JI Annotated Mild O=C(c1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000221267006 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000221268018 JI Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4csnc34)cc2)CC1 ZINC000221269240 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221271674 JI Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221272546 JI Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3csc4cccnc34)cc2)CC1 ZINC000221276549 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221281371 JI Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3c(F)ccc4ncsc34)cc2)CC1 ZINC000221282973 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221283591 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3ncccc23)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000221284426 JI Annotated Anodyne CC(C)CC1(N)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 ZINC000221286846 JI Annotated Anodyne CCCCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221287427 JI Annotated Anodyne CC(F)(F)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 ZINC000221302840 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)ncc1F ZINC000221306836 JI Annotated Anodyne COc1ccc(CCc2cc(OC)c3c(c2)O[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H](CO)O3)cc1 ZINC000221365805 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221605226 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(F)c2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221605338 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(C#N)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221605472 JI Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(F)c(F)c2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221605617 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2F)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221605767 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221605904 JI Annotated Clean CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(OC)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221606236 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)N(c2ccccc2)O[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221606454 JI Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)N(c2ccccc2)O[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221606567 JI Annotated Mild O=C(c1c(F)cccc1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(Br)cn3)[C@H]1C2 ZINC000221696528 JI Annotated Anodyne COc1ccc2[nH]cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1 ZINC000221754008 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4ccc(O)cc34)c2)c2cncnc21 ZINC000221755179 JI Annotated Anodyne CC1(C)CN=C(N2CCN(c3ncnc4sc(C(F)(F)C(F)(F)F)cc34)CC2)S1 ZINC000221780974 JI Annotated Anodyne in-vitro N#C[C@H]1C[C@@H]([N+]2(CC3CC3)CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221825119 JI Annotated Mild N#C[C@H]1C[C@H]([N+]2(CC3CC3)CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221825240 JI Annotated Mild CCN(c1cccc2c1CCCCCCc1cc(C)[nH]c(=O)c1CNC2=O)C1CCOCC1 ZINC000221831824 JI Annotated Anodyne C[C@@H]1C[C@@H](C)N1[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221832232 JI Annotated Mild C[C@H](N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)(F)F)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221833178 JI Annotated Mild CC(C)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1F)[C@@H](O)C(F)(F)F ZINC000221849170 JI Annotated Mild C[C@H]1C[C@H](C)N1[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221856014 JI Annotated Mild C[C@H]1C[C@H](C)N1[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221856149 JI Annotated Mild N#C[C@H]1C[C@@H](OC(=O)NC2CCCCC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221862092 JI Annotated Mild N#C[C@H]1C[C@@H](OC(=O)NC2CCCCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221862143 JI Annotated Mild N#C[C@H]1C[C@H](OC(=O)NC2CCCCC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221862189 JI Annotated Mild N#C[C@H]1C[C@H](OC(=O)NC2CCCCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221862240 JI Annotated Mild CN(C1CCC1)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@H](C#N)C1 ZINC000221862664 JI Annotated Mild N#C[C@@H]1C[C@H](C(=O)NC(C2CC2)C2CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221863606 JI Annotated Mild N#C[C@H]1C[C@@H](OC(=O)Nc2ccccc2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221865483 JI Annotated Mild C[C@H](N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)(F)F)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221886618 JI Annotated Mild CN(CC1CC1)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221889631 JI Annotated Mild N#C[C@@H]1C[C@@H](NCC2CCC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221889866 JI Annotated Mild N#C[C@H]1C[C@H](OC(=O)Nc2ccccc2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221890420 JI Annotated Mild Cc1cnn(C)c1-c1ccccc1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000221912911 JI Annotated Anodyne CC(C)NC(=O)c1ccc(-c2cnn3c(NCC4CCOCC4)nc(OC4CCCC4)nc23)cc1 ZINC000221944281 JI Annotated Anodyne Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(OC4CCCC4)nc23)ccc1C(=O)NC1CC1 ZINC000221946796 JI Annotated Anodyne O=C(NC1CC1)c1ccc(-c2cnn3c(NCC4CCOCC4)nc(NC4CCCC4)nc23)cc1F ZINC000221954990 JI Annotated Anodyne N#Cc1ccc(CSc2nc(=O)c(I)c(Cc3cc(F)cc(F)c3)[nH]2)cc1 ZINC000222026297 JI Annotated Anodyne O=c1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(Cc2ccccc2)c1I ZINC000222057390 JI Annotated Anodyne N#Cc1ccc(CSc2nc(=O)c(I)c(Cc3ccccc3)[nH]2)cc1 ZINC000222057459 JI Annotated Anodyne Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NC(C)(C)CN5CCCC5)cc4c3)n2)c1 ZINC000222323187 JI Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccccc3F)[nH]c12 ZINC000222325359 JI Annotated Anodyne Cc1nc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)cs1 ZINC000222325696 JI Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3nccn3C(C)C)[nH]c12 ZINC000222326301 JI Annotated Anodyne COC1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1 ZINC000222326422 JI Annotated Anodyne Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCC(C#N)CC5)cc4c3)n2)c1 ZINC000222326657 JI Annotated Mild Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccc(F)cc3)[nH]c12 ZINC000222327377 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000222602546 JI Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3nc4ccccc4[nH]3)[nH]c12 ZINC000222676385 JI Annotated Anodyne C/C=C(\C)C(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](OC)(O3)[C@H](C)C[C@@H]2OC(=O)/C(C)=C/C)OC1=O ZINC000222910931 JI Annotated Anodyne C[C@@H]1C[C@@H](C)N1[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222974101 JI Annotated Mild C[C@H](N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000222977641 JI Annotated Mild C[C@H](N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000222977699 JI Annotated Mild CC1(C)CN([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222978362 JI Annotated Mild CC1(C)CCN1[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222978607 JI Annotated Mild CC1(C)CCN1[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222978989 JI Annotated Mild CC1(C)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222979589 JI Annotated Mild N#C[C@H]1C[C@@H](NC2(C(F)(F)F)CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000222980327 JI Annotated Mild N#C[C@H]1C[C@H](NC2(C(F)(F)F)CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000222980968 JI Annotated Mild N#C[C@H]1C[C@@H](OC(=O)Nc2ccccc2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222982500 JI Annotated Mild N#C[C@H]1C[C@H](OC(=O)Nc2ccccc2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222982575 JI Annotated Mild Fc1ccc(-c2csc3ncnc(N4C[C@@H]5C(COCCN6CC[C@@H](F)C6)[C@H]5C4)c23)cc1 ZINC000223003770 JI Annotated Anodyne NC(=O)[C@H]1CCCN(c2nc(N3[C@H]4CC[C@H]3COC4)nc3scc(-c4ccccc4Cl)c23)C1 ZINC000223010541 JI Annotated Anodyne Fc1ccc(-c2csc3ncnc(N4C[C@@H]5C(COCCN6CC[C@H](F)C6)[C@H]5C4)c23)cc1 ZINC000223011696 JI Annotated Anodyne COc1cc(OCc2csc(N3CCN(C)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223033157 JI Annotated Anodyne CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1 ZINC000223247805 JI Annotated Anodyne CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(CC3CCNCC3)c2n1 ZINC000223247870 JI Annotated Anodyne CC(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223384732 JI Annotated Anodyne CC(C)(C)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223388643 JI Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(C#Cc2ccc(O)cc2)c1 ZINC000223390564 JI Annotated Anodyne CC(C)(O)CC#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223679146 JI Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CC3(O)CCC3)csc12)Cc1ccccc1 ZINC000223683580 JI Annotated Mild CN1CCN(c2cccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)c2)CC1 ZINC000223684855 JI Annotated Anodyne CCN(CC)C(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223689984 JI Annotated Anodyne CC(C)(C)NC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223690294 JI Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cncnc3)csc12)Cc1ccccc1 ZINC000223692927 JI Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ncccn3)csc12)Cc1ccccc1 ZINC000223693181 JI Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(C#CC3(O)CCC3)csc12)Cc1ccccc1 ZINC000223693267 JI Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccncn3)csc12)Cc1ccccc1 ZINC000223693343 JI Annotated Anodyne Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1C#CC(C)(C)O ZINC000223693653 JI Annotated Mild CC[C@](C)(O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223694436 JI Annotated Mild CCC[C@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223694706 JI Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CC3(O)CCCC3)csc12)Cc1ccccc1 ZINC000223694875 JI Annotated Mild CC(C)[C@](C)(O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223695114 JI Annotated Mild O=C[C@H](Cc1cnc[nH]1)NC[C@H]1C[C@@H]2CCCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000223776103 JI Annotated Mild in-vitro CC1(C)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4cc(Cl)ccc34)nnc21 ZINC000223807485 JI Annotated Anodyne CC(C)(F)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 ZINC000224362684 JI Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(F)cc4scnc34)cc2)CC1 ZINC000224373387 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CCC(F)F)CC1 ZINC000224373442 JI Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CCC(F)F)CC1 ZINC000224373493 JI Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)c2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1 ZINC000224379206 JI Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN([C@H](C)c2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1 ZINC000224379262 JI Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(N4CCC5(CC4)OCCCO5)n3)c2F)cn1 ZINC000224546371 JI Annotated Anodyne Cn1c(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc2ccccc21 ZINC000224701727 JI Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@H](CCO)C3)cc2F)cc1F ZINC000224758854 JI Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@@H](CCO)C3)cc2F)cc1F ZINC000224758899 JI Annotated Anodyne CC(C)(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F ZINC000224796152 JI Annotated Anodyne COc1cn(-c2ccc3c(c2F)C(C)(C)C(=O)N3C2CCC2)nc(-c2ccnn2-c2ccccc2)c1=O ZINC000224838197 JI Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Br)n2)c(F)c1 ZINC000224850680 JI Annotated Anodyne O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1ccc(F)cc1 ZINC000022719127 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000022826022 JI Annotated Anodyne OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000022926640 JI Annotated Anodyne COc1ccc(Cl)cc1CN1CCN([C@@H]2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1 ZINC000022927157 JI Annotated Anodyne COc1ccc(Cl)cc1CN1CCN([C@H]2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1 ZINC000022927161 JI Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCc3ncoc3-c3ccccc3)nccc2c1 ZINC000225037981 JI Annotated Anodyne COc1ccc(OC(F)(F)F)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225039424 JI Annotated Anodyne C[C@@H](COc1ccc(Cl)cc1)Oc1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225040188 JI Annotated Anodyne NC(=O)c1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225043988 JI Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ncco3)ccc12 ZINC000225050356 JI Annotated Anodyne COc1cc(OC(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225066091 JI Annotated Anodyne NC(=O)c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000225082565 JI Annotated Anodyne COc1cc(C(F)F)c(OC)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225090992 JI Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nc(C)nc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225103590 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCC(C(F)(F)F)CC2)cc1F ZINC000225228221 JI Annotated Anodyne COCCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000225228726 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000225232331 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F ZINC000225242467 JI Annotated Anodyne CCOCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000225245826 JI Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F ZINC000225246011 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1F ZINC000225246185 JI Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CCC2(CC1)CC2 ZINC000225249196 JI Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC2[C@H]3CC4C[C@H]2CC(Cl)(C4)C3)cc1F ZINC000225257816 JI Annotated Anodyne Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-c2ncco2)c1 ZINC000225844020 JI Annotated Anodyne CC(=O)c1ccc(Cn2nc3c(c2Nc2ccc(F)cc2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 ZINC000225983704 JI Annotated Anodyne N#CC1(CNc2cc(-c3ccnc4[nH]c(C5CCNCC5)cc34)c(Cl)cn2)CCOCC1 ZINC000226058671 JI Annotated Mild NC1=N[C@@](c2cc(N[C@H]3CCc4cc(Br)cnc43)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226061009 JI Annotated Anodyne CC(C)Oc1cnc2c(Nc3cc(Cl)c(F)c([C@@]4(CF)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2n1 ZINC000226079644 JI Annotated Anodyne NC1=N[C@@](c2cc(Nc3nccc4cc(C#CC5CC5)cnc34)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226083461 JI Annotated Mild CCN(C(=O)O)S(=O)(=O)N[C@H]1CC=C(c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 ZINC000226098194 JI Annotated Anodyne CCN(C(=O)O)S(=O)(=O)N[C@@H]1CC=C(c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 ZINC000226098205 JI Annotated Anodyne O=C(c1cc(F)ccc1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000226130960 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](C)N(C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]13)CC2 ZINC000229992945 JI Annotated Anodyne O=C1NC(=O)c2c1c1c3ccc(CN4CCCNCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 ZINC000023357941 JI Annotated Bother C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000230073820 JI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000230073827 JI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000230073835 JI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000230073839 JI Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000230073873 JI Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000230073882 JI Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000230073887 JI Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000230073893 JI Annotated Anodyne in-man COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000230081122 JI Annotated Anodyne in-man COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000230081126 JI Annotated Anodyne in-man COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000230081128 JI Annotated Anodyne in-man Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)CC3CC3)cn12 ZINC000230503707 JI Annotated Anodyne Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@H](C)CC3CC3)cn12 ZINC000230503744 JI Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000230540875 JI Annotated Mild COc1ccc(CN(C)Cc2ccncc2)cc1-c1ccc(S(=O)(=O)NC2CCC2)s1 ZINC000230558594 JI Annotated Anodyne CC(C)c1sc(Cl)nc1C(=O)NCCc1nc(C(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000230561266 JI Annotated Anodyne CN(Cc1cccnc1)Cc1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nc1 ZINC000230561350 JI Annotated Anodyne Cn1c(-c2c[nH]c3cc(C#N)ccc23)nc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)[C@@H]3CO)cc21 ZINC000230585846 JI Annotated Mild in-vitro Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000231378551 JI Annotated Anodyne Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000231378580 JI Annotated Anodyne Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000231379150 JI Annotated Anodyne Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000231379179 JI Annotated Anodyne C#Cc1cccc(C2=[C]C(=O)N(C)[C@H]3C=CC([C@](O)(c4ccc(Cl)cc4)c4cncn4C)=C[C@@H]23)c1 ZINC000238730508 JI Annotated Mild investigational C#Cc1cccc(C2=[C]C(=O)N(C)[C@H]3C=CC([C@@](O)(c4ccc(Cl)cc4)c4cncn4C)=C[C@@H]23)c1 ZINC000238730509 JI Annotated Mild investigational C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000238730719 JI Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238730772 JI Annotated Mild CC1=C(CO)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC1=O ZINC000238731155 JI Annotated Anodyne CC(=O)OC/C=C(\COC(C)=O)[C@@H](C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(=O)CCC[C@H]12)OC(C)=O ZINC000238731183 JI Annotated Anodyne C=CCc1cc(OC)c(O[C@H](C)[C@H](OC(C)=O)c2cc(OC)c(OC)c(OC(C)=O)c2)c(OC)c1 ZINC000238731664 JI Annotated Mild C[C@H]1C[C@H](O)C2=C(CCC(=O)[C@]2(C)COC(=O)CCc2ccc(O)cc2)[C@]1(C)CCC1=CC(=O)OC1 ZINC000238732324 JI Annotated Anodyne CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](O)[C@@]2(O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238733120 JI Annotated Anodyne C=C[C@@H](O)[C@@H](CCOO[C@H]1CC[C@@]2(C)C(=CCC3=C4O[C@@H]5CO[C@]6(C)OC[C@@]4(CC[C@@H]32)[C@H]56)C1)OC ZINC000238733191 JI Annotated Reactive CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H]2O ZINC000238733331 JI Annotated Anodyne CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(CO)[C@](O)(CC[C@@H]4[C@]56CC[C@H](OC5)C(C)(C)[C@@H]6C=C[C@]43C)[C@@H]2C1 ZINC000238733489 JI Annotated Anodyne COC1=C(OC(C)=O)c2c(OC(C)=O)cc(C)c3c(OC(C)=O)c4c(c(c23)C1=O)O[C@H](C)C4(C)C ZINC000238733598 JI Annotated Mild CC[C@H](C)/C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(O)C[C@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1 ZINC000238733888 JI Annotated Mild Oc1cc(O)cc(C[C@]2(c3ccc(O)cc3O)Cc3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2O)c1 ZINC000238733934 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000238734108 JI Annotated Mild C[C@H](CCO)CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]21 ZINC000238734160 JI Annotated Anodyne C[C@@H]1C(=O)OC([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)=C[C@H]1C ZINC000238734268 JI Annotated Mild CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@H](C(=O)C[C@H](C)O)[C@H]3C2=CO1 ZINC000238734413 JI Annotated Mild CO/C=C(C(=O)OC)/C(C)=C/C=C/c1ccc2c(c1)OC(C)(C)[C@H](OC[C@H]1OC1(C)C)CO2 ZINC000238734542 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C1(C)C ZINC000238734854 JI Annotated Anodyne CO[C@@]1(CC2=CCC[C@]34C[C@]23C(=O)O[C@H]4c2ccoc2)C[C@H]([C@]2(C)C=CC(=O)O2)C(C)(C)O1 ZINC000238735450 JI Annotated Anodyne C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@@H]3C(C(=O)/C=C/C=C/C)=C(O)C(C)=C(O)[C@]3(C)O[C@@]2(O)[C@@](C)(O)C1 ZINC000238735571 JI Annotated Mild C=C1C[C@@H](OC(C)=O)/C=C(\C)CC[C@@H]2C([C@H](C[C@H]3OC3(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]12 ZINC000238735972 JI Annotated Mild COc1c(O)c(OC)c(OC)c([C@H]2Oc3c(OC)c(OC)c(OC)c(OC)c3C(C)=C2C)c1OC ZINC000238736299 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000238736817 JI Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3OC(=O)[C@@H](C)CC)[C@H]2C1 ZINC000238736829 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000238737525 JI Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/CC(C)(C)C(=O)CC[C@]3(C)O[C@H]3[C@@H]12 ZINC000238737831 JI Annotated Mild COC1=C[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O)[C@@]5(C)CC[C@@H]43)C2)C1=O ZINC000238738016 JI Annotated Mild CC1(C)[C@@H]2CC(=O)O[C@]2(C)c2nc3c(cc2[C@@H]1O)[C@@H]1CC(=O)O[C@@H](c2ccoc2)[C@]1(C)CC3 ZINC000238738059 JI Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)[C@@H](O)[C@@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238738071 JI Annotated Anodyne CC1=CC[C@H]([C@H](C)C2=C(C)[C@@H]3C[C@]4(O)C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@H](O)C[C@H]4[C@]3(C)C=C2)OC1=O ZINC000238738114 JI Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)[C@@H](O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238738540 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@H](OC(C)=O)n2ccc(COC(=O)/C(=C\C)COC(=O)/C(C)=C/C)c21 ZINC000238738680 JI Annotated Anodyne COC(C)(C)[C@H](C)CC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(CO)=C\C1 ZINC000238738822 JI Annotated Mild C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(C)=C\C)C[C@H]2OC(C)=O ZINC000238738845 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(C)C(=O)[C@@H]4C=C(C)[C@@]3(C[C@H]12)C[C@]41C(=O)O[C@@H]2C[C@@]3(C)C=CC(=O)C(C)=C3C[C@@H]21 ZINC000238739091 JI Annotated Mild COc1cccc(CCc2cc(O)c(-c3c(OC)cc([C@@H]4OO[C@H]4CO)cc3OC)c(OC)c2)c1 ZINC000238739296 JI Annotated Reactive CCCCCC[C@@H]1CCCCCCCCCCC(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](O)[C@@H](CO)O[C@H]2O1 ZINC000238739367 JI Annotated Anodyne CC[C@@H](C)C(=O)C1=C(O)[C@](C)(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@@H](CC[C@]3(C)O)[C@@](C)(O)C2)C1=O ZINC000238739485 JI Annotated Mild CCCCCCCC(=O)OC[C@]1(C)[C@H]2CC[C@@]3(CO3)[C@@H]3[C@@H](OC(C)=O)OC=C(COC(C)=O)[C@@H]3[C@H]21 ZINC000238739996 JI Annotated Mild CC(=O)OCC[C@@H](CC[C@@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(COC(C)=O)=CCC[C@@H]21)COC(C)=O ZINC000238740084 JI Annotated Anodyne C=C1C([C@@H](C)[C@@H]2OC(=O)C(C)=C[C@@H]2O)=CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@@]3(O)C[C@@H]12)C=CC(=O)OC4(C)C ZINC000238740183 JI Annotated Mild CC(C)[C@@]12C[C@H](OC(=O)CO)[C@@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C(Cl)=C\c1ccccc1 ZINC000238740227 JI Annotated Anodyne COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]21 ZINC000238740417 JI Annotated Anodyne C=C1O[C@@H]([C@]2(C)C=CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@@]423)C[C@]12C=CC(=O)OC2(C)C ZINC000238741106 JI Annotated Mild C/C(=C\Cn1cnc2c1c(=N)[n+](C)cn2C)CC[C@@]1(C)[C@H](C)CC[C@]2(O)[C@@H]1CCCC2(C)C ZINC000238741192 JI Annotated Anodyne C/C=C(/C)C(=O)OC/C(=C\C)C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(C)=C\C)C[C@H]2OC(C)=O ZINC000238741235 JI Annotated Anodyne CC(=O)OC[C@H](Br)[C@@]1(C)CC=C2[C@@H](C1)[C@H](O)C[C@H]1[C@@]2(C)C[C@@H](OC(C)=O)[C@@H]2C[C@@]21C ZINC000238741713 JI Annotated Reactive COc1ccc2c(=O)c3cc(OC)c4c(c3oc2c1)O[C@@H](OC)[C@H](c1ccc(O)c(OC)c1)O4 ZINC000238742981 JI Annotated Bother CCC(=O)O[C@H]1CC/C(C)=C\[C@H]2OC(=O)C(C)=C2[C@@H](OC(C)=O)[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]12C ZINC000238743502 JI Annotated Anodyne CC1=CC[C@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000238743832 JI Annotated Anodyne C=C[C@]1(C)CC[C@@H](C(C)(C)O[C@H]2OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C[C@H]1C(=C)C ZINC000238744453 JI Annotated Mild CC(=O)O[C@@H]1[C@@H](Oc2c(O)c(C)cc3c2[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@H](O)[C@H]1O ZINC000238744719 JI Annotated Anodyne CC(=O)Oc1c(C(C)C)cc(C=O)c2c1O[C@H](OC(C)=O)[C@H]1C(C)(C)C[C@H](OC(C)=O)C[C@]21C ZINC000238745012 JI Annotated Anodyne C/C(=C\C(=O)O)CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]21 ZINC000238745700 JI Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3O[C@@H]2[C@@H]2OC[C@]3(C)C=CC(=O)[C@@]1(C)[C@H]23 ZINC000238746045 JI Annotated Mild CCCCC[C@@H]1CCCCCCCCCCCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2O1 ZINC000238747035 JI Annotated Anodyne C/C=C(/C)C(=O)OC[C@]1(C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@]3(C)[C@H](OC(C)=O)C[C@H]1OC(=O)/C(C)=C\C ZINC000238747082 JI Annotated Anodyne COC1=C[C@@H](C)O[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O)[C@@]5(C)CC[C@@H]43)C2)C1=O ZINC000238747267 JI Annotated Mild CCCCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)OC(CO)CO)OC(C)=O ZINC000238747473 JI Annotated Mild CO/C=C(C(=O)OC)/C(C)=C/C=C\c1ccc2c(c1)OC(C)(C)[C@H](OC[C@H]1OC1(C)C)CO2 ZINC000238748671 JI Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccco4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)CC[C@H](O)[C@@]1(C)[C@@H]23 ZINC000238749884 JI Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(\C)[C@H]1O[C@@H](c2c(O)c([C@]3(O)CCC(=O)C[C@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000238750003 JI Annotated Anodyne COc1cc([C@@H]2c3cc(OC)c(O)cc3[C@H]3Oc4c(C(C)=O)ccc(O)c4C[C@H]3[C@@H]2CO)ccc1O ZINC000238750800 JI Annotated Anodyne CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)C/C=C(\C)C2=O ZINC000238751043 JI Annotated Mild C/C=C(/COC(=O)C=C(C)C)C(=O)OCc1ccn2c1[C@H](C(=O)/C(C)=C/C)C[C@@H]2OC(C)=O ZINC000238751504 JI Annotated Mild CC[C@@H](C)C(=O)O[C@H]1c2cc3c(c4c2[C@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3 ZINC000238751827 JI Annotated Mild COc1ccc([C@H]2C[C@@H](OC(=O)C[C@H](O)c3ccc(O)cc3)C[C@H]3CCCCN32)cc1OC ZINC000238751846 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21O ZINC000238751970 JI Annotated Anodyne C=C1[C@@H]([C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2CC(=O)OC)CC[C@]2(C)[C@H](c3ccco3)OC(=O)[C@@H]3O[C@@]132 ZINC000238752038 JI Annotated Mild C[C@@H]1CC=C2C(CO)(CO)CCC[C@]2(C)[C@H]1CC[C@H](CCO)COC(=O)/C=C/c1ccc(O)cc1 ZINC000238752146 JI Annotated Anodyne C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4c3[C@@]3(O)C(=N4)C(C)(C)[C@@H]4O[C@@H]4[C@@]1(N=C)[C@@]23O ZINC000238752259 JI Annotated Reactive C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@H]3O)[C@@H]2C1 ZINC000238752663 JI Annotated Mild CC[C@H](Br)[C@H]1C[C@H](Br)[C@H](O)C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 ZINC000238753091 JI Annotated Reactive CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)/C=C/[C@@H](C)C2=O ZINC000238753229 JI Annotated Anodyne C/C=C(\C)C(=O)[C@@H]1C[C@H](OC(C)=O)n2ccc(COC(=O)/C(=C/C)COC(=O)C=C(C)C)c21 ZINC000238754145 JI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@H]4CO4)C(COC(C)=O)=CC(=O)[C@H]32)C1(C)C ZINC000238754192 JI Annotated Mild COC(=O)[C@]1(C)[C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2c3c(ccc(C)c3C)CC[C@]21CO ZINC000238754522 JI Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)CO[C@H](Oc2c(O)c(C)cc3c2[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)[C@H]1O ZINC000238755020 JI Annotated Anodyne [C-]#[N+][C@]12[C@@H](O)[C@@H](O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C ZINC000238756021 JI Annotated Reactive CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238756594 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c4c2[C@]2(CO4)C(=CC(=O)C(OC)=C2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000238756633 JI Annotated Mild CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3cccnc3)[C@@H]1[C@@H]1O[C@@]1(C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000238757029 JI Annotated Mild O=C1C=C(/C=C/c2ccc(O)cc2)[C@H]2C(=O)[C@@H]1[C@@H](c1ccc(O)cc1)[C@@H]2c1cc(O)cc(O)c1 ZINC000238757737 JI Annotated Mild C[C@H]1C2=CC(=O)OC2=C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000238757744 JI Annotated Anodyne CCO[C@]1(c2cc(OC)c(OC)c(OC)c2)c2c(cc(OC)c(OC)c2O)[C@@H](O)[C@H](C)[C@H]1C ZINC000238757837 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C=C(C)C)C[C@H](C)[C@@H]1[C@@H](OC(C)=O)C=C(C)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238757918 JI Annotated Anodyne C[C@H]1CCCC[C@@H](C)[C@H]([C@@H](C)C(=O)c2ccc[nH]2)O[C@]23O[C@@H]1CC(=O)N2C(=O)c1cccc(O)c13 ZINC000238757919 JI Annotated Clean C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3OC)C(=O)C2=CO1 ZINC000238758381 JI Annotated Mild C/C=C(\C)C(=O)OC/C(=C\C)C(=O)OCc1ccn2c1[C@H](C(=O)/C(C)=C/C)C[C@@H]2OC(C)=O ZINC000238759162 JI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)[C@@]1(C)COC(C)=O ZINC000238759356 JI Annotated Anodyne CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC(C)=O)[C@@H]2OC3=O ZINC000238760012 JI Annotated Anodyne Cc1nc(/C=C/[C@@H]2C/C=C\CCC[C@@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000238760363 JI Annotated Anodyne CCC(=O)C[C@@]1(OC)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 ZINC000238761065 JI Annotated Clean CC[C@H](C)C(=O)C1=C(O)[C@]2(C[C@H]3[C@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C(=O)[C@@](C)(CC=C(C)C)C1=O ZINC000238761115 JI Annotated Mild COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@H](O)[C@@H](O)[C@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N13 ZINC000238761871 JI Annotated Anodyne CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)C[C@@H](C)OC(=O)[C@H]4[C@@H]3C2=CO1 ZINC000238762057 JI Annotated Mild Oc1ccc([C@H](O)[C@@H](O)c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000238762135 JI Annotated Anodyne CCCC(=O)O[C@H]1CC/C(C)=C\[C@H]2OC(=O)C(C)=C2C[C@@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@@H]1O[C@@]12C ZINC000238762197 JI Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](OC(C)=O)[C@@H]3C(C)(C)OC(=O)CC[C@]3(C)[C@H]1C2 ZINC000238762622 JI Annotated Anodyne CC(=O)/C=C1\[C@@H]2CC(COC(C)=O)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)[C@H](C)C(C)C)C[C@@H](C)[C@]13OC2=O ZINC000238762675 JI Annotated Mild CC(=O)O[C@@H]1/C=C(\C)C[C@H](O)[C@H]2[C@H](C(C)(C)OC(C)=O)CC[C@]2(C)/C=C/[C@@H](C)[C@H]1OC(C)=O ZINC000238763119 JI Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(/C=C\C=O)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O ZINC000238763209 JI Annotated Reactive CC(C)[C@@]12C[C@H](OC(=O)CO)[C@@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C(Cl)=C/c1ccccc1 ZINC000238763309 JI Annotated Anodyne CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@H](O)[C@@]2(O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238763557 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@H](OC(=O)/C=C\SC)[C@H](C)[C@@]12C ZINC000238763752 JI Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@H]3O)[C@@H]2C1 ZINC000238763812 JI Annotated Mild CCCC(=O)O[C@H]1C[C@@]23[C@@H](CC[C@H]4C(=O)O[C@@H](O[C@@H]2OC(C)=O)[C@H]43)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238764339 JI Annotated Anodyne COC(=O)/C1=C\[C@H](OC(C)=O)C/C(C)=C/C=C(/C(C)C)C[C@@H](OC(C)=O)/C(C(=O)OC)=C/CC1 ZINC000238764451 JI Annotated Anodyne CCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)O[C@@H](CO)COC(C)=O)OC(C)=O ZINC000238764827 JI Annotated Mild CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)(C)OC(C)=O)[C@H]1O[C@@H]2C/C(C)=C/CC[C@@]1(C)OC(C)=O ZINC000238765052 JI Annotated Anodyne C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C\c4ccccc4)[C@@H]3[C@H]1O)C2(C)C ZINC000238765121 JI Annotated Mild CC[C@@H](C)C(=O)O[C@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3 ZINC000238765214 JI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(C)=O)n2ccc(COC(=O)/C(=C\C)COC(=O)C=C(C)C)c21 ZINC000238765702 JI Annotated Anodyne CC1(C)C[C@@H]2[C@](C)(CC1=O)C(=O)C=C1[C@@]2(C)CC[C@H]2[C@@]1(C)C[C@H](O)[C@H]1C(C)(C)[C@@H]3CC(=O)[C@@]12[C@@H](O)O3 ZINC000238765833 JI Annotated Mild C/C=C(/C)C(=O)OC/C(=C\C)C(=O)OCc1ccn2c1[C@H](OC(=O)C=C(C)C)C[C@@H]2OC(C)=O ZINC000238766221 JI Annotated Anodyne C=CCc1cc(OC)c(O[C@@H](C)[C@@H](OC(C)=O)c2ccc(OC(C)=O)c(OC)c2)c(OC)c1 ZINC000238766230 JI Annotated Mild CC[C@@H](C)/C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@H](C(=O)C[C@H](C)O)[C@H]3C2=CO1 ZINC000238766235 JI Annotated Mild COc1cccc(CCc2cc(O)c(Oc3c(OC)cc([C@H]4O[C@@H]4CO)cc3OC)c(OC)c2)c1 ZINC000238766519 JI Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccco4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23 ZINC000238766691 JI Annotated Mild COc1cc([C@@H]2OC[C@@H]3[C@H]2c2cc(O)cc(O)c2[C@H]3c2cc(OC)c(O)c(OC)c2)ccc1O ZINC000238766718 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)C[C@@H](O)c1ccc(O)c-2c1 ZINC000238767108 JI Annotated Anodyne Cc1ccc2c(c1C)C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C)[C@]1(CO)CC2 ZINC000238768052 JI Annotated Anodyne CC(=O)OC[C@@H](C)c1cc2c(c(OC(C)=O)c1OC(C)=O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 ZINC000238768112 JI Annotated Anodyne C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000238768325 JI Annotated Mild C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@H]2O[C@@H](c1cc(O)cc(O)c1)O[C@@H]3C[C@@H]1C(C)(C)C(=O)CC[C@]14C ZINC000238768625 JI Annotated Mild C=C1C[C@@H](OC(C)=O)[C@H](C(C)(C)OC(C)=O)[C@@H]2[C@H]1[C@H]1C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000238769863 JI Annotated Mild CC(=O)O[C@H]1C/C(C)=C/[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 ZINC000238769922 JI Annotated Anodyne C[C@H](CCO)CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@H](O)[C@@]2(C)C(C=O)=CCC[C@@H]21 ZINC000238770059 JI Annotated Reactive CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)/C=C/[C@@H](C)[C@H]2O ZINC000238770121 JI Annotated Anodyne CCO[C@@]1(c2cc(OC)c(OC)c(OC)c2)c2c(cc(OC)c(OC)c2O)[C@@H](O)[C@@H](C)[C@H]1C ZINC000238770593 JI Annotated Anodyne CCCCCC[C@@H]1CCCCCCCCCCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2O1 ZINC000238770683 JI Annotated Anodyne C=C1[C@H](OC(C)=O)[C@@H](OC(=O)CCc2ccc(O)c(OC)c2)/C=C(\C)CC[C@H]2[C@@H]([C@@H]1O)C2(C)C ZINC000238770958 JI Annotated Mild CC(=O)O[C@@H]1[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)OC[C@@H](O)[C@H]1O ZINC000238771230 JI Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c([C@@]2(O)CC[C@H](O)CC2)cn(O)c1=O ZINC000238771628 JI Annotated Mild CCC(=O)O[C@@H]1CC/C(C)=C\[C@H]2OC(=O)C(C)=C2[C@@H](OC(C)=O)[C@@H]2C(C)=CC[C@@H](OC(C)=O)[C@@]12C ZINC000238771986 JI Annotated Anodyne C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@](C)(O)[C@@H]24)[C@@H](C)CO[C@@]3(C)[C@@](O)(C(=O)CCCCCCC)CC1=O ZINC000238772435 JI Annotated Mild COC(=O)[C@@H](OC(C)=O)[C@@H](C(C)C)[C@]1(C)CC[C@@]2(C)CC[C@@H](OC(C)=O)c3coc(c32)C1=O ZINC000238773302 JI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1C(COC(C)=O)=CC[C@H]2[C@@]1(C)CCC(=O)[C@@]2(C)COC(C)=O ZINC000238773546 JI Annotated Anodyne CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)C/C=C(/C)C2=O ZINC000238773768 JI Annotated Mild C[C@@H]1C(=O)C2=C(C[C@H]3OC(=O)[C@@]24CC[C@@H](OC(=O)c2ccc(O)cc2)[C@H](C)[C@H]34)[C@H]1c1ccoc1 ZINC000238774451 JI Annotated Mild C=C1CCC(=O)C(C)(C)C/C=C(\C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@@H]1O ZINC000238774465 JI Annotated Mild COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)C[C@H](O)c1ccc(O)c-2c1 ZINC000238774910 JI Annotated Anodyne C[C@@H]1C(=O)CC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)C[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000238775393 JI Annotated Anodyne C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)C=C(C)C)[C@@H](OC(=O)C=C(C)C)C1 ZINC000238775444 JI Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238775819 JI Annotated Mild C[C@@H]1CC2=C([C@@H]1O)[C@H](O)[C@@]1(C)CC[C@@H]3[C@H]([C@H](OC(=O)/C=C/c4ccccc4)[C@@]1(C)C2=O)C3(C)C ZINC000238776519 JI Annotated Mild C[C@@H]1CC[C@](CO)(C(=O)O)[C@H]2[C@H]1[C@@]13CC[C@@](C)(C1)C(=O)C[C@@H]3C[C@H]2OC(=O)c1ccccc1 ZINC000238776587 JI Annotated Anodyne CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@@H]1C(C)(C)OC(C)=O)[C@H]1O[C@@H]2C/C(C)=C/CC[C@@]1(C)OC(C)=O ZINC000238776695 JI Annotated Anodyne COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)c4c(O)cc(O)cc4[C@H]23)ccc1O ZINC000238776756 JI Annotated Anodyne C/C=C(/C)C(=O)OC[C@]1(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)[C@H](OC(=O)/C(C)=C\C)C[C@H]1OC(C)=O ZINC000238776910 JI Annotated Mild C/C=C(/C)C(=O)OC/C(=C\C)C(=O)OCc1ccn2c1[C@H](OC(=O)/C(C)=C/C)C[C@@H]2OC(C)=O ZINC000238777129 JI Annotated Anodyne Oc1cc(Oc2c(O)cc(O)cc2Oc2c(O)cc(O)cc2O)cc(-c2c(O)cc(O)cc2O)c1 ZINC000238777159 JI Annotated Anodyne CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)O)=C\c1coc(C)n1 ZINC000238777160 JI Annotated Anodyne CCCC(=O)O[C@H]1CC/C(C)=C\[C@H]2OC(=O)C(C)=C2C[C@@H]2[C@]3(C)O[C@@H]3C[C@@H](OC(C)=O)[C@@]12C ZINC000238777349 JI Annotated Anodyne CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@@]2(C)CC[C@H]1[C@]12COC(=O)C[C@H]1OC(C)(C)[C@@H]2CC(=O)O ZINC000238777537 JI Annotated Anodyne CCOC[C@H]1C(=O)[C@H](O)[C@@H](/C(C)=C/C=C/[C@@H](C)/C=C/CC(C)C)[C@@H](OC(C)=O)[C@@H]1OCC ZINC000238777548 JI Annotated Anodyne CC(=O)O[C@H]1CO[C@H](Oc2c(O)c(C)cc3c2[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)[C@@H](O)[C@@H]1O ZINC000238777903 JI Annotated Anodyne CCCCCCCCCCC[C@H](CCC[C@H](CC(=O)OC(CO)CO)OC(C)=O)OC(C)=O ZINC000238778195 JI Annotated Mild CCCC(=O)O[C@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3 ZINC000238778344 JI Annotated Mild C[C@H]1CC2=C([C@H]1O)[C@@H](O)[C@]1(C)CC[C@H]3[C@@H]([C@@H](OC(=O)/C=C/c4ccccc4)[C@]1(C)C2=O)C3(C)C ZINC000238778790 JI Annotated Mild COc1ccc([C@H]2C[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)C[C@@H]3CCCCN32)cc1O ZINC000238778974 JI Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O ZINC000238779050 JI Annotated Anodyne COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(=O)c5ccccc5)[C@@H]4CC1)[C@H]32 ZINC000238779079 JI Annotated Anodyne CC(=O)/C=C(O)/C(=C\c1ccc(O)c(O)c1)C1=C(O)C=C(/C=C/c2ccc(O)c(O)c2)CC1=O ZINC000238779213 JI Annotated Mild CC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)C[C@H](O)C[C@]12C ZINC000238779423 JI Annotated Anodyne C/C=C(/C)C(=O)OC[C@]1(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)[C@H](OC(=O)C=C(C)C)C[C@H]1OC(C)=O ZINC000238779573 JI Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc([C@@H](O)[C@H](O)c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238779738 JI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)C[C@H](C)[C@]1(C)O)OCO3 ZINC000238779786 JI Annotated Anodyne C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)[C@H](C)CC)[C@@H](OC(=O)C=C(C)C)C1 ZINC000238779964 JI Annotated Mild COc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000238780004 JI Annotated Clean COc1ccc([C@@H]2C[C@@H](OC(=O)/C=C\c3ccc(O)c(OC)c3)C[C@@H]3CCCCN32)cc1O ZINC000238780010 JI Annotated Anodyne COc1cc(/C=C\C(=O)O[C@@H]2C[C@@H]3[C@H](OC(C)=O)[C@@H](C)C[C@@]45[C@@H]2CCCN4CCC[C@H]35)ccc1O ZINC000238780093 JI Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000238780157 JI Annotated Anodyne CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C(Cl)=C/c1ccccc1 ZINC000238780205 JI Annotated Anodyne C=C1CCC(=O)C(C)(C)C/C=C(\C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)/C(C)=C/C)[C@@H]2[C@@H]1O ZINC000238780670 JI Annotated Mild CC(=O)O[C@H]1/C=C/C(=O)O[C@H](C)CCCCCCCCCC[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238781102 JI Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C\c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000238781159 JI Annotated Mild CC(=O)OC/C=C(\CC[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@H](C)C(=O)[C@H](OC(C)=O)C[C@H]12)COC(C)=O ZINC000238781343 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@H](OC(=O)/C=C\SC)[C@H](C)[C@@]12C ZINC000238781430 JI Annotated Anodyne CO/C=C(C(=O)OC)\C(=C/C=C/c1ccc(OCC=C(C)C)c(OC[C@@H]2OC2(C)C)c1)CO ZINC000238782087 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C ZINC000238783889 JI Annotated Mild Oc1cc(O)cc(Oc2cc(O)cc(Oc3c(O)cc(O)c(-c4c(O)cc(O)cc4O)c3O)c2)c1 ZINC000238783976 JI Annotated Anodyne CC(=O)O[C@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21O ZINC000238784327 JI Annotated Anodyne COc1cc(-c2c3n(c4c(=O)oc5cc(O)c(O)cc5c24)CCc2cc(O)c(OC)cc2-3)ccc1O ZINC000238784609 JI Annotated Clean CC(=O)O[C@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)(C)OC(C)=O)[C@H]1O[C@@H]2C/C(C)=C/CC[C@@]1(C)OC(C)=O ZINC000238785651 JI Annotated Anodyne CC(=O)O[C@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)(C)OC(C)=O)[C@H]1O[C@@H]2C/C(C)=C\CC[C@@]1(C)OC(C)=O ZINC000238785653 JI Annotated Anodyne CC(=O)O[C@H]1c2c(cc3occc3c2C)[C@@]2(C)[C@@H](OC(C)=O)CCC(C)(C)[C@]2(O)[C@H]1OC(C)=O ZINC000238785787 JI Annotated Anodyne CCOC[C@H]1C(=O)[C@H](O)[C@@H](/C(C)=C\C=C/[C@@H](C)/C=C\CC(C)C)[C@@H](OC(C)=O)[C@@H]1OCC ZINC000238785851 JI Annotated Anodyne CCOC[C@H]1C(=O)[C@H](O)[C@@H](/C(C)=C/C=C\[C@@H](C)/C=C\CC(C)C)[C@@H](OC(C)=O)[C@@H]1OCC ZINC000238785854 JI Annotated Anodyne CCOC[C@H]1C(=O)[C@H](O)[C@@H](/C(C)=C\C=C\[C@@H](C)/C=C\CC(C)C)[C@@H](OC(C)=O)[C@@H]1OCC ZINC000238785856 JI Annotated Anodyne CCOC[C@H]1C(=O)[C@H](O)[C@@H](/C(C)=C/C=C/[C@@H](C)/C=C\CC(C)C)[C@@H](OC(C)=O)[C@@H]1OCC ZINC000238785859 JI Annotated Anodyne CC(C)=CCc1c(O)ccc2c(C[C@@H]3NC(=O)C4=C(NC3=O)C(=O)CC[C@@H]4CC=C(C)C)c[nH]c12 ZINC000238785867 JI Annotated Mild CC[C@@H](C)C(=O)C1=C(O)[C@](C)(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@@](C)(O)C2)C1=O ZINC000238786096 JI Annotated Mild C=C1[C@H]2CC(=O)[C@@H]([C@@H](C)OC(C)=O)[C@@H]2[C@@H](C(C)C)[C@H](OC(=O)CC)[C@@H]1OC(=O)/C=C(\C)CC ZINC000238786258 JI Annotated Mild CC(C)[C@@H](C)C(=O)[C@H]1CC[C@@H]([C@@]2(C)CCC3=C(C2=O)[C@H](O)[C@@H]2O[C@@]24C[C@@H](O)CC[C@@]34C)[C@@H]1C ZINC000238786527 JI Annotated Mild CC(=O)/C=C\[C@H]1C(C)(C)CCC[C@]1(C)/C=C1\O[C@@H]2C=C(C)C(=O)C[C@@H]2[C@@]2(COC(C)=O)O[C@@H]12 ZINC000238786887 JI Annotated Mild CC(=O)/C=C/[C@H]1C(C)(C)CCC[C@]1(C)/C=C1\O[C@@H]2C=C(C)C(=O)C[C@@H]2[C@@]2(COC(C)=O)O[C@@H]12 ZINC000238786889 JI Annotated Mild C/C(=C\Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O)CC/C=C(\C)CCC[C@H](C)C(=O)O ZINC000238787267 JI Annotated Clean CC/C(Br)=C\CC[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O ZINC000238787300 JI Annotated Reactive CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2Cc3c(cc(O)c(-c4ccoc4)c3C)[C@]12C ZINC000238787490 JI Annotated Mild C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C\c1ccccc1)C2(C)C ZINC000238787737 JI Annotated Mild C[C@@H](CCC[C@@H](C)CCC[C@H](CCCC(C)(C)O)COS(=O)(=O)O)CCOS(=O)(=O)O ZINC000238788320 JI Annotated Anodyne CC1=C2[C@H](O)C[C@]3(C)[C@H]([C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@]53C)[C@@]2(C)C=C(O)C1=O ZINC000238788787 JI Annotated Mild COc1cccc2c1C(=O)c1c(O)cc(C)c(-c3c(OC)cc(OC)c(C(C)=O)c3O)c1C2=O ZINC000238789052 JI Annotated Clean C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@H](OC(C)(C)[C@@H]2CC[C@H](C)C3=C(C2)[C@@H](C)CC3)[C@H]1O ZINC000238789072 JI Annotated Anodyne CC[C@H](C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NC[C@H]2CCCO2)C1=O ZINC000248156185 JI Annotated Anodyne CC[C@H](C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NC[C@H]2CCCO2)C1=O ZINC000248156187 JI Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1 ZINC000002602316 JI Annotated Anodyne O=c1/c(=C\c2cn(-c3ccccc3)nc2-c2ccco2)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000002702480 JI Annotated Anodyne COc1ccc(CC(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1OC ZINC000002724651 JI Annotated Anodyne COc1ccc(CC(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)cc1OC ZINC000002724652 JI Annotated Anodyne O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 ZINC000002871820 JI Annotated Anodyne O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2)NCCC1=CCCCC1 ZINC000002909087 JI Annotated Anodyne COc1cc(NC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc(OC)c1OC ZINC000002911156 JI Annotated Anodyne COc1cc(OC)c([C@@H]2C[C@@H](c3ccc(I)cc3)Nc3ncnn32)cc1OC ZINC000002916569 JI Annotated Anodyne COc1cc(OC)c([C@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1OC ZINC000002916571 JI Annotated Anodyne COc1cc(OC)c([C@@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1OC ZINC000002916572 JI Annotated Anodyne COc1ccc([C@@H]2C[C@@H](c3ccc(I)cc3)Nc3ncnn32)c(OC)c1OC ZINC000002918738 JI Annotated Anodyne COc1ccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)c(OC)c1OC ZINC000002918740 JI Annotated Anodyne COc1ccc([C@@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)c(OC)c1OC ZINC000002918742 JI Annotated Anodyne C/C(O)=N\c1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c3c2C)c1 ZINC000002922410 JI Annotated Mild C/C(O)=N\c1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2C)c1 ZINC000002922412 JI Annotated Mild Cc1nc(N2CCCCC2)c2c(C)c(C(=O)N3CCN(c4ccccc4F)CC3)sc2n1 ZINC000002924094 JI Annotated Anodyne O=C(CCC(=O)N1CCCC1)Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 ZINC000002956337 JI Annotated Anodyne O=C(CSC1=Nc2ccccc2C2=N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N12)c1ccc(O)c(O)c1 ZINC000002964246 JI Annotated Anodyne O=C(CSC1=Nc2ccccc2C2=N[C@H](Cc3c[nH]c4ccccc34)C(=O)N12)c1ccc(O)c(O)c1 ZINC000002964248 JI Annotated Anodyne CC[C@@H](C)NC(=O)CSc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12 ZINC000002969317 JI Annotated Anodyne CC[C@H](C)NC(=O)CSc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12 ZINC000002969319 JI Annotated Anodyne O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCN(C2CCCCC2)CC1 ZINC000002975984 JI Annotated Anodyne C[C@@H]1c2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C[C@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187891 JI Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@H]21 ZINC000025187897 JI Annotated Anodyne C[C@@H]1c2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187902 JI Annotated Anodyne C[C@@H]1c2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187908 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)(C)C)[C@H]4C(=O)NC2CCCCC2)cc1 ZINC000250574752 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 ZINC000250575048 JI Annotated Anodyne C=C1CCC[C@]2(C)CC[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3OC(=O)/C(C)=C\C)C[C@@H]12 ZINC000253390619 JI Annotated Mild C=C1CCC[C@]2(C)CC[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3OC(=O)/C(C)=C\C)C[C@H]12 ZINC000253390621 JI Annotated Mild C=C1CCC[C@]2(C)CC[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3OC(=O)/C(C)=C\C)C[C@H]12 ZINC000253390623 JI Annotated Mild C=C1CCC[C@]2(C)CC[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3OC(=O)/C(C)=C\C)C[C@@H]12 ZINC000253390624 JI Annotated Mild CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000253482764 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000253482765 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000253482766 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000253482767 JI Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483379 JI Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483380 JI Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483381 JI Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483382 JI Annotated Anodyne CCOc1cc2nc(=S)n(Cc3ccc(C(=O)NCCCOC)cc3)c(O)c2cc1OCC ZINC000253496703 JI Annotated Anodyne CCOc1cc2nc(=S)n(CCC(=O)N3CCc4ccccc4C3)c(O)c2cc1OCC ZINC000253497280 JI Annotated Anodyne CCOc1cc2nc(=S)n(Cc3ccc(C(=O)NCCN(CC)CC)cc3)c(O)c2cc1OCC ZINC000253497291 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@@]2(C)[C@@H]3CCC[C@]4(CO4)[C@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000253633230 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@@]2(C)[C@@H]3CCC[C@@]4(CO4)[C@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000253633232 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000253633234 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@]32CO2)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000253633237 JI Annotated Anodyne O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN([C@@H]1C[C@H]3CC[C@H]1C3)C2=O)c1ccccc1 ZINC000253634483 JI Annotated Anodyne O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN([C@H]1C[C@H]3CC[C@H]1C3)C2=O)c1ccccc1 ZINC000253634484 JI Annotated Anodyne CCCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]12 ZINC000253637198 JI Annotated Mild CCCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253637202 JI Annotated Mild CCCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000253637205 JI Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CN=[N+]=[N-])O[C@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21 ZINC000253637856 JI Annotated Clean CC(=O)O[C@@H]1[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)O[C@@H](CN=[N+]=[N-])[C@H]1OC(C)=O ZINC000253637860 JI Annotated Clean OC[C@@H]1C[C@@]2(c3ccccc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000253638768 JI Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000253638900 JI Annotated Anodyne O=C(O)[C@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000253638901 JI Annotated Anodyne OC[C@H]1C[C@@]2(c3ccccc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000253639114 JI Annotated Anodyne CC[C@H](C1=C(O)O[C@H]2CCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253642329 JI Annotated Mild CC[C@H](C1=C(O)O[C@@H]2CCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253642332 JI Annotated Mild COc1cccc([C@H]2N[C@H](c3cccc(OC)c3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)c1 ZINC000253650565 JI Annotated Mild C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)c5ccc6c(c5)OCO6)sc4C[C@@]3(C)CC[C@H]12 ZINC000253654669 JI Annotated Anodyne C[C@@H]1c2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000253654670 JI Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@H](C)[C@@H]21 ZINC000253654671 JI Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]21 ZINC000253654672 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C ZINC000253654677 JI Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C ZINC000253654678 JI Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000253654679 JI Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000253654680 JI Annotated Mild CN(C)[C@]12C[C@H](OC(=O)CCN3CCC(O)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000253664584 JI Annotated Anodyne C[C@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000253664832 JI Annotated Anodyne CN1CCN(CC(=O)O[C@H]2C[C@@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000253666805 JI Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2C[C@@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000253666811 JI Annotated Anodyne CN(C)[C@]12C[C@H](OC(=O)CN3CCC(O)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000253666894 JI Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](CC3(C(N)=O)CC3)CC2)cc1)C(F)(F)F ZINC000253669662 JI Annotated Anodyne CO[C@H]1[C@@H]2S[C@@H]2[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)O[C@@H]1C ZINC000253671798 JI Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676505 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676510 JI Annotated Anodyne O=C(Cc1cccc2ccccc12)Nc1cn([C@H]2C[C@@H](NC(=O)c3cccc(Cl)n3)C2)cn1 ZINC000253676627 JI Annotated Anodyne C[C@H]1CCCN(Cc2cc(CN3CCC[C@@H](C)C3)cc(CN3CCC[C@@H](C)C3)c(=O)c2O)C1 ZINC000253679342 JI Annotated Anodyne C[N@+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000253684830 JI Annotated Mild C[N@@+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000253684832 JI Annotated Mild C[N@+]1(CCOCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000253684872 JI Annotated Bother C[N@@+]1(CCOCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000253684876 JI Annotated Bother C[N@+]1(CCOCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000253684879 JI Annotated Bother C[N@@+]1(CCOCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000253684885 JI Annotated Bother C[N@+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000253686567 JI Annotated Mild C[N@@+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000253686574 JI Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]12 ZINC000253687058 JI Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253687065 JI Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000253687071 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4O[C@H](C)O[C@@H]4[C@@H](C)O2)[C@]13C(=O)O ZINC000253694606 JI Annotated Mild CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000253731843 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCSCC2)[C@H]1c1ccccc1 ZINC000253779007 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCSCC2)[C@@H]1c1ccccc1 ZINC000253779010 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCSCC2)[C@H]1c1ccccc1 ZINC000253779014 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)Cn2nnc3ccccc32)[C@H]1c1ccccc1 ZINC000253783269 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)Cn2nnc3ccccc32)[C@H]1c1ccccc1 ZINC000253783278 JI Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@@H]3[C@H](C)CO[C@]3(C)O5)C[C@@H]3[C@H](C)CO[C@@]3(C)O4)C[C@@H]12 ZINC000253804850 JI Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@@H]3[C@H](C)CO[C@]3(C)O5)C[C@@H]3[C@H](C)CO[C@]3(C)O4)C[C@H]12 ZINC000253804858 JI Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3c4c(c5c(c3C[C@@H]12)O[C@@]1(C)OC[C@@H](C)[C@H]1C5)O[C@@]1(C)OC[C@@H](C)[C@H]1C4 ZINC000253804862 JI Annotated Anodyne C[C@@H]1CO[C@@]2(C)Oc3c4c(c5c(c3C[C@H]12)O[C@@]1(C)OC[C@@H](C)[C@H]1C5)O[C@@]1(C)OC[C@@H](C)[C@H]1C4 ZINC000253804868 JI Annotated Anodyne Cn1ccc2ccc3c4[nH]c5c(CCN[C@@H]6CC[C@@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000253809462 JI Annotated Bother CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253837415 JI Annotated Anodyne C[C@@H]1O[C@H](SCCCc2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000253852675 JI Annotated Anodyne C[C@@H]1O[C@H](SCCCc2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000253852677 JI Annotated Anodyne C[C@@H]1O[C@H](SCCCc2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)[C@H](O)[C@H](O)[C@H]1O ZINC000253852680 JI Annotated Anodyne C[C@@H]1O[C@H](SCCCc2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253852683 JI Annotated Anodyne Cc1ccc(C)c(NC(=S)N=Nc2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000253916490 JI Annotated Clean COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000253920637 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000253920640 JI Annotated Anodyne Nc1nc(-c2ccc(Cl)cc2)c(N=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000253928527 JI Annotated Clean CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)N=Nc1c(O)[nH]c2cc(Br)ccc12 ZINC000253928528 JI Annotated Clean O=C(N[C@@H]1CCc2ccccc21)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000253947038 JI Annotated Bother Cc1cc(C)cc(NC(=S)N=Nc2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000253947125 JI Annotated Clean CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2)N(C(C)=O)[C@H]1c1ccccc1 ZINC000253947751 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2)N(C(C)=O)[C@@H]1c1ccccc1 ZINC000253947754 JI Annotated Anodyne CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000253947810 JI Annotated Clean CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000253951212 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000253951215 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2cccc(F)c2)N[C@H]1c1cccc(F)c1 ZINC000253953050 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2cccc(F)c2)N[C@@H]1c1cccc(F)c1 ZINC000253953055 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@H]3N2C)cc1 ZINC000253961103 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@H]3N2C)cc1 ZINC000253961107 JI Annotated Anodyne NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000253977456 JI Annotated Bother NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000253977458 JI Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000253977462 JI Annotated Bother CC(=NOCc1nc2ccccc2c(=O)n1N=Cc1cc(C)cc([N+](=O)[O-])c1O)c1ccccc1 ZINC000253977829 JI Annotated Mild Cc1cccc2cc(CN(C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(O)nc12 ZINC000253986931 JI Annotated Anodyne Cc1cccc(C)c1N=C(S)N=Nc1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000253994857 JI Annotated Mild CC(C)=CCC/C(C)=C/CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000254010698 JI Annotated Mild CC(C)=CCC/C(C)=C\CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000254010707 JI Annotated Mild CC(C)=CCC/C(C)=C/CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000254011621 JI Annotated Mild CC(C)=CCC/C(C)=C\CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000254011636 JI Annotated Mild COC(=O)C1=C(C)[C@H](O)[C@H](C)[C@](C)(c2cc(OC)c(C)c(OC)c2COc2ccccc2)O1 ZINC000254014711 JI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@H](C(C(C)=O)C(C)=O)[C@H]2C(C)=O)C1 ZINC000254025914 JI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@]2(C)[C@@H]3C[C@H](C(C(C)=O)C(C)=O)[C@H]2C(C)=O)C1 ZINC000254025920 JI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@@H](C(C(C)=O)C(C)=O)[C@H]2C(C)=O)C1 ZINC000254025924 JI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@]2(C)[C@@H]3C[C@@H](C(C(C)=O)C(C)=O)[C@H]2C(C)=O)C1 ZINC000254025929 JI Annotated Anodyne COC(=O)c1ccccc1C[C@]1(C(=O)OC)C=C[C@H](C)[C@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000254045139 JI Annotated Anodyne COC(=O)c1ccccc1C[C@]1(C(=O)OC)C=C[C@@H](C)[C@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000254045148 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@H]3N2Cc2ccccc2)cc1 ZINC000254045260 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@H]3N2Cc2ccccc2)cc1 ZINC000254045268 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@H]3N2c2ccccc2)cc1 ZINC000254046120 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@H]3N2c2ccccc2)cc1 ZINC000254046132 JI Annotated Anodyne O=C([C@@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@H]2CCCC[C@H]21 ZINC000254046373 JI Annotated Reactive O=C([C@@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@@H]2CCCC[C@H]21 ZINC000254046382 JI Annotated Reactive O=C([C@@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000254046389 JI Annotated Reactive O=C([C@@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@H]2CCCC[C@@H]21 ZINC000254046397 JI Annotated Reactive CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@H]1c1ccc2ccccc2c1 ZINC000254046599 JI Annotated Anodyne O=C1C[C@H]([C@](O)(C(F)(F)F)C(F)(F)Cl)CC[C@@H]1[C@](O)(C(F)(F)F)C(F)(F)Cl ZINC000254073862 JI Annotated Mild O=C1C[C@H]([C@](O)(C(F)(F)F)C(F)(F)Cl)CC[C@@H]1[C@@](O)(C(F)(F)F)C(F)(F)Cl ZINC000254073864 JI Annotated Mild O=C(c1ccncc1)[C@@H]1C(=O)c2ccccc2[C@@H]1[C@]1(O)c2ccccc2C[C@@H]1[C@H](O)c1ccncc1 ZINC000254074770 JI Annotated Anodyne O=C(c1ccncc1)[C@@H]1C(=O)c2ccccc2[C@@H]1[C@]1(O)c2ccccc2C[C@H]1[C@@H](O)c1ccncc1 ZINC000254074771 JI Annotated Anodyne O=C(c1ccncc1)[C@@H]1C(=O)c2ccccc2[C@@H]1[C@]1(O)c2ccccc2C[C@@H]1[C@@H](O)c1ccncc1 ZINC000254075165 JI Annotated Anodyne O=C(c1ccncc1)[C@@H]1C(=O)c2ccccc2[C@@H]1[C@]1(O)c2ccccc2C[C@H]1[C@H](O)c1ccncc1 ZINC000254075168 JI Annotated Anodyne CN(C)C(=O)O[C@H]1C(=O)N(C)c2ccc(Cl)cc2[C@]2(c3ccccc3)N1C2(Cl)Cl ZINC000254076728 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@H]1c1ccccc1 ZINC000254102376 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@H]1c1ccccc1 ZINC000254102382 JI Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](CCON=C[C@H](C)[C@@H](OCc2ccccc2)C(C)C)C=C[C@H]1OC(C)=O ZINC000254103364 JI Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCON=C[C@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000254103367 JI Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCON=C[C@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@H]1OC(C)=O ZINC000254103370 JI Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCON=C[C@H](C)[C@@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000254103373 JI Annotated Mild O=C(OC[C@H](O)[C@H](O)[C@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1 ZINC000254129557 JI Annotated Anodyne O=C(OC[C@H](O)[C@@H](O)[C@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1 ZINC000254129560 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@H]1c1ccccc1 ZINC000254129653 JI Annotated Anodyne CN1CCN(CCCN2CC[C@]3(N(C)C)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000254133011 JI Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NCCc3ccccc3)nc(Br)c3cccnc23)CC1 ZINC000254133840 JI Annotated Anodyne CN(C)c1ccc(CNC(=O)c2nc(Br)c3cccnc3c2N[C@@H]2CC[C@@H](N)CC2)cc1 ZINC000254134076 JI Annotated Clean CC(=O)O[C@H]1CC[C@]2(CO)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(O)=C(C)C(=O)[C@@]32C(=O)O)C1(C)C ZINC000254134205 JI Annotated Mild CC(=O)O[C@H]1CC[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(O)=C(C)C(=O)[C@@]32C(=O)O)C1(C)C ZINC000254134207 JI Annotated Mild N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3cccs3)nc(Br)c3cccnc23)CC1 ZINC000254134698 JI Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@]13CN(C)CCC3=O)C(=O)N2 ZINC000254134761 JI Annotated Anodyne COc1ccc(CNC(=O)c2nc(Br)c3cccnc3c2N[C@@H]2CC[C@@H](N)CC2)cc1 ZINC000254135197 JI Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccccc3)nc(Br)c3cccnc23)CC1 ZINC000254135237 JI Annotated Anodyne CCOC(=O)/C=C(/OCC)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1/C(=C\C(=O)OCC)OCC ZINC000254140596 JI Annotated Anodyne CCOC(=O)/C=C(/OCC)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1/C(=C\C(=O)OCC)OCC ZINC000254140600 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CC(C)C[C@H]2C3=O)cc(OC)c1OC ZINC000254153261 JI Annotated Anodyne COc1cc([C@H]2N[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C[C@H](C)C[C@H]2C3=O)cc(OC)c1OC ZINC000254153262 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@H](O)[C@@H]1O ZINC000254156421 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@@H](O)[C@@H]1O ZINC000254156424 JI Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@@H](OC(C)=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000254194003 JI Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(C)=O)C3=C3OC(=O)C=C1[C@H]32 ZINC000254194004 JI Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@@H](OC(C)=O)C3=C3OC(=O)C=C1[C@H]32 ZINC000254194005 JI Annotated Anodyne CC(=O)O[C@@H]1O[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]1CC2(OCc1ccccc1)OCc1ccccc1 ZINC000254216575 JI Annotated Anodyne CC(=O)O[C@H]1O[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]1CC2(OCc1ccccc1)OCc1ccccc1 ZINC000254216576 JI Annotated Anodyne CC(=O)O[C@H]1O[C@H]2[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC2(OCc1ccccc1)OCc1ccccc1 ZINC000254216577 JI Annotated Anodyne O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000254392328 JI Annotated Mild COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=Nc2cccc(F)c2)c(OC)c1 ZINC000254400194 JI Annotated Anodyne CN(C)c1ccc(C=NN2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254403788 JI Annotated Mild aggregator CN(C)c1ccc(C=NN2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254403791 JI Annotated Mild aggregator O=[N+]([O-])c1ccc(Nc2nc(NCc3ccccc3)nc(NN=Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000254698358 JI Annotated Mild C=CCn1c(=NC(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21 ZINC000254744476 JI Annotated Mild Cc1ccc(NC(=O)C(C#N)=c2sc(=C/C=C/c3ccccc3)c(=O)n2-c2ccccc2)cc1C ZINC000254822493 JI Annotated Mild aggregator Brc1csc(C=Nc2ccc3c(c2)OCCOCCOCCOCCO3)c1 ZINC000254826062 JI Annotated Mild Fc1ccccc1COc1ccccc1C=NNc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000254870863 JI Annotated Mild aggregator CCCc1ccc(S(=O)(=O)N[C@@H](CC#Cc2ccc(NC)cc2)C(=O)N(C)C2CCCC2)cc1 ZINC000025972773 JI Annotated Mild CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C(=O)N(C)C2CCCC2)cc1 ZINC000025973311 JI Annotated Mild COC(=O)C(C)(C)CCCOc1cc(OC)c(OCCCC(C)(C)C(=O)OC)cc1OC ZINC000025975695 JI Annotated Anodyne COC(=O)C(C)(C)CCCOc1cccc(OCCCC(C)(C)C(=O)OC)c1NC(C)=O ZINC000025977538 JI Annotated Anodyne COC(=O)c1c(OCCCC(C)(C)C(=O)OC)cccc1OCCCC(C)(C)C(=O)OC ZINC000025979092 JI Annotated Anodyne COC(=O)c1ccc(OCCCC(C)(C)C(=O)OC)cc1OCCCC(C)(C)C(=O)OC ZINC000025980622 JI Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025981712 JI Annotated Mild N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025981720 JI Annotated Mild O=S(=O)(N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1)C(F)(F)F ZINC000025982406 JI Annotated Anodyne O=S(=O)(N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1)C(F)(F)F ZINC000025982414 JI Annotated Anodyne O=S(=O)(c1ccc(O)cc1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1 ZINC000025983500 JI Annotated Anodyne O=S(=O)(c1ccc(O)cc1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025983510 JI Annotated Anodyne CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4I)oc23)CC1 ZINC000025989404 JI Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@@](CO)(C(=O)O)CCC[C@@]13C ZINC000025991446 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)[C@@H]1OC(C)=O ZINC000255195871 JI Annotated Anodyne CC1=C(O)C(=O)C[C@@]2(C)[C@H]1[C@H](O)C[C@]1(C)[C@@H]2[C@@H]2O[C@@H]2[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000255196925 JI Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@H]3[C@](O)(C(C)(C)O)C[C@@H](O)[C@]3(C)CC[C@]21C ZINC000255197333 JI Annotated Anodyne CC1(C)OC(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@@H]5C[C@@H]6C[C@H]5OC(=O)[C@]6(C)O)CC[C@@]2(C)[C@@H]4[C@@H](O)C[C@@H]13 ZINC000255197538 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255197658 JI Annotated Mild CC1=C(C)C(=O)O[C@H]([C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]32C)C1 ZINC000255197659 JI Annotated Mild C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@@H]1C(=CC(=O)[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255197678 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CCC3=C4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255197708 JI Annotated Mild C/C=C\[C@H]1C=C[C@@H]2[C@H]3[C@H]1C(=O)[C@@H]1C[C@](O)(Cc4ccc(cc4)O[C@H]3[C@@H]3CC[C@@H](C)C[C@@H]23)NC1=O ZINC000255197993 JI Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@H](C)C(=O)[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000255200142 JI Annotated Anodyne CC1(C)[C@H]2CC[C@H](O)[C@H]3CC[C@@]4(O[C@@H]([C@@H]5[C@@H]6[C@H](CC[C@]7(C)OC(=O)CC[C@@H]57)C6(C)C)O[C@@H]4O)[C@H]3[C@H]21 ZINC000255201806 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CCC3=C4CC=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255201909 JI Annotated Mild C=C1[C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H]2O[C@H]2[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000255201999 JI Annotated Mild CC(C)(O)[C@@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255204861 JI Annotated Anodyne CC(C)[C@@H]1CN([C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]5[C@@H]4CC[C@H]3C2=O)C1=O ZINC000255205027 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](OC)CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255205295 JI Annotated Mild C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](O)[C@](C)(O)[C@@H]5C=C[C@]43C)[C@@H]2C1 ZINC000255206726 JI Annotated Anodyne CC1=C(CO)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O ZINC000255207291 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CCC3=C4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255207548 JI Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@H]1C[C@@H](O)[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255208206 JI Annotated Mild C/C=C(/C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000255208543 JI Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H]3[C@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255208664 JI Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@H]2[C@@H]3CN4C[C@H](C)CC[C@H]4[C@H](C)[C@H]3CC[C@]21O ZINC000255208849 JI Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@H]2[C@@H]3CN4C[C@H](C)CC[C@H]4[C@H](C)[C@@H]3CC[C@]21O ZINC000255208850 JI Annotated Anodyne CC1=C[C@H]2C[C@@H]3C[C@H]4CC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC/C=C\C(=O)O[C@@]2(CC1)[C@]4(C)[C@]31CO1 ZINC000255209239 JI Annotated Mild CC1=C2[C@H](O)C[C@]3(C)[C@H]([C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@]53C)[C@@]2(C)C=C(O)C1=O ZINC000255209306 JI Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1C[C@H]3O)[C@@H](C)C(=O)O ZINC000255209587 JI Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000255209694 JI Annotated Mild C=C1C(=O)C2=C3[C@@H](CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]13)CC[C@]21C(=O)C[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@H]21 ZINC000255209765 JI Annotated Mild CC(C)(O)[C@@H]1OC[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)C[C@H]1O ZINC000255211550 JI Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H]([C@H]4CO[C@@H](C(C)(C)O)[C@H](O)C4)[C@]3(C)CC[C@H]21 ZINC000255211551 JI Annotated Mild C/C=C/C=C/C(O)=C1\C[C@](C)(O)[C@]2(O)O[C@]3(C)C(O)=C(C)C(=O)/C(=C(O)/C=C/C=C/C)[C@@H]3[C@]2(C)C1=O ZINC000255211754 JI Annotated Mild C/C=C/C=C/C(O)=C1\C[C@](C)(O)[C@]2(O)O[C@@]3(C)C(O)=C(C)C(=O)/C(=C(O)/C=C/C=C/C)[C@H]3[C@]2(C)C1=O ZINC000255211755 JI Annotated Mild CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4[C@@H](O)C[C@@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255214399 JI Annotated Anodyne CC1=C(C)[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)COC1=O ZINC000255214785 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C(=CC[C@@H]2c2ccoc2)[C@@]2(C)C(=O)[C@H]3OC[C@@]4(C)C=CC(=O)[C@@](C)([C@H]12)[C@H]34 ZINC000255217523 JI Annotated Mild C=C1CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@H]1C ZINC000255217823 JI Annotated Mild C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000255218159 JI Annotated Anodyne C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000255218160 JI Annotated Anodyne C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000255218161 JI Annotated Anodyne C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000255218162 JI Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H](C)C3=CC(=O)[C@@]4(C[C@]5(C)C(=O)C[C@]46[C@@H](C)C[C@@H]4OC(=O)C(=C)[C@H]4C[C@@H]56)[C@@H]3C[C@H]12 ZINC000255218790 JI Annotated Mild C=C1C(=O)O[C@H]2C[C@H](C)C3=CC(=O)[C@@]4(C[C@]5(C)C(=O)C[C@]46[C@@H](C)C[C@H]4OC(=O)C(=C)[C@H]4C[C@@H]56)[C@@H]3C[C@@H]12 ZINC000255218791 JI Annotated Mild COC(=O)[C@@]12C(O)=C(C)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]3(CO)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C ZINC000255218898 JI Annotated Mild CC1(C)[C@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000255218983 JI Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@@H](C)/C=C/[C@H]2[C@H](C)[C@H]2/C=C/[C@@H]2O[C@@H](CC(=O)O)C[C@@H](N)[C@H]2O)CC=C1C ZINC000255219557 JI Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)[C@]3(O)C(=O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000255219633 JI Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255219883 JI Annotated Anodyne COC(=O)[C@H](C)[C@@H]1OC(=O)[C@H](C)[C@@]1(C)/C=C/C=C/C=C/C=C(\C)[C@@H]1O[C@@H](C)C(C)=C[C@@]1(C)O ZINC000255220069 JI Annotated Anodyne C[C@@H]1[C@H](O)[C@@]2(OC(=O)[C@@H](C)[C@H]2C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000255221179 JI Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CCC3=C4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255221999 JI Annotated Mild CO[C@]12C[C@@H](C)CN[C@@H]1C[C@H]1[C@@H](C[C@@]3(C)[C@]4(O)CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]13C)O2 ZINC000255222586 JI Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)[C@@H](CC[C@]12C)C(C)(C)[C@H](O)C[C@H]3O ZINC000255222684 JI Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000255224161 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255224162 JI Annotated Mild C/C(=C/CC[C@](C)(O)[C@@H]1[C@@H]2CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(C)C[C@H]1O)CO ZINC000255225562 JI Annotated Anodyne C/C(=C/CC[C@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C)CO ZINC000255225563 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000255225733 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000255225734 JI Annotated Anodyne CC(=O)[C@](O)(C(C)C)[C@H]1OC(=O)[C@@H]2[C@H]1O[C@H]1C=C3C4=C(CC[C@]3(C)[C@@H]21)[C@@]1(C)CCC(=O)C[C@@H]1CC4 ZINC000255225927 JI Annotated Anodyne C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)[C@H]1C[C@@]1(C)[C@@H](C)C(C)(C)O ZINC000255226580 JI Annotated Anodyne CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC1=O ZINC000255226763 JI Annotated Mild CC1(C)OC[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)C=CC(=O)C(C)(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H](O)[C@@H]1O ZINC000255226938 JI Annotated Mild C[C@H]1C=C([C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)OC1(C)C ZINC000255227552 JI Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@H]2[C@@H]3C[N@@+]4([O-])C[C@H](C)CC[C@H]4[C@H](C)[C@H]3CC[C@]21O ZINC000255229164 JI Annotated Bother CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@H]2[C@@H]3C[N@+]4([O-])C[C@H](C)CC[C@H]4[C@H](C)[C@H]3CC[C@]21O ZINC000255229170 JI Annotated Bother CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C(=O)O ZINC000255231407 JI Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C(=O)O ZINC000255231409 JI Annotated Anodyne C[C@@]1(CO)C=CC2=CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000255232062 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@H](C[C@H]3[C@@H]4CN5C[C@H](C)CC[C@H]5[C@H](C)[C@H]4CC[C@]32O)[C@@]2(C)CC[C@H](O)C[C@H]12 ZINC000255232493 JI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C1)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]12O ZINC000255234869 JI Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)[C@H](O)CCC(C)(C)O)CC[C@]12O ZINC000255234872 JI Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C1)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)[C@H](O)CCC(C)(C)O)CC[C@]12O ZINC000255234874 JI Annotated Mild CC(=O)O[C@@H]1C[C@@H](C)CN2C[C@H]3[C@@H]4CC5=C(C[C@@H](O)[C@H]6C[C@H](O)CC[C@]56C)[C@@H]4CC[C@H]3[C@@H](C)[C@H]12 ZINC000255236905 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)CN2C[C@@H]3[C@H](CC[C@H]4C5=C(C[C@@H]34)[C@@]3(C)CC[C@H](O)C[C@@H]3[C@H](O)C5)[C@@H](C)[C@H]12 ZINC000255236907 JI Annotated Anodyne CC(C)(O)[C@@H]1CC[C@H]([C@@H]2CC[C@@]3(C)C4=C([C@H](O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)[C@@H]1O ZINC000255243116 JI Annotated Mild CO[C@]12C[C@@H]3[C@H](CC=C4CC=CC(=O)[C@]43C)[C@H]3C[C@@H](OC=O)[C@H]([C@H]31)[C@@](C)([C@@H]1C[C@@H](C)[C@H](C)C(=O)O1)O2 ZINC000255244986 JI Annotated Mild CC(C)(O)[C@@H]1CC[C@]2(CO)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255246679 JI Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255247241 JI Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255247352 JI Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255247356 JI Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)[C@@H]2C[C@]1(C)C(=O)C1=C2[C@@]2(C)CC[C@H](O)C[C@@]23O[C@H]3C1=O ZINC000255247982 JI Annotated Mild CC1=C[C@@H]2[C@@H]3[C@H](C[C@]24C(=O)NC(=O)[C@@H](c2ccccc2)[C@@H]4[C@@H]1C)[C@]1(O)O[C@@]3(C)C[C@H](C)C[C@@H]1C ZINC000255248415 JI Annotated Anodyne C[C@@H]1C[C@@]2(O[C@H]3C[C@@]4(C)[C@@H]5CC(=O)[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@H]31)O[C@H](O)[C@]1(C)O[C@H]21 ZINC000255250172 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CCC3=C4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255250624 JI Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@@]2(O)CCC3=C4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255250626 JI Annotated Mild CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46C[C@H](O)[C@]23C)O1 ZINC000255256842 JI Annotated Anodyne CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@]24C[C@H]2C[C@]45C(=C2C)[C@H]2OC(=O)[C@H](C)[C@@H]2CC[C@@]5(C)O)[C@@H]13 ZINC000255257569 JI Annotated Anodyne CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255259710 JI Annotated Mild CC(=O)O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@]4(C)C[C@@H](OC(C)=O)[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)C1=O ZINC000255259714 JI Annotated Anodyne 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@@H](C)OC(C)=O)CC[C@]32O)C1 ZINC000255259753 JI Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@H]5[C@@]6(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000255259997 JI Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000255259998 JI Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@H]5[C@@]6(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000255259999 JI Annotated Anodyne CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](O)[C@@H](C)C[C@]4(OC(=O)/C=C\c4ccccc4)C(=O)[C@@]23C)C1(C)C ZINC000255260492 JI Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@@]23C[C@H]2C[C@]34C(=C2C)[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@]4(C)O)[C@@H]2[C@H]1C[C@H]1O[C@@]21C ZINC000255260790 JI Annotated Mild CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(=O)/C=C\c5ccccc5)[C@@H](C)C[C@]4(O)C(=O)[C@@]13C)C2(C)C ZINC000255260909 JI Annotated Anodyne CC(=O)[C@H]1CC[C@]2(O)[C@]3(O)CC[C@@H]4C=C(O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C ZINC000255261177 JI Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)C1=CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000255261642 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC[C@]4(O)CC=CC(=O)[C@]4(C)C3=CC[C@@]21C ZINC000255262108 JI Annotated Mild COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]23[C@@H]2O[C@]4(C)C[C@H]([C@H]13)N2C4 ZINC000255262279 JI Annotated Anodyne C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@](C)(CO)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255262521 JI Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)C(=C[C@@H]1O)C(=O)C=C1[C@H]3CC[C@@H]([C@@](C)(O)[C@@H](O)CCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255262657 JI Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)C(=C[C@@H]1O)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@H]12 ZINC000255262658 JI Annotated Mild CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000255262765 JI Annotated Mild CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@]4(C)CC[C@@H](O)[C@@]5(C)CO)CC3=CC(=O)[C@@H]12 ZINC000255262766 JI Annotated Mild C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255263431 JI Annotated Mild CC1(C)C[C@H](O)[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 ZINC000255263651 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255263825 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2[C@H](O)CC3=C4CC=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255263832 JI Annotated Mild C[C@H]1C[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000255263841 JI Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@H]3[C@](O)(C(C)(C)O)C[C@@H](O)[C@]3(C)CC[C@]21C ZINC000255263954 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@H](O[C@@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)O[C@@H]1C ZINC000255264647 JI Annotated Anodyne C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255265986 JI Annotated Anodyne C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255266178 JI Annotated Anodyne C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255266180 JI Annotated Anodyne C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)C=C(O)C(=O)C(C)=C5[C@H](O)C[C@]24C)[C@@H]3[C@H]1C ZINC000255269675 JI Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@@H](C)/C=C/[C@H]2[C@H](C)[C@H]2/C=C/[C@H]2O[C@@H](CC(=O)O)C[C@@H](O)[C@@H]2O)CC=C1C ZINC000255270372 JI Annotated Anodyne C[C@@]12CC[C@@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@@H]1CC[C@H]1C(=CC[C@H]3[C@](C)(CO)[C@H](O)[C@H](O)C[C@]13C)C2 ZINC000255270678 JI Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C ZINC000255271534 JI Annotated Anodyne CC[C@H](O)[C@@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)C1=C(O)CNC1=O ZINC000255271688 JI Annotated Mild CC(C)CC(=O)O[C@@H]1[C@@H](O)[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O)[C@]1(C)C(=O)C[C@H]([C@H](C)O)[C@@]1(C)CC3 ZINC000255272230 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255272443 JI Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255272934 JI Annotated Anodyne CC1(C)O[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)CC[C@@H]1O ZINC000255273047 JI Annotated Anodyne CCC/C=C/C[C@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)C[C@@H](O)[C@@H](O)/C=C/C=C/C=C/C(=O)N1 ZINC000255273263 JI Annotated Anodyne C[C@]12C[C@H](OC(=O)[C@H]1CO)[C@H]([C@H]1CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]31C)CO2 ZINC000255273861 JI Annotated Mild CC(C)=C1CN([C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]5[C@@H]4CC[C@H]3[C@H]2O)C1=O ZINC000255273990 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C=C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000255274700 JI Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255275269 JI Annotated Anodyne CC1(C)[C@@H](O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4C[C@H](O)[C@H]13 ZINC000255275273 JI Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@H](O)[C@@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255275277 JI Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255275281 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]([C@@]2(O)O[C@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H]1C ZINC000255277204 JI Annotated Mild C=C(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)[C@H](O)C[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O ZINC000255277744 JI Annotated Mild CC[C@H]1[C@H](C)C[C@@H]2[C@@H]1C=C[C@H]1[C@@H]3C/C=C\C(=O)NCCC[C@@H]4NC(=O)C(=C4O)C(=O)/C=C/[C@H]3C[C@H]21 ZINC000255278038 JI Annotated Mild CC(C)(O)/C=C/C[C@](C)(O)[C@H]1[C@@H](O)C[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255280168 JI Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1[C@@H](O)C[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255280169 JI Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000255280718 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@]3(O)COC(=O)C3)[C@]12C ZINC000255280998 JI Annotated Anodyne CC(C)[C@@]1(O)C[C@]2(O[C@H]3C[C@H]4[C@@H]5C(=O)C[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@]1(C)O ZINC000255281539 JI Annotated Anodyne C[C@]12CC[C@H](OS(=O)(=O)O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 ZINC000255282611 JI Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@@]21C ZINC000255282651 JI Annotated Anodyne CC(C)(O)[C@@H]1CO[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)C1 ZINC000255284363 JI Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000255286579 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000255287122 JI Annotated Mild CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]3[C@H](O)[C@@H](O)[C@@]21C ZINC000255287437 JI Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)[C@H](O)[C@]21C ZINC000255287670 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000255287678 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255287761 JI Annotated Mild CC1=C(C)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]32C)C1 ZINC000255287762 JI Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255287763 JI Annotated Mild Cc1ccc(Oc2ncccc2C(=O)N2CCC3(CC2)CC(=O)NC[C@@H]3c2cccc(F)c2)cn1 ZINC000257263915 JI Annotated Anodyne Cc1ccc(Oc2ncccc2C(=O)N2CCC3(CC2)CC(=O)NC[C@H]3c2cccc(F)c2)cn1 ZINC000257263916 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C[C@@H](C[C@H]3CCCCN31)OC(=O)C[C@@H](O)c1ccc(O)c-2c1 ZINC000257382998 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)C[C@H](O)c1ccc(O)c-2c1 ZINC000257382999 JI Annotated Anodyne CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000257401627 JI Annotated Anodyne C/C=C(\C(C)C)[C@@H](O)[C@@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257411329 JI Annotated Anodyne C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257411330 JI Annotated Anodyne C/C=C(\C(C)C)[C@H](O)[C@@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257411331 JI Annotated Anodyne C/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257411332 JI Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000257503967 JI Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000257503968 JI Annotated Anodyne CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C[C@H](O)[C@@H](O)/C=C/C=C/C=C/C(=O)N1 ZINC000257567479 JI Annotated Anodyne CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C[C@@H](O)[C@H](O)/C=C/C=C/C=C/C(=O)N1 ZINC000257567480 JI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000257590400 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000257590401 JI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000257590402 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@@]21C ZINC000257590403 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000257590404 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@]21C ZINC000257590405 JI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@]21C ZINC000257590406 JI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@@]21C ZINC000257590407 JI Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](OC(C)=O)[C@@H]3C(C)(C)OC(=O)CC[C@@]3(C)[C@@H]1C2 ZINC000257618447 JI Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](OC(C)=O)[C@@H]3C(C)(C)OC(=O)CC[C@@]3(C)[C@H]1C2 ZINC000257618448 JI Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](OC(C)=O)[C@@H]3C(C)(C)OC(=O)CC[C@]3(C)[C@H]1C2 ZINC000257618449 JI Annotated Anodyne CCN(CC)CCCNC(=O)c1cc(Cl)c(NC(=O)COc2ccc(Cl)cc2)cc1OC ZINC000026013532 JI Annotated Anodyne CN(C)CCCOc1cc(C(=O)Nc2ccc(-c3csnn3)cc2)n(Cc2ccccc2)n1 ZINC000026026903 JI Annotated Anodyne O=C1NC(=O)[C@](CC#Cc2ccc(C(F)(F)F)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000026027183 JI Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(C(F)(F)F)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000026027190 JI Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc3ccccc3c2)S1 ZINC000026028079 JI Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc3ccccc3c2)S1 ZINC000026028086 JI Annotated Mild Cc1nnc2n1C1=C(C(c3ccccc3Cl)=N[C@H]2C)[C@H]2CCN(C(=O)C3CC3)C[C@H]2S1 ZINC000026151791 JI Annotated Anodyne Cc1nnc2n1C1=C(C(c3ccccc3Cl)=N[C@@H]2C)[C@H]2CCN(C(=O)C3CC3)C[C@H]2S1 ZINC000026151796 JI Annotated Anodyne Cc1nnc2n1C1=C(C(c3ccccc3Cl)=N[C@H]2C)[C@H]2CCN(C(=O)C3CC3)C[C@@H]2S1 ZINC000026151802 JI Annotated Anodyne Cc1nnc2n1C1=C(C(c3ccccc3Cl)=N[C@@H]2C)[C@H]2CCN(C(=O)C3CC3)C[C@@H]2S1 ZINC000026151808 JI Annotated Anodyne Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(Br)c3)CC1)C(C)(C)C2 ZINC000026159972 JI Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(Br)c3)CC1)C(C)(C)C2 ZINC000026159979 JI Annotated Clean O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)c2[nH]c(-c3ccccn3)nc21 ZINC000026164527 JI Annotated Mild COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CCOCC3)o2)ccc1-c1cnco1 ZINC000026165826 JI Annotated Anodyne CCCCC/C=C\C[C@@]1(O)C=C(Cl)C(=O)/C1=C\[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000026181126 JI Annotated Mild CCCCC/C=C\C[C@@]1(O)C=C(Cl)C(=O)/C1=C\[C@H](C(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000026181924 JI Annotated Mild COc1ccc(S(=O)(=O)Nc2ccc3nc(N[C@H](C)c4ccccc4)oc(=O)c3c2C)cc1 ZINC000026186668 JI Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cccc(NC(C)=O)c3)c(F)c2)C(=O)O1 ZINC000026251729 JI Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccc(C(C)=O)cc3)c(F)c2)C(=O)O1 ZINC000026263813 JI Annotated Anodyne CC(C)N(CC[C@@](CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(=O)C(F)(F)F ZINC000026268932 JI Annotated Anodyne CC(C)N(CC[C@](CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(=O)C(F)(F)F ZINC000026268939 JI Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OCCCCC(=O)O)ccc3n(C)c12 ZINC000026270909 JI Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC[C@@H]4COC(C)(C)O4)ccc3n(C)c12 ZINC000026270920 JI Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC[C@H]4COC(C)(C)O4)ccc3n(C)c12 ZINC000026270926 JI Annotated Bother CCOC(=O)N1c2ccccc2C(=O)C[C@@H]1C#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1 ZINC000026272838 JI Annotated Mild CCOC(=O)N1c2ccccc2C(=O)C[C@H]1C#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1 ZINC000026272844 JI Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)c4cccnc4)ccc3n(C)c12 ZINC000026277591 JI Annotated Bother CCOC(=O)N1c2ccccc2[C@@H]2O[C@@H]2[C@@H]1C#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1 ZINC000026278403 JI Annotated Mild CCOC(=O)N1c2ccccc2[C@@H]2O[C@@H]2[C@H]1C#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1 ZINC000026278409 JI Annotated Mild O=C1[C@@H](Cc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N1CSc1nc2ccccc2o1 ZINC000026280684 JI Annotated Anodyne O=C1[C@H](Cc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N1CSc1nc2ccccc2o1 ZINC000026280688 JI Annotated Anodyne Cc1cc(I)cc(C)c1Oc1nc(N)nc(Nc2ccc(C#N)cc2)n1 ZINC000026290094 JI Annotated Mild Cc1cc(NC(=O)N(C)C(=O)c2ccccc2N)ccc1Oc1ncc(Br)cn1 ZINC000026290300 JI Annotated Anodyne C[C@@H](C#Cc1ccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1)N(O)C(N)=O ZINC000026378470 JI Annotated Mild C[C@H](C#Cc1ccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1)N(O)C(N)=O ZINC000026378472 JI Annotated Mild O=S(=O)(/N=C(\S)Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000026381223 JI Annotated Mild O=S(=O)(/N=C(\S)Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC000026384192 JI Annotated Mild CC(C)(C)N(Cc1ccccc1)C(=O)NCC(O)CNC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000026403969 JI Annotated Anodyne CC(=O)OCC(COC(C)=O)(COC(C)=O)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026472804 JI Annotated Bother N#Cc1ccc2cc1Oc1cccc(c1)-c1ccccc1N1CC[C@H](NCc3cncn3C2)C1=O ZINC000026481405 JI Annotated Mild N#Cc1ccc2cc1Oc1cccc(c1)[C@H](c1ccccc1)N1CC[C@H](NCc3cncn3C2)C1=O ZINC000026483748 JI Annotated Mild N#Cc1ccc2cc1Oc1cccc(c1)[C@@H](c1ccccc1)N1CC[C@H](NCc3cncn3C2)C1=O ZINC000026483756 JI Annotated Mild CC[C@@]1(Cc2ccccc2)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000026487305 JI Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000026490068 JI Annotated Bother O=C1C[C@H](c2cccc(Br)c2)[C@H](NO)[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000026491728 JI Annotated Anodyne COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 ZINC000026492183 JI Annotated Anodyne Nc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CC(=O)N2Cc2cccnc2)ccc1O ZINC000026492630 JI Annotated Bother O=C1C[C@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000026494303 JI Annotated Bother CC[C@]1(Cc2ccccc2)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000026495041 JI Annotated Anodyne CCN(CC)Cc1cccc(C(=O)OCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000026497437 JI Annotated Anodyne CN(CCOc1ccc(/C=C(\CC(=O)N2C[C@H]3CCCC[C@H]3C2)C(=O)O)cc1)c1ccccn1 ZINC000026497918 JI Annotated Anodyne CCC[C@H](NC(=O)C(CC)(CC)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)O ZINC000261072058 JI Annotated Anodyne O=C(c1ccc(F)cc1-c1ncccn1)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261075986 JI Annotated Anodyne O=C(c1cc(F)ccc1-c1ncccn1)N1C[C@H]2C[C@H](Nc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261084934 JI Annotated Anodyne O=C(c1cc(F)ccc1-c1ncccn1)N1C[C@H]2C[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261084935 JI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN4CCCC[C@H]4C3)cc2)n1 ZINC000261086535 JI Annotated Anodyne COc1cccc(-c2ccn[nH]2)c1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261087093 JI Annotated Anodyne CCN1CCN(c2cc3[nH]c(S[C@@]4(C)CC[C@H](C(=O)NC)CC4)nc3cc2Cl)CC1 ZINC000261090429 JI Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3C[C@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-c2ncccn2)c1 ZINC000261092611 JI Annotated Anodyne O=C(c1c(F)cccc1-c1ncccn1)N1C[C@H]2C[C@H](Oc3ccc(Br)cn3)[C@H]1C2 ZINC000261093781 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000261093785 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000261093786 JI Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(OCC(C)(F)F)CC1 ZINC000261094206 JI Annotated Anodyne C[N@@+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000261094871 JI Annotated Bother C[N@+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000261094876 JI Annotated Bother C[N@+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000261094880 JI Annotated Bother C[N@@+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000261094884 JI Annotated Bother Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000261095439 JI Annotated Anodyne Cc1nc2ccc(F)cc2nc1-c1cc2nc(N3CC[C@H](F)C3)cc(N[C@H]3CC[C@@](C)(O)CC3)n2n1 ZINC000261097056 JI Annotated Anodyne COc1ccc(NC(=O)C(C)(C)Cc2ccc(C(=O)Oc3ccc(C(=N)N)cc3F)s2)cn1 ZINC000261100597 JI Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1cccc(C(=O)O)c1 ZINC000261101174 JI Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(OC2CCC2)CC1 ZINC000261104133 JI Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1ccc(F)nc1 ZINC000261107381 JI Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261109285 JI Annotated Anodyne COCCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCCC4)c23)C[C@@H]1C ZINC000261112060 JI Annotated Anodyne O=C(c1c(F)cccc1-c1ncccn1)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261112277 JI Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)CCC(C)(C)C3)cc1F ZINC000261114834 JI Annotated Anodyne Cc1cc2nc(O)c3cnn(CC4CC4)c3c2cc1C(=O)N1C[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000261116306 JI Annotated Anodyne C[C@H]1C[C@@H]1c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000261116341 JI Annotated Anodyne C[C@H]1C[C@H]1c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000261116344 JI Annotated Anodyne C[C@@H]1C[C@@H]1c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000261116348 JI Annotated Anodyne C[C@@H]1C[C@H]1c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000261116351 JI Annotated Anodyne CS(=O)(=O)N[C@@H](c1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1)C(F)(F)F ZINC000261117707 JI Annotated Anodyne CS(=O)(=O)N[C@@H](c1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1)C(F)(F)F ZINC000261117711 JI Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCCCCC(=O)O ZINC000261117917 JI Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC000261118489 JI Annotated Anodyne Cc1cnn(C)c1-c1ccccc1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261119149 JI Annotated Anodyne CC(C)n1cc(C(=O)c2cnc(O)c(NC(=O)Cc3ccc4cccnc4c3)c2)c2cncnc21 ZINC000261119972 JI Annotated Anodyne CCc1cc2nc(O)c3cnn(C4CCC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)CC1 ZINC000261120534 JI Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23C[C@H]4C[C@@H](CC(CF)(C4)C2)C3)cc1F ZINC000261126434 JI Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1Cc2c(NC(=O)c3cc(Cl)cc(Cl)c3)n[nH]c2C1(C)C ZINC000261135432 JI Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1Cc2c(NC(=O)c3cc(Cl)cc(Cl)c3)n[nH]c2C1(C)C ZINC000261135433 JI Annotated Anodyne O=C(NC1(c2ccc(F)cc2)CC1)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1 ZINC000261136730 JI Annotated Anodyne CCOC(=O)c1c(CN(C)C)n(C)c2c(O)c(N=NC(N)=O)c3ccc(Br)cc3c12 ZINC000261138717 JI Annotated Clean O=C(c1cc(F)ccc1-c1ncccn1)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261138882 JI Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CCOC(C)(C)C)ncc3Cl)C2)cc1 ZINC000261138911 JI Annotated Anodyne COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cccc(-c2nnc(C)o2)c1 ZINC000261140979 JI Annotated Anodyne Cc1cc2nc(O)c3cnn(CC4CCC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC000261141615 JI Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1ccccc1C(=O)O ZINC000261144988 JI Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(Oc2ccccn2)CC1 ZINC000261145822 JI Annotated Anodyne CC(/C=C/c1ccc(N(C)C)cc1)=NNC1=NC(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S1 ZINC000261148982 JI Annotated Mild aggregator CC(/C=C/c1ccc(N(C)C)cc1)=NNC1=NC(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S1 ZINC000261148986 JI Annotated Mild aggregator CCOCCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261153323 JI Annotated Anodyne COc1cccc(F)c1CN1CCC[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccc(C#N)cc4)c3cn2)C1 ZINC000261156381 JI Annotated Mild COc1ccc(Cn2nc3c(c2C)[C@@H](c2ccc(Cl)cc2)N(c2ccc(=O)n(C)c2)C3=O)cc1 ZINC000261156887 JI Annotated Anodyne COc1ccc(Cn2nc3c(c2C)[C@H](c2ccc(Cl)cc2)N(c2ccc(=O)n(C)c2)C3=O)cc1 ZINC000261156910 JI Annotated Anodyne CCCN(CC(=O)O)C(=O)C(CC)(CC)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 ZINC000261159957 JI Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)C1=NC=N[C@@H]2[C@H]1N=CN2c1ccc(OC(F)(F)F)cc1 ZINC000261163450 JI Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)C1=NC=N[C@H]2[C@H]1N=CN2c1ccc(OC(F)(F)F)cc1 ZINC000261163452 JI Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000261167379 JI Annotated Anodyne in-vivo CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000261167380 JI Annotated Anodyne in-vivo COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F ZINC000261172257 JI Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccnc(C(F)(F)F)n3)C2)cc1 ZINC000261173092 JI Annotated Anodyne Cc1cc2nc(O)c3cnn(CC4CC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC000261173988 JI Annotated Anodyne Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(-c5ccccc5)ccc4O3)O2)c(O)nc1=O ZINC000261174833 JI Annotated Anodyne COCCOc1cccc2c(NCc3ccccc3)nc([C@@H]3C(ON)=Nc4ccccc43)nc12 ZINC000261176596 JI Annotated Anodyne COCCOc1cccc2c(NCc3ccccc3)nc([C@H]3C(ON)=Nc4ccccc43)nc12 ZINC000261176599 JI Annotated Anodyne CCOc1ncc2ccccc2c1C(=O)N1C[C@H]2C[C@H](Oc3cnc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261177014 JI Annotated Anodyne Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000261177045 JI Annotated Anodyne Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000261177046 JI Annotated Anodyne COCCCCN1C[C@H](C)N(C(=O)c2cc3c(cc2C)nc(O)c2cnn(CC4CCC4)c23)C[C@H]1C ZINC000261177994 JI Annotated Anodyne COc1ncccc1NC(=O)C(C)(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 ZINC000261179251 JI Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1C[C@H]2C[C@H](Oc3ccc(Br)cn3)[C@H]1C2 ZINC000261182011 JI Annotated Anodyne Cc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000261184742 JI Annotated Anodyne Cc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000261184743 JI Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC2[C@H]3CC4C[C@H]2CC(F)(C4)C3)cc1F ZINC000261185483 JI Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CCC(F)(F)F)ncc3Cl)C2)cc1 ZINC000261188656 JI Annotated Anodyne COc1cccc(-c2ncccn2)c1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261189659 JI Annotated Anodyne COCc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261189965 JI Annotated Anodyne COCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261189966 JI Annotated Anodyne [C-]#[N+]c1ccc(NC[C@]2(c3ccccc3)CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)C2)nc1 ZINC000261192368 JI Annotated Anodyne [C-]#[N+]c1ccc(NC[C@@]2(c3ccccc3)CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)C2)nc1 ZINC000261192369 JI Annotated Anodyne CCCCCCCCN1CCS(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)[C@@H](C(=O)OC)C1 ZINC000263590561 JI Annotated Mild COCCN=c1scc(-c2cc(OC)c(OC)c(OC)c2)n1N/C=C1\C(C)=Nc2ccccc21 ZINC000263590637 JI Annotated Anodyne COC1=C/C(=C/Nn2c(-c3ccc4c(c3)NC(=O)CO4)csc2=Nc2cccc(C)c2)C=CC1=O ZINC000263590782 JI Annotated Mild CC(=O)O[C@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)C[C@@H](C)CC[C@@H]13)C2(C)C ZINC000263590855 JI Annotated Mild CC(=O)O[C@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]3(C)C[C@@H](C)CC[C@@H]13)C2(C)C ZINC000263590856 JI Annotated Mild CC(=O)O[C@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C[C@@H](C)CC[C@@H]13)C2(C)C ZINC000263590857 JI Annotated Mild CC(=O)O[C@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(C)C[C@@H](C)CC[C@@H]13)C2(C)C ZINC000263590858 JI Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C[C@H]1O)C(=O)C=C1[C@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@H](CCC(C)(C)O)[C@@H](C)[C@@H]12 ZINC000263590882 JI Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C[C@H]1O)C(=O)C=C1[C@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@@H](CCC(C)(C)O)[C@@H](C)[C@@H]12 ZINC000263590883 JI Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C[C@@H]1O)C(=O)C=C1[C@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@H](CCC(C)(C)O)[C@@H](C)[C@@H]12 ZINC000263590884 JI Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C[C@@H]1O)C(=O)C=C1[C@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@@H](CCC(C)(C)O)[C@@H](C)[C@@H]12 ZINC000263590885 JI Annotated Mild CCOc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000263591748 JI Annotated Mild COC(=O)c1ccc(-c2cc(C#N)cc([C@@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)s1 ZINC000263620321 JI Annotated Reactive Nc1nccn2c(NCc3ccccc3)c(Cc3cc4c(cc3Br)OCO4)nc12 ZINC000263620946 JI Annotated Anodyne O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000263621156 JI Annotated Mild O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@@H]2CCCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000263621157 JI Annotated Mild O=[N+]([O-])c1cc2c(cc1C=NNc1nc(Nc3ccccc3)nc(Nc3ccccc3)n1)OCO2 ZINC000263632331 JI Annotated Mild CC(=O)OC/C=C(/C)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@@]2(C)COC(=O)CCC(=O)O ZINC000263638566 JI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(COC(=O)CCC(=O)O)C[C@H](O)C[C@]12C ZINC000263638567 JI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@@]2(C)COC(=O)CCC(=O)O ZINC000263638568 JI Annotated Anodyne CC(=O)OC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(COC(=O)CCC(=O)O)C[C@H](O)C[C@]12C ZINC000263638569 JI Annotated Anodyne c1ccc(CCNCc2cccc(COc3nn4c(C5CC5)nnc4c4ccccc34)n2)cc1 ZINC000026501424 JI Annotated Anodyne Cc1ccsc1[C@H](c1ccccn1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026502127 JI Annotated Anodyne Cc1ccsc1[C@@H](c1ccccn1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026502130 JI Annotated Anodyne N[C@H]1[C@@H](c2cccc(Br)c2)CC(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1 ZINC000026502730 JI Annotated Anodyne O=C1C[C@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccncc1 ZINC000026503073 JI Annotated Bother O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000026505950 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000026505955 JI Annotated Anodyne c1ccc([C@@H](c2nccs2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026506760 JI Annotated Anodyne c1ccc([C@H](c2nccs2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026506765 JI Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(CCC1CCCCC1)C2 ZINC000026508365 JI Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)N(CCC1CCCCC1)C2 ZINC000026508370 JI Annotated Anodyne O=C(Cc1ccncc1)N1CCN([C@@H]2c3ccc(Cl)cc3SCc3cccnc32)CC1 ZINC000026508473 JI Annotated Anodyne O=C(Cc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3SCc3cccnc32)CC1 ZINC000026508477 JI Annotated Anodyne Cc1noc(C)c1[C@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026568004 JI Annotated Anodyne Cc1noc(C)c1[C@@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026568008 JI Annotated Anodyne N#CN/C(=N\Cc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3SCc3cccnc32)CC1 ZINC000026570905 JI Annotated Mild CN1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1 ZINC000026571902 JI Annotated Anodyne CN1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1 ZINC000026571905 JI Annotated Anodyne COc1ccc([C@@H]2N=C(OCc3ccc(NS(C)(=O)=O)cc3)N(C)Cc3ccccc32)cc1 ZINC000026575604 JI Annotated Anodyne COc1ccc([C@H]2N=C(OCc3ccc(NS(C)(=O)=O)cc3)N(C)Cc3ccccc32)cc1 ZINC000026575605 JI Annotated Anodyne O=C1c2ccsc2C(=O)c2c(NCCBr)ccc(NCCBr)c21 ZINC000026579297 JI Annotated Reactive CC1=CC(=O)[C@H]2CC(=O)[C@H]3[C@@](C)(CC4=[N+]5C[C@H]6C[C@H](C)C[C@]5(CC[C@@]4(C)[C@@]3(C)CC(=O)O)O6)[C@@H]2C1 ZINC000026579402 JI Annotated Mild O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNCC2CCOCC2)CC1 ZINC000026636944 JI Annotated Anodyne CN(C(=O)CNC(=O)CNCCc1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000026639204 JI Annotated Anodyne O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Oc1cccc(N2C(=O)C=CC2=O)c1 ZINC000026643137 JI Annotated Reactive O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000026648058 JI Annotated Bother O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000026650894 JI Annotated Bother COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(CCCN[C@@H]2c2ccccc2)C1 ZINC000026650967 JI Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(CCCN[C@@H]2c2ccccc2)C1 ZINC000026650972 JI Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(CCCN[C@H]2c2ccccc2)C1 ZINC000026650977 JI Annotated Anodyne O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000026651817 JI Annotated Bother O=C(O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1C(F)(F)F ZINC000026657076 JI Annotated Anodyne O=C(O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1C(F)(F)F ZINC000026657081 JI Annotated Anodyne O=C(O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000026663073 JI Annotated Anodyne O=C(O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000026663079 JI Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCSc1ccccc1 ZINC000026664799 JI Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCSc1ccccc1 ZINC000026664803 JI Annotated Anodyne CN(C)CCOc1ccc2c(c1)/C(=N/CCc1ccc(F)cc1)N=C2NCCc1ccc(F)cc1 ZINC000026673712 JI Annotated Mild CCC(=C/[C@H](C)CCOC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000026673924 JI Annotated Anodyne C/C(=C\c1ccccn1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026674488 JI Annotated Anodyne CSc1ccccc1NC(=O)N(CCCc1ccccc1)CC(=O)N(CC(=O)NO)C(C)(C)C ZINC000026718087 JI Annotated Bother Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)oc2ccc(Cl)cc12 ZINC000026727573 JI Annotated Anodyne CC(C)(C)c1nc(OCC(=O)O)c(C#N)c(SCc2ccc(Br)cc2F)n1 ZINC000026729131 JI Annotated Mild COc1ccccc1CCN/C(N)=N/c1nc(-c2cc(-c3ccccc3)c(CNC(C)=O)o2)cs1 ZINC000026731247 JI Annotated Mild N#Cc1c(-c2ccccc2)nc(-c2cccc3c(Br)cccc23)n(CC(=O)O)c1=O ZINC000026731631 JI Annotated Mild O=C(Nc1ccccc1)N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000026733153 JI Annotated Bother CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O ZINC000026741635 JI Annotated Anodyne Cc1cc(Cl)cc(CCCOc2ccc(Cl)cc2)c1OC[C@H](O)C[C@@H](O)CC(=O)O ZINC000026745681 JI Annotated Anodyne COc1cc([C@H]2CC(=O)C[C@H]3C(=O)c4c(c(O)c5ccccc5c4O)C(=O)[C@@H]23)cc(OC)c1OC ZINC000026752360 JI Annotated Clean CCC(=O)Nc1cc(C)c(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000026816927 JI Annotated Bother C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]2O1 ZINC000026819515 JI Annotated Anodyne C/C(=C\c1csc(C)n1)[C@H]1C[C@H]2OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]2O1 ZINC000026821150 JI Annotated Anodyne CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc2c1 ZINC000026844456 JI Annotated Clean CC(=O)Nc1ccc2nc3ccc(NC(C)=O)cc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000026845086 JI Annotated Clean NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026845397 JI Annotated Clean COC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026845683 JI Annotated Clean COc1cc(CC2=C(O)[C@@](CCc3ccccc3)(C(=O)NCC(C)(C)C)OC2=O)cc(OC)c1OC ZINC000026845820 JI Annotated Anodyne COc1cc(CC2=C(O)[C@](CCc3ccccc3)(C(=O)NCC(C)(C)C)OC2=O)cc(OC)c1OC ZINC000026845825 JI Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12 ZINC000026852236 JI Annotated Clean Cc1ccc2c(Nc3ccc(NS(=O)(=O)CCNC(N)=O)cc3)c3cccc(C)c3nc2c1 ZINC000026936234 JI Annotated Clean CCN1/C(=C/C=c2\s/c(=C\c3sc4ccccc4[n+]3CC)sc2=O)Oc2ccccc21 ZINC000026938890 JI Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2ccc(N)cc12 ZINC000026941255 JI Annotated Clean CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)CC3CCCCC3)cc2)cc1 ZINC000026952794 JI Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)N1C(=O)CS[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000026967097 JI Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)N1C(=O)CS[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000026967108 JI Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000026967118 JI Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000026967127 JI Annotated Anodyne O=C1c2nccc(Br)c2C(=O)c2c(-c3ccccc3NC(=O)C(F)(F)F)ccnc21 ZINC000026979693 JI Annotated Clean COc1ccc([C@@H]2C/C(=N\CCCN(C)C)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027086328 JI Annotated Mild COc1ccc([C@H]2C/C(=N\CCCN(C)C)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027086335 JI Annotated Mild COc1ccccc1[C@@H]1C/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C1 ZINC000027088149 JI Annotated Mild COc1ccccc1[C@H]1C/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C1 ZINC000027088156 JI Annotated Mild CC1=COc2c(ccc3c2NC(=O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@@H]3C2(C)C)C(=O)N4C)OC1(C)C ZINC000027091743 JI Annotated Anodyne CN(C)CCC/N=C1\C[C@@H](c2ccc(N(C)C)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099660 JI Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(N(C)C)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099663 JI Annotated Mild CC(C)Cc1ccc([C@@H](C)C(=O)OCCCOc2nonc2S(=O)(=O)c2ccccc2)cc1 ZINC000027100339 JI Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)OCCCOc2nonc2S(=O)(=O)c2ccccc2)cc1 ZINC000027100345 JI Annotated Anodyne COc1cc2c(cc3c4c(cc5c(c42)OCO5)C(=O)N3CCCN(C)C)c(OC)c1OC(C)C ZINC000027102447 JI Annotated Bother N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1cccc(I)c1)C(=O)O ZINC000027107430 JI Annotated Anodyne N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1cccc(I)c1)C(=O)O ZINC000027107434 JI Annotated Anodyne N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccccc1I)C(=O)O ZINC000027107896 JI Annotated Anodyne N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccccc1I)C(=O)O ZINC000027107899 JI Annotated Anodyne N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccccc1I)C(=O)O ZINC000027108329 JI Annotated Anodyne N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccccc1I)C(=O)O ZINC000027108333 JI Annotated Anodyne O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@]23CC[C@H]([C@H](OCc4ccccc4)C2)N13 ZINC000027179089 JI Annotated Anodyne N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1cccc(I)c1)C(=O)O ZINC000027179335 JI Annotated Anodyne N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1cccc(I)c1)C(=O)O ZINC000027179341 JI Annotated Anodyne S=C(/N=C1/N[C@@H]2C=CC=C[C@H]2S1)SSC(=S)/N=C1\N[C@@H]2C=CC=C[C@@H]2S1 ZINC000027192159 JI Annotated Reactive CCCc1c(OC[C@@H](O)COc2ccc(/C=C3\OC(=O)NC3=O)cc2)ccc(Cl)c1Cl ZINC000027196191 JI Annotated Anodyne CCCc1c(OC[C@H](O)COc2ccc(/C=C3\OC(=O)NC3=O)cc2)ccc(Cl)c1Cl ZINC000027196197 JI Annotated Anodyne CC[C@]12CCCN3C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000027202972 JI Annotated Reactive CCOC(=O)Nc1cc(N[C@@H](/C(=N/O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027203953 JI Annotated Mild CCOC(=O)Nc1cc(N[C@H](/C(=N/O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027203959 JI Annotated Mild CC[C@]12CCCN3C[C@@H](Br)[C@]4(C(=Nc5ccc([N+](=O)[O-])cc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000027204445 JI Annotated Reactive O=C(Cc1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1)NCc1ccc(N2CCOCC2=O)cc1 ZINC000027204787 JI Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCCCC(=O)c2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027207005 JI Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCCCC(=O)c2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027207010 JI Annotated Anodyne CCC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000027210765 JI Annotated Bother CC(=O)Nc1ccc(S(=O)(=O)CC(C)(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000027211576 JI Annotated Bother O=C(O)[C@@H]1[C@@H](Sc2ccc(-c3ccc(Cl)cc3)cc2)CC[C@H]1CN1NNc2nc[nH]c2C1=O ZINC000027215636 JI Annotated Anodyne Cn1ccnc1S(=O)(=O)Cc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027311157 JI Annotated Anodyne Cn1ccnc1S(=O)(=O)Cc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027311163 JI Annotated Anodyne Cn1ccnc1S(=O)(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027322839 JI Annotated Anodyne Cn1ccnc1S(=O)(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027322846 JI Annotated Anodyne COC(=O)N(C)N[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000027327639 JI Annotated Reactive COC(=O)N(C)N[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000027327643 JI Annotated Reactive COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(S(C)(=O)=O)c1C ZINC000027328714 JI Annotated Anodyne CC[C@@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCC2 ZINC000027331698 JI Annotated Mild CC[C@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCC2 ZINC000027331702 JI Annotated Mild CCOC(=O)Cn1nc2c3cc(F)c(-c4cc(C)nc(C)c4)c(F)c3n(C3CC3)cc-2c1=O ZINC000027406902 JI Annotated Anodyne CC[C@@](C)(C(N)=O)c1csc(/C=C/c2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)n1 ZINC000027416516 JI Annotated Anodyne CC[C@](C)(C(N)=O)c1csc(/C=C/c2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)n1 ZINC000027416522 JI Annotated Anodyne O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(C2=CCN(Cc3nccs3)CC2)c(F)c1 ZINC000027424101 JI Annotated Anodyne CCc1cccc(N(C)/C(N)=N/c2cc(Br)cc(S(C)(=O)=O)c2Br)c1 ZINC000027424482 JI Annotated Mild OCCOCn1cnc2c(O)n3c(C(c4ccccc4)(c4ccccc4)c4ccccc4)cnc3nc21 ZINC000027424760 JI Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)CCCC[C@@H]1CCSS1)O2 ZINC000027427548 JI Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNC(=O)CCCC[C@@H]1CCSS1)O2 ZINC000027427555 JI Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)CCCC[C@H]1CCSS1)O2 ZINC000027427560 JI Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNC(=O)CCCC[C@H]1CCSS1)O2 ZINC000027427565 JI Annotated Reactive Cc1ccc2cc(NC(=O)c3cc4c(cc3Cl)Sc3nccn3S4(=O)=O)ccc2n1 ZINC000027438829 JI Annotated Anodyne Cc1ccc2cccc(NC(=O)c3cc4c(cc3Cl)Sc3nccn3S4(=O)=O)c2n1 ZINC000027441821 JI Annotated Anodyne CO[C@]1(c2cc(OP(=O)(O)O)ccc2Cl)OOC12[C@H]1CC3C[C@H]2CC(Cl)(C3)C1 ZINC000271776508 JI Annotated Reactive CO[C@@]1(c2cc(OP(=O)(O)O)ccc2Cl)OOC12[C@H]1CC3C[C@H]2CC(Cl)(C3)C1 ZINC000271776510 JI Annotated Reactive CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(CCC#CCCCO)C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000027518061 JI Annotated Mild CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(CCC#CCCCO)C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000027518062 JI Annotated Mild CCOc1cc(C)c(/C=N/CCCNCCNCCC/N=C/c2c(C)cc(OCC)cc2O)c(O)c1 ZINC000027518475 JI Annotated Mild C=COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C ZINC000027518629 JI Annotated Anodyne CC(=O)Nc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(NC(C)=O)cc2)cc1 ZINC000027522201 JI Annotated Mild CCCCCOCCCCCCCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 ZINC000027522493 JI Annotated Anodyne C[C@@]1(N)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2C(F)(F)F)C1 ZINC000027524567 JI Annotated Anodyne C[C@]1(N)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2C(F)(F)F)C1 ZINC000027524568 JI Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCCCC4)nc3c2)n1 ZINC000027526823 JI Annotated Anodyne COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](O)[C@@H](OC(=O)c1ccccc1)C(C)(C)O2 ZINC000027527026 JI Annotated Bother CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(NCc4ccccn4)nc3c2)n1 ZINC000027527226 JI Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(NCCc4ccncc4)nc3c2)n1 ZINC000027546502 JI Annotated Anodyne COc1cc2nc3c(c(N)c2cc1OC)CC[C@@H](CNC(=O)c1ccccc1C(F)(F)F)C3 ZINC000027550213 JI Annotated Anodyne C/C(=N\O[C@@H](Cn1ccnc1)c1ccc(F)cc1F)c1ccc(OCCN2CCOCC2)cc1 ZINC000027554078 JI Annotated Mild C/C(=N\O[C@H](Cn1ccnc1)c1ccc(F)cc1F)c1ccc(OCCN2CCOCC2)cc1 ZINC000027554080 JI Annotated Mild C#CCN(C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027554651 JI Annotated Mild C#CCN(C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027554653 JI Annotated Mild O=C(CC[S@@](=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000027556416 JI Annotated Reactive O=C(CC[S@](=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000027556418 JI Annotated Reactive CCOC(=O)c1c(Cn2ccnc2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027560263 JI Annotated Anodyne COC(=O)Cc1c(-c2cccs2)nc2ncnc(N)c2c1-c1cccc(Br)c1 ZINC000027563988 JI Annotated Anodyne COc1ccc(-c2nc(CSc3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC ZINC000027617593 JI Annotated Anodyne CCCCOP(=O)(OCCCC)OCN1C(=O)[C@@H](CC(C)C)N(CC2C=CC=C2)S1(=O)=O ZINC000027623150 JI Annotated Anodyne CCCCOP(=O)(OCCCC)OCN1C(=O)[C@H](CC(C)C)N(CC2C=CC=C2)S1(=O)=O ZINC000027623155 JI Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](OC(C)=O)[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000027624998 JI Annotated Anodyne CC(C)C[C@@H]1CS(=O)(=O)N(COP(=O)(OCc2ccccc2)OCc2ccccc2)C1=O ZINC000027626221 JI Annotated Anodyne CC(C)C[C@H]1CS(=O)(=O)N(COP(=O)(OCc2ccccc2)OCc2ccccc2)C1=O ZINC000027626227 JI Annotated Anodyne Cc1sc(/N=C(/N)NCc2ccccc2)nc1-c1ccn(S(=O)(=O)c2ccccc2)c1C ZINC000027628301 JI Annotated Mild COc1cc2nc(N(C)CCCCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC ZINC000027629204 JI Annotated Anodyne N#Cc1cccc(-c2ccc(S(=O)(=O)CCOc3ccc4ccccc4c3C(=O)NO)cc2)c1 ZINC000027642808 JI Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CCOc4ccc(F)cc4)C=C[C@@]31CCN(C)C2 ZINC000027646330 JI Annotated Anodyne CC(=O)Oc1c(Cl)ccc2c1[C@@H](OC(C)=O)[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1 ZINC000027656440 JI Annotated Anodyne CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12 ZINC000027724975 JI Annotated Clean CO[C@H]1C(=O)N2c3c(coc3C(C)(C)C)[C@]3(CC3(c3ccccc3)c3ccccc3)S(=O)(=O)[C@H]12 ZINC000027746759 JI Annotated Anodyne C[C@H](C(=O)O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23 ZINC000027752668 JI Annotated Anodyne C[C@@H](C(=O)O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23 ZINC000027758736 JI Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2c[nH]ccc2=O)cc1-c1ccccc1C)C(=O)O ZINC000027767793 JI Annotated Anodyne CC1=C(O)C(=O)C=C2C1=C[C@@H](O)[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000027867469 JI Annotated Mild CC1=C(O)C(=O)C=C2C1=C[C@@H](O)[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000027867474 JI Annotated Mild CSC[C@@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000027870041 JI Annotated Anodyne CSC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000027870047 JI Annotated Anodyne CSC[C@@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000027870054 JI Annotated Anodyne CSC[C@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000027870062 JI Annotated Anodyne CC(=O)O[C@H]1[C@@H](CN=[N+]=[N-])O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027879357 JI Annotated Clean CC(=O)O[C@@H]1[C@H](CN=[N+]=[N-])O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027879364 JI Annotated Clean CC(=O)O[C@H]1[C@H](CN=[N+]=[N-])O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027879373 JI Annotated Clean CC[C@@]12C=C(C(=O)OCCO[N+](=O)[O-])n3c4c(c5ccc(Br)cc53)CCN(CCC1)[C@H]42 ZINC000027887855 JI Annotated Anodyne C[C@@H](c1ccccc1Br)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12 ZINC000027901901 JI Annotated Anodyne C[C@H](c1ccccc1Br)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12 ZINC000027901907 JI Annotated Anodyne CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@@H]3CC[C@@H](CO)O3)c(Cl)c1Cl)C2 ZINC000027903574 JI Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@@H]3CC[C@@H](CO)O3)c(Cl)c1Cl)C2 ZINC000027903582 JI Annotated Mild CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@H]3CC[C@@H](CO)O3)c(Cl)c1Cl)C2 ZINC000027903588 JI Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@H]3CC[C@@H](CO)O3)c(Cl)c1Cl)C2 ZINC000027903596 JI Annotated Mild Nc1nc(Oc2ccc3c(O)cc(=O)oc3c2)nc2c1cnn2-c1cc(Cl)cc(Cl)c1 ZINC000027977389 JI Annotated Anodyne O=C1C(COC(=O)N(C(=O)Nc2ccccc2)c2ccccc2)=CS(=O)(=O)c2ccccc21 ZINC000027982719 JI Annotated Mild CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2nc(-c3ccccc3)oc2=S)CC1 ZINC000027983031 JI Annotated Anodyne CN(C(=O)c1ccc(C#N)cc1)[C@@H]1N(C)C(c2ccc(C#N)cc2)=NC1(C(F)(F)F)C(F)(F)F ZINC000027988994 JI Annotated Mild CN(C(=O)c1ccc(C#N)cc1)[C@H]1N(C)C(c2ccc(C#N)cc2)=NC1(C(F)(F)F)C(F)(F)F ZINC000027989000 JI Annotated Mild CCN1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027994067 JI Annotated Anodyne CCN1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027994069 JI Annotated Anodyne CC(C)(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccncc1 ZINC000027995943 JI Annotated Anodyne CC(C)(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccncc1 ZINC000027995948 JI Annotated Anodyne CSCc1cccc(N2CCN(c3cc4nc5c(cc4cc3F)c(=O)c(C(=O)O)cn5C)CC2)c1 ZINC000028000253 JI Annotated Bother CC(=O)C1CCC(C(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028003119 JI Annotated Anodyne CC(=O)C1CCC(C(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028003124 JI Annotated Anodyne COc1cc(-c2nc3nc(C)c4c(n3n2)N(Cc2ccccc2Cl)CC4)cc(OC)c1OC ZINC000028011246 JI Annotated Anodyne COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(/C=N/Nc3ccccc3)c2O)c(C)c1O ZINC000028019550 JI Annotated Mild COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1csc3c1CCCC3)CC2 ZINC000028022358 JI Annotated Anodyne COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1csc3cccc(OC)c13)CC2 ZINC000028090214 JI Annotated Anodyne CCCCCC/N=C(\S)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028092033 JI Annotated Mild COc1ccc2c(CCN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)csc2c1 ZINC000028100136 JI Annotated Anodyne CCOC(=O)CCC(=O)N(O)[C@@H](C)C#Cc1cc(-c2ccc(CC)cc2)n(-c2ccc(OC)cc2)n1 ZINC000028110219 JI Annotated Mild CCOC(=O)CCC(=O)N(O)[C@H](C)C#Cc1cc(-c2ccc(CC)cc2)n(-c2ccc(OC)cc2)n1 ZINC000028110224 JI Annotated Mild CCOC(=O)CCC(=O)N(O)[C@@H](C)C#Cc1cc(-c2ccc(C)cc2)n(-c2ccc(OC)cc2)n1 ZINC000028111232 JI Annotated Mild CCOC(=O)CCC(=O)N(O)[C@H](C)C#Cc1cc(-c2ccc(C)cc2)n(-c2ccc(OC)cc2)n1 ZINC000028111236 JI Annotated Mild O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000028117450 JI Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000028117458 JI Annotated Anodyne O=C1OCc2c1cc1c(I)cc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 ZINC000028118444 JI Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccco2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028121456 JI Annotated Anodyne O=C(CN(/N=C/c1cccc(Cl)c1)C(=O)c1ccncc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000028130175 JI Annotated Reactive CCCCOc1ccc(S(=O)(=O)N(CC2CCCCC2)[C@@H](CC(=O)O)c2cnc[nH]2)cc1 ZINC000028130206 JI Annotated Anodyne CCCCOc1ccc(S(=O)(=O)N(CC2CCCCC2)[C@H](CC(=O)O)c2cnc[nH]2)cc1 ZINC000028130212 JI Annotated Anodyne O=C(O)C[C@H](c1cnc[nH]1)N(CCc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000028130218 JI Annotated Anodyne O=C(O)C[C@@H](c1cnc[nH]1)N(CCc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000028130224 JI Annotated Anodyne O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000028133349 JI Annotated Reactive O=[N+]([O-])c1ccc(-c2nc(S(=O)(=O)C(F)(F)C(F)F)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000028220453 JI Annotated Bother Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N4CCC[C@H]4C(=O)O)CCCC3)cc2)c1 ZINC000028220972 JI Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028228273 JI Annotated Anodyne Cc1cc(C(=O)Nc2ccc(N3CCOCC3=O)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028235926 JI Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc([C@]4(O)C[C@H]5CO[C@@H](C4)O5)n3)cc2n1 ZINC000028251933 JI Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc([C@@]4(O)C[C@H]5CO[C@@H](C4)O5)n3)cc2n1 ZINC000028251941 JI Annotated Mild N#Cc1cc2cc(OCc3cccc([C@]4(O)C[C@H]5CO[C@@H](C4)O5)n3)ccc2c(-c2ccoc2)n1 ZINC000028252828 JI Annotated Mild N#Cc1cc2cc(OCc3cccc([C@@]4(O)C[C@H]5CO[C@@H](C4)O5)n3)ccc2c(-c2ccoc2)n1 ZINC000028252835 JI Annotated Mild CCNCc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccccc3)n2)ccc1OC ZINC000028257509 JI Annotated Mild O=C(/C=C/c1ccc(F)cc1F)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028330775 JI Annotated Anodyne O=C(/C=C/c1ccc(F)cc1F)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028330782 JI Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2nccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028330863 JI Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccccn2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028331013 JI Annotated Anodyne O=C(CN(/N=C/c1ccc(Cl)cc1)C(=O)c1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000028335757 JI Annotated Reactive CCCCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)[C@@H](CC(=O)O)c2cnc[nH]2)cc1 ZINC000028336486 JI Annotated Anodyne CCCCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)[C@H](CC(=O)O)c2cnc[nH]2)cc1 ZINC000028336495 JI Annotated Anodyne CN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)c(F)c2)C(=O)O1 ZINC000028336897 JI Annotated Anodyne NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)c(Br)s1 ZINC000028339628 JI Annotated Reactive O=C(CN(/N=C/c1ccc(Cl)cc1Cl)C(=O)c1ccncc1)N1CCN(c2ccccc2)CC1 ZINC000028339943 JI Annotated Reactive O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000028340163 JI Annotated Reactive O=C(CN(/N=C/c1cccc(Cl)c1)C(=O)c1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000028344293 JI Annotated Reactive CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028346183 JI Annotated Anodyne COC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000028347904 JI Annotated Anodyne C=CCOC(=O)N(CC(=O)O)C(=O)c1c(Br)ccc2c(C(F)(F)F)c(OC)ccc12 ZINC000028353517 JI Annotated Mild NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)[C@H](c1ccccc1)CCC3 ZINC000028354325 JI Annotated Reactive NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)[C@@H](c1ccccc1)CCC3 ZINC000028354334 JI Annotated Reactive NNC(=O)CSc1nc2sc(Cl)c(-c3ccccc3F)c2c(=O)n1-c1cccc(F)c1 ZINC000028355012 JI Annotated Reactive CN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4cccc(Cl)c4)CC3)c(F)c2)C(=O)O1 ZINC000028355852 JI Annotated Anodyne CCN(CC)CC(=O)Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028357863 JI Annotated Anodyne CCN(CC)CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028357871 JI Annotated Anodyne Cc1cccc([C@@](O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028359932 JI Annotated Anodyne Cc1cccc([C@](O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028359941 JI Annotated Anodyne CSN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4C)CC3)c(F)c2)C(=O)O1 ZINC000028360821 JI Annotated Anodyne O=C(O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)NS(=O)(=O)C1CCCCC1 ZINC000028363548 JI Annotated Anodyne Cc1csc(C(=O)NNC(=O)CN2CCC[C@@H]2CNCCC(c2ccccc2)c2ccccc2)c1 ZINC000028365793 JI Annotated Reactive Cc1csc(C(=O)NNC(=O)CN2CCC[C@H]2CNCCC(c2ccccc2)c2ccccc2)c1 ZINC000028365801 JI Annotated Reactive N#CCCCCN(CCCN1CCN(CCC/N=C2\C=CN[C@H]3C=C(Cl)C=C[C@@H]23)CC1)CC1CC1 ZINC000028367212 JI Annotated Mild N#CCCCCN(CCCN1CCN(CCC/N=C2\C=CN[C@@H]3C=C(Cl)C=C[C@@H]23)CC1)CC1CC1 ZINC000028367221 JI Annotated Mild Cc1c(/C(=N/N)c2ccccc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028368112 JI Annotated Mild CN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4Cl)CC3)c(F)c2)C(=O)O1 ZINC000028369177 JI Annotated Anodyne Cc1ccc(NC(=O)OCc2cn(-c3cc4nc(C(=O)O)c(O)nc4cc3C(F)(F)F)cn2)cc1 ZINC000028372038 JI Annotated Anodyne O=c1oc2c(Br)cccc2cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000028372241 JI Annotated Anodyne CC1(C)OC[C@H](NC(=O)Nc2ccccc2I)[C@H](c2ccccc2)O1 ZINC000028372708 JI Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccco2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028379838 JI Annotated Reactive Cc1c(/C(=N/NC(N)=O)c2ccccc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028380280 JI Annotated Reactive O=C(O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)NS(=O)(=O)CC1CCCCC1 ZINC000028380398 JI Annotated Anodyne O=C(O)C[C@@H](CC1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028385637 JI Annotated Anodyne O=C(O)C[C@H](CC1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028385644 JI Annotated Anodyne O=C(O)C[C@@H](CCC1CCN(C(=O)CCCNc2ccccn2)CC1)c1ccc2c(c1)OCO2 ZINC000028386594 JI Annotated Anodyne O=C(O)C[C@H](CCC1CCN(C(=O)CCCNc2ccccn2)CC1)c1ccc2c(c1)OCO2 ZINC000028386600 JI Annotated Anodyne Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)s1 ZINC000028387654 JI Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccccc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028388771 JI Annotated Reactive O=C(O)C[C@@H](CCC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028389887 JI Annotated Anodyne O=C(O)C[C@H](CCC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028389894 JI Annotated Anodyne Cc1c(C(=O)NNc2ccccc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028390910 JI Annotated Reactive Cc1ccc(/C=N/NC(=O)c2nnc3c4c(-c5ccccc5)c(-c5ccccc5)nnc4nn3c2C)o1 ZINC000028391632 JI Annotated Reactive COc1cc2c(C(=O)OCCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028392827 JI Annotated Bother COC(=O)c1ccc(C[n+]2ccc(CCC(=O)[C@@H]3Cc4cc(OC)c(OC)cc4S3)cc2)cc1 ZINC000028393382 JI Annotated Anodyne COC(=O)c1ccc(C[n+]2ccc(CCC(=O)[C@H]3Cc4cc(OC)c(OC)cc4S3)cc2)cc1 ZINC000028393387 JI Annotated Anodyne CN1CC[C@H](N(C)C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)s3)C2)C1 ZINC000028393982 JI Annotated Anodyne CN1CC[C@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)s3)C2)C1 ZINC000028394508 JI Annotated Anodyne O=C1[C@@H](c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028398268 JI Annotated Anodyne O=C1[C@H](c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028398273 JI Annotated Anodyne O=C1[C@@H](c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028398279 JI Annotated Anodyne O=C1[C@H](c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028398283 JI Annotated Anodyne CC(C)c1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CCN(C)C4)C3)s2)cc1 ZINC000028458884 JI Annotated Anodyne CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O ZINC000028461776 JI Annotated Anodyne CN1CC[C@@H](N(C)C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)s3)C2)C1 ZINC000028462609 JI Annotated Anodyne CN1CC[C@@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccccc4C(F)(F)F)s3)C2)C1 ZINC000028462906 JI Annotated Anodyne CN1CC[C@@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)s3)C2)C1 ZINC000028463418 JI Annotated Anodyne COc1cncc([C@@H](CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028468162 JI Annotated Anodyne COc1cncc([C@H](CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028468166 JI Annotated Anodyne Cn1c(-c2ccc(N=C(N)N)c(C(F)(F)F)c2)ccc1-c1ccc(N=C(N)N)c(C(F)(F)F)c1 ZINC000028469239 JI Annotated Mild N#Cc1cncc([C@H](CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028473186 JI Annotated Mild N#Cc1cncc([C@@H](CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028473189 JI Annotated Mild COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl ZINC000028474277 JI Annotated Anodyne O=C(O)C[C@@H](c1ccc2c(c1)OCO2)n1ccc2cc(OCCc3ccc4c(n3)NCCO4)ccc21 ZINC000028476655 JI Annotated Anodyne O=C(O)C[C@H](c1ccc2c(c1)OCO2)n1ccc2cc(OCCc3ccc4c(n3)NCCO4)ccc21 ZINC000028476658 JI Annotated Anodyne N[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2F)c1=O)c1ccccc1 ZINC000028476968 JI Annotated Anodyne CCN(CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4)C(C)C ZINC000028520400 JI Annotated Bother COc1cc2c(=O)n(CCN3CCC(C)CC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028520402 JI Annotated Bother NNC(=O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 ZINC000028520563 JI Annotated Reactive COC(=O)c1cc2c(s1)C(=O)C(Cl)=C(Nc1ccc(I)cc1)C2=O ZINC000028521246 JI Annotated Mild COc1cc2c(=O)n(CCNCc3ccccc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028521268 JI Annotated Bother COc1cc2cc(C(=O)Nc3cc(N)c4ccccc4c3CCOC(C)=O)[nH]c2c(OC)c1OC ZINC000028521299 JI Annotated Anodyne CC1CCN(C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)CC1 ZINC000028522990 JI Annotated Anodyne Cc1nn(Cc2ccccc2)c(=O)c2nc(CCCCC(=O)O)n3nc(-c4ccccc4)cc3c12 ZINC000028523422 JI Annotated Anodyne Cc1nc(N)sc1S(=O)(=O)n1cc([C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000028526555 JI Annotated Anodyne Cc1nc(N)sc1S(=O)(=O)n1cc([C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000028526556 JI Annotated Anodyne CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(I)cc2)c2ccccc12 ZINC000028527099 JI Annotated Anodyne CCCCCCO/C(O)=N/C(=N/C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000028528142 JI Annotated Mild COc1ccc(-c2cc(SC)n(-c3nc(N4CCCCC4)nc(N4CCCCC4)n3)n2)cc1OC ZINC000028528749 JI Annotated Anodyne O=S(=O)(Nc1cccc(Oc2ccccc2)c1)N1CCC(NCc2ccccc2O)CC1 ZINC000028529785 JI Annotated Clean O=S(=O)(Nc1cccc(Oc2ccc(F)cc2F)c1)N1CCC(NCc2ccccc2O)CC1 ZINC000028529942 JI Annotated Clean COc1cc(/C=C/C(=O)N2[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl ZINC000028530362 JI Annotated Anodyne CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OCCC(C)C)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000028530749 JI Annotated Mild CCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000028530950 JI Annotated Mild N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)nc1 ZINC000028564580 JI Annotated Mild COc1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4ccc(F)cc4)nc3)c1NC2 ZINC000028564604 JI Annotated Anodyne N#Cc1ccc(Cn2nnnc2CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)cc1 ZINC000028564655 JI Annotated Mild COc1cc(OC)cc(Oc2ncccc2-c2nnc(Nc3ccc4c(c3)OCCO4)n2C)c1 ZINC000028564693 JI Annotated Anodyne CCOC(=O)c1cc(C#N)c2cccc(O[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c3ccccc3)n12 ZINC000028564829 JI Annotated Mild CCOC(=O)c1cc(C#N)c2cccc(O[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)O)c3ccccc3)n12 ZINC000028564831 JI Annotated Mild COc1ccc2c(c1)CNc1c(Nc3cnc(NC(=O)c4ccc(C)cc4)nc3)ncnc1O2 ZINC000028564838 JI Annotated Anodyne COc1ccc2c(c1)CNc1c(Nc3cnc(NC(=O)c4cccc(F)c4)nc3)ncnc1O2 ZINC000028564840 JI Annotated Anodyne COc1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4cccc(F)c4)nc3)c1NC2 ZINC000028564842 JI Annotated Anodyne N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)C(=O)c2ccco2)cc1 ZINC000028564861 JI Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)sc2c1CCC(C)(C)C2 ZINC000028565166 JI Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)sc2c1CCC(C)(C)C2 ZINC000028565203 JI Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)N2CCc3ccccc32)sc2c1CCC(C)(C)C2 ZINC000028565205 JI Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccc(F)cc2)sc2c1CCC(C)(C)C2 ZINC000028565589 JI Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)N2CCc3ccccc3C2)sc2c1CCC(C)(C)C2 ZINC000028565622 JI Annotated Mild C/C(=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000028567866 JI Annotated Clean CC(C)[C@@H](CNc1nccc(OCc2ccc(Cl)cc2Cl)n1)NC(=O)[C@@H]1CCCN(C)C1 ZINC000028567886 JI Annotated Anodyne CC(C)[C@@H](CNc1nccc(OCc2ccc(Cl)cc2Cl)n1)NC(=O)[C@H]1CCCN(C)C1 ZINC000028567887 JI Annotated Anodyne COC(=O)c1c(OCCCN(C)C)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O ZINC000028568061 JI Annotated Clean CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc3c(c1)OCO3)C=CC2=O ZINC000028568105 JI Annotated Mild O=C(O)[C@@H]1C[C@@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000028568232 JI Annotated Anodyne O=C(O)[C@H]1C[C@@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000028568234 JI Annotated Anodyne CC(C)(C)c1nc(N2CCN(C/C=C/CN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1 ZINC000028568327 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](C)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000028568483 JI Annotated Clean CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@@](C)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000028568484 JI Annotated Clean CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@](C)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000028568485 JI Annotated Clean CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](C)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000028568486 JI Annotated Clean OC[C@@H]1C[C@@]2(c3ccccc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000028568544 JI Annotated Anodyne OC[C@H]1C[C@@]2(c3ccccc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000028568545 JI Annotated Anodyne CN1CCNc2nc(CCCc3nc(C[C@@H](CC(=O)O)c4ccc5c(c4)OCO5)cs3)ccc21 ZINC000028568696 JI Annotated Anodyne CN1CCNc2nc(CCCc3nc(C[C@H](CC(=O)O)c4ccc5c(c4)OCO5)cs3)ccc21 ZINC000028568697 JI Annotated Anodyne O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc2ccccc2c1 ZINC000028568836 JI Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc2ccccc2c1 ZINC000028568837 JI Annotated Anodyne O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc(C2CC2)s1 ZINC000028568865 JI Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc(C2CC2)s1 ZINC000028568866 JI Annotated Anodyne CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CCC4)nc3=O)CC2)cc(C(F)(F)F)n1 ZINC000028568973 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NN2C(=S)S/C(=C\c3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1 ZINC000028569115 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NN2C(=S)S/C(=C\c3ccc(Cl)c(Cl)c3)[C@H]2O)cc1 ZINC000028569116 JI Annotated Anodyne O=S(=O)(NN1C(=S)S/C(=C\c2ccc(Cl)c(Cl)c2)[C@@H]1O)c1ccc(F)cc1 ZINC000028569158 JI Annotated Anodyne O=S(=O)(NN1C(=S)S/C(=C\c2ccc(Cl)c(Cl)c2)[C@H]1O)c1ccc(F)cc1 ZINC000028569159 JI Annotated Anodyne O=S(=O)(NN1C(=S)S/C(=C\c2ccc(Cl)c(Cl)c2)[C@@H]1O)c1ccccc1F ZINC000028569165 JI Annotated Anodyne O=S(=O)(NN1C(=S)S/C(=C\c2ccc(Cl)c(Cl)c2)[C@H]1O)c1ccccc1F ZINC000028569166 JI Annotated Anodyne CCOC(=O)c1cn(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000028569346 JI Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2Oc2cccc3c2CCCC3)nc1 ZINC000028570141 JI Annotated Mild CC(C)CCn1c(Cn2c(=O)n(CCCCCc3nnn[nH]3)c3ccccc32)nc2ccccc21 ZINC000028570362 JI Annotated Anodyne COCc1ncc([C@@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)s1 ZINC000028570695 JI Annotated Anodyne COCc1ncc([C@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)s1 ZINC000028570696 JI Annotated Anodyne COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)[C@@H](C)C(=O)O)(c1ccccc1)C2=O ZINC000028571084 JI Annotated Clean COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)[C@@H](C)C(=O)O)(c1ccccc1)C2=O ZINC000028571085 JI Annotated Clean COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)[C@H](C)C(=O)O)(c1ccccc1)C2=O ZINC000028571339 JI Annotated Clean COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)[C@H](C)C(=O)O)(c1ccccc1)C2=O ZINC000028571340 JI Annotated Clean CC(C)(C)[C@H](NC(=O)OCCO)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 ZINC000028571848 JI Annotated Anodyne O=c1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1Cc1cc(-n2ccnc2)ccc1O ZINC000028603971 JI Annotated Clean CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2OCc2ccccc2)c1O ZINC000028604008 JI Annotated Mild CC1(C)C[C@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000028604381 JI Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000028604436 JI Annotated Anodyne CC1(C)C[C@@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000028604507 JI Annotated Anodyne COc1ccc(OC2CCN(c3ccc(OC[C@@]4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)CC2)cc1 ZINC000028604512 JI Annotated Clean CCN(CC)CCN1c2ccccc2N(CCc2ccc(OC)cc2)c2ncccc2S1(=O)=O ZINC000028637915 JI Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N3C)cc1 ZINC000028638507 JI Annotated Anodyne CCN(CC)CCN1c2ccccc2N=C2C(=CC=CN2CCc2ccc(OC)cc2)S1(=O)=O ZINC000028639010 JI Annotated Anodyne COc1ccc2c(c1NCc1ccccc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000028639109 JI Annotated Anodyne CCCC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OC)c(C)c4c3[nH]c3ccccc34)nc2C1=O ZINC000028640663 JI Annotated Mild COc1cc(N(C)CCCNC(=O)N[C@H](C(=O)O)c2ccccc2)c2nc(C(C)(C)C)ccc2c1 ZINC000028642468 JI Annotated Anodyne CNc1ccc(/C=C/c2cnc(OCCOCCOCCF)c(I)c2)cc1 ZINC000028643286 JI Annotated Anodyne CN(C)c1ccc(/C=C/c2cnc(OCCOCCOCCF)c(Br)c2)cc1 ZINC000028644044 JI Annotated Clean COc1cc2c(c(Br)c1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C ZINC000028647495 JI Annotated Anodyne in-vivo COc1c(Br)cc(C=O)c(OC(=O)c2ccc(N(C)C)cc2)c1Br ZINC000028652122 JI Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1 ZINC000028656008 JI Annotated Bother COC(=O)CCC/C=C(\c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000028656353 JI Annotated Anodyne CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1cccc(Br)c1 ZINC000028702126 JI Annotated Anodyne CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)Nc1cccc(Br)c1 ZINC000028702128 JI Annotated Anodyne CN(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000028702982 JI Annotated Anodyne CN(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000028702984 JI Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCc3ccc5c(c3)NC(=O)CS5)C4)c2c1 ZINC000028703200 JI Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)NC(=O)CS5)C4)c2c1 ZINC000028703202 JI Annotated Anodyne COc1ccc2nccc(-n3ncc4c3CC[C@H](NCc3ccc5c(c3)NC(=O)CS5)C4)c2c1 ZINC000028703204 JI Annotated Anodyne COc1ccc2nccc(-n3ncc4c3CC[C@@H](NCc3ccc5c(c3)NC(=O)CS5)C4)c2c1 ZINC000028703206 JI Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028703365 JI Annotated Anodyne CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(N(C)C#N)nc2NCC(F)(F)F)c(F)c1 ZINC000028703524 JI Annotated Anodyne N#Cc1c(O)nsc1Nc1cc(Cl)cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000028707477 JI Annotated Mild O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccccc1O ZINC000028708069 JI Annotated Reactive O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccc(O)cc1 ZINC000028708075 JI Annotated Reactive CS(=O)(=O)c1ccc(OCc2nnc3sc(-c4cccc(Cl)c4Cl)nn23)cc1 ZINC000028709024 JI Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C/C(=O)c3c(F)cc(Cl)cc3Cl)cc2)C(=O)O1 ZINC000028709372 JI Annotated Mild Cc1ccc(O)c(Cn2c(NC3CCN(C[C@@H](O)C(C)(C)C)CC3)nc3c(C)cccc32)n1 ZINC000028710362 JI Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(C[C@H](O)C(C)(C)C)CC3)nc3c(C)cccc32)n1 ZINC000028710363 JI Annotated Anodyne CC(C)(C)N/C(O)=N/S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 ZINC000028710468 JI Annotated Mild COC(=O)c1cc(/C(=C\CCc2nnc(C)o2)c2cc(C)c3on(C)c(=O)c3c2)cc(C)c1OC ZINC000028711671 JI Annotated Anodyne COC(=O)c1cc(/C(=C/CCc2nnc(C)o2)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000028711674 JI Annotated Anodyne CCc1nccn1[C@@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1cncn1C ZINC000028712111 JI Annotated Anodyne CCc1nccn1[C@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1cncn1C ZINC000028712112 JI Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccc(Cl)cc4)cc(c23)C1=O ZINC000028712280 JI Annotated Anodyne CSc1ccc(Cc2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc(C)cc2)cc1 ZINC000028712446 JI Annotated Mild CSc1ccc(Cc2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc(F)cc2)cc1 ZINC000028712448 JI Annotated Mild CSc1ccc(Cc2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc(C)cc2)cc1 ZINC000028712453 JI Annotated Mild CSc1ccc(Cc2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc(Cl)cc2)cc1 ZINC000028712454 JI Annotated Mild Cc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](CS)C(=O)O ZINC000028713142 JI Annotated Mild COc1ccc(C(=O)Nc2c3sscc-3n(-c3ccc(OC)cc3OC)c2=O)c(OC)c1 ZINC000028714461 JI Annotated Anodyne N=C(N)SCCCOc1oc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2c1Cl ZINC000028757405 JI Annotated Anodyne N=C(N)SCCCOc1oc(=O)c2cc(NC(=O)NCc3ccccc3)ccc2c1Cl ZINC000028757412 JI Annotated Anodyne C[C@@H](NC(=O)Nc1ccc2c(Cl)c(OCCSC(=N)N)oc(=O)c2c1)c1ccccc1 ZINC000028757834 JI Annotated Anodyne C[C@H](NC(=O)Nc1ccc2c(Cl)c(OCCSC(=N)N)oc(=O)c2c1)c1ccccc1 ZINC000028757992 JI Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccnc2)c1 ZINC000028764149 JI Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2nccs2)c1 ZINC000028764152 JI Annotated Mild O=C1[C@@H]2[C@H](c3ccccc3)NC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000028764178 JI Annotated Clean CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc3c(cc2C1)OCO3 ZINC000028766498 JI Annotated Anodyne CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc3c(cc2C1)OCO3 ZINC000028766500 JI Annotated Anodyne COc1ccc2c(c1)c(Oc1ccc([N+](=O)[O-])cc1)c(/C(O)=N/c1nn[nH]n1)n2-c1ccccc1 ZINC000028767484 JI Annotated Mild CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccc(OC)cc2)=NN1 ZINC000028770828 JI Annotated Anodyne CSCCC(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815961 JI Annotated Mild CSCCC(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815963 JI Annotated Mild CN1C[C@@H](N(Cc2ccccc2F)S(=O)(=O)c2cn(C)cn2)Cc2cc(-c3ccccc3)ccc21 ZINC000028816078 JI Annotated Anodyne CN1C[C@H](N(Cc2ccccc2F)S(=O)(=O)c2cn(C)cn2)Cc2cc(-c3ccccc3)ccc21 ZINC000028816079 JI Annotated Anodyne O=C1CSc2ccc(C(=O)N[C@@H]3CCc4nn(-c5cccc6ccccc56)cc4C3)cc2N1 ZINC000028817387 JI Annotated Anodyne O=C1CSc2ccc(C(=O)N[C@H]3CCc4nn(-c5cccc6ccccc56)cc4C3)cc2N1 ZINC000028817389 JI Annotated Anodyne Cc1cc(-n2cc3c(n2)CC[C@H](NC(=O)c2ccc4c(c2)NC(=O)CS4)C3)c2cc(F)ccc2n1 ZINC000028817405 JI Annotated Anodyne Cc1cc(-n2cc3c(n2)CC[C@@H](NC(=O)c2ccc4c(c2)NC(=O)CS4)C3)c2cc(F)ccc2n1 ZINC000028817406 JI Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3C)SCC(=O)N5)C4)c2c1 ZINC000028817497 JI Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3C)SCC(=O)N5)C4)c2c1 ZINC000028817498 JI Annotated Anodyne O=C(CN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCCC[C@H]1C(=O)O ZINC000028817897 JI Annotated Anodyne O=C(CN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCCC[C@@H]1C(=O)O ZINC000028817899 JI Annotated Anodyne O=C(CN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCCC[C@H]1C(=O)O ZINC000028817901 JI Annotated Anodyne O=C(CN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCCC[C@@H]1C(=O)O ZINC000028817903 JI Annotated Anodyne O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@H](c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000028818772 JI Annotated Bother O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000028818774 JI Annotated Bother CC(C)CNC(=O)[C@@H]1S[C@@H](c2cccc(C(F)(F)F)c2)N(CCc2ccccn2)C1=O ZINC000028819487 JI Annotated Anodyne CC(C)CNC(=O)[C@H]1S[C@@H](c2cccc(C(F)(F)F)c2)N(CCc2ccccn2)C1=O ZINC000028819488 JI Annotated Anodyne CC(C)CNC(=O)[C@@H]1S[C@H](c2cccc(C(F)(F)F)c2)N(CCc2ccccn2)C1=O ZINC000028819490 JI Annotated Anodyne CC(C)CNC(=O)[C@H]1S[C@H](c2cccc(C(F)(F)F)c2)N(CCc2ccccn2)C1=O ZINC000028819491 JI Annotated Anodyne Nc1c(F)c(N2CCc3sc(Br)cc3C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000028821943 JI Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(N)=O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822181 JI Annotated Anodyne CC(C)C[C@@]1(C(N)=O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822182 JI Annotated Anodyne CNC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1nccs1 ZINC000028822195 JI Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 ZINC000028822843 JI Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 ZINC000028822844 JI Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 ZINC000028822877 JI Annotated Anodyne CN1C(=O)[C@@H](NC(=O)C2(C(=O)NCCC3CCCC3)CCC2)c2ccccc2-c2ccccc21 ZINC000028822951 JI Annotated Anodyne O=C(CSc1nnnn1-c1ccc(C2CC2)cc1Cl)Nc1ccc(C(=O)O)cc1Cl ZINC000028823590 JI Annotated Anodyne O=C(CSc1nnnn1-c1ccc(C2CC2)cc1Cl)Nc1ccc(C#CCCO)cc1Cl ZINC000028823597 JI Annotated Mild O=C(O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1 ZINC000028823602 JI Annotated Mild CNCc1cc(C#CCCN2CCN(C(C)C)C(=O)C2)ccc1Oc1ccc(SC)cc1 ZINC000028825166 JI Annotated Mild O=C(OCc1ccccc1)C(=Cc1cnn(Cc2ccccc2)c(=O)c1)C(=O)OCc1ccccc1 ZINC000028825832 JI Annotated Anodyne NC(N)=NC(=O)Cc1c(-c2ccccc2Cl)csc1-c1ccc(OCCc2cn[nH]c2)cc1 ZINC000028826080 JI Annotated Mild O=C1O[C@@H]2C=CC=CC2=C2Oc3c(c(=O)oc4ccccc34)[C@H](c3c(O)c4ccccc4oc3=O)[C@H]12 ZINC000028826685 JI Annotated Anodyne O=C1O[C@@H]2C=CC=CC2=C2Oc3c(c(=O)oc4ccccc34)[C@@H](c3c(O)c4ccccc4oc3=O)[C@H]12 ZINC000028826686 JI Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc([C@@H](C)CCCC(C)(C)OC)s1 ZINC000028827363 JI Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc([C@H](C)CCCC(C)(C)OC)s1 ZINC000028827364 JI Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)NCC(F)(F)F)s1 ZINC000028827374 JI Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)NCC(F)(F)F)s1 ZINC000028827375 JI Annotated Anodyne CCCCN[C@@H](C)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1 ZINC000028827380 JI Annotated Anodyne CCCCN[C@H](C)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1 ZINC000028827381 JI Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)NCC(C)C)s1 ZINC000028827384 JI Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)NCC(C)C)s1 ZINC000028827385 JI Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)N2CCCC2)s1 ZINC000028827408 JI Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)N2CCCC2)s1 ZINC000028827409 JI Annotated Anodyne O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12 ZINC000028862593 JI Annotated Anodyne O=C(O)CCCCCN1C(=O)[C@H]([C@@H]2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC1=S ZINC000028863708 JI Annotated Clean O=C(O)CCCCCN1C(=O)[C@@H]([C@@H]2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC1=S ZINC000028863709 JI Annotated Clean NC(=O)c1ccc(Sc2cnc(NC(=O)NCc3nc(-c4ccccc4)c[nH]3)s2)cc1 ZINC000028864099 JI Annotated Anodyne CCCN(C(=O)CC(=O)O)C1=C(C)C[C@@H](c2ccc(N)cc2)N([C@@H](C)c2ccc(OC)cc2)C1=O ZINC000028869449 JI Annotated Anodyne CCCN(C(=O)CC(=O)O)C1=C(C)C[C@H](c2ccc(N)cc2)N([C@@H](C)c2ccc(OC)cc2)C1=O ZINC000028869545 JI Annotated Anodyne CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5cccc6ccncc56)CC[C@@H]42)C=C3[C@@H](O)[C@@H]1O ZINC000028872498 JI Annotated Anodyne O=C1C2=C(CCCC2)C(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000028876265 JI Annotated Anodyne O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000028876290 JI Annotated Anodyne OCC1(N2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccccc6F)n5)cc43)CC2)CCCC1 ZINC000028880912 JI Annotated Anodyne OCC1(N2CCN([C@H]3CCc4ccc(OCc5noc(-c6ccccc6F)n5)cc43)CC2)CCCC1 ZINC000028880919 JI Annotated Anodyne CCc1ccccc1N(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1C ZINC000028890727 JI Annotated Anodyne CCOC(=O)Cc1cn(C[C@@](O)(Cn2cncn2)c2ccc(Cl)cc2Cl)c2ccccc12 ZINC000028894948 JI Annotated Anodyne COC(=O)C(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1 ZINC000028896811 JI Annotated Mild CCCC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897119 JI Annotated Anodyne CC(C)C(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897125 JI Annotated Anodyne CC(C)CC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897136 JI Annotated Anodyne C[C@H](N)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000028898372 JI Annotated Anodyne CN(C)CCNCc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000028899265 JI Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cc5ccccc5o4)n[nH]c2-3)C(=O)O1 ZINC000028949247 JI Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4nc5ccccc5s4)n[nH]c2-3)C(=O)O1 ZINC000028949250 JI Annotated Anodyne O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccoc4)n[nH]c2-3)C(=O)O1)c1ccoc1 ZINC000028949314 JI Annotated Anodyne CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000028950901 JI Annotated Anodyne CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnn2C)cn1 ZINC000028951850 JI Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CC(=O)OC(C)(C)C)c3ccccc32)nc2cc(C#N)ccc21 ZINC000028952166 JI Annotated Mild CC(=O)C1=NN(c2cc(Cl)ccc2F)C[C@@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953490 JI Annotated Anodyne CC(=O)C1=NN(c2cc(Cl)ccc2F)C[C@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953492 JI Annotated Anodyne CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@H](C4=CCOC4=O)C[C@H]3[C@]2(C)CC[C@H]1OC(=O)CC ZINC000028955971 JI Annotated Anodyne CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@H](C4=CCOC4=O)C[C@@H]3[C@]2(C)CC[C@H]1OC(=O)CC ZINC000028955973 JI Annotated Anodyne CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@@H](C4=CCOC4=O)C[C@H]3[C@]2(C)CC[C@H]1OC(=O)CC ZINC000028955976 JI Annotated Anodyne CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@@H](C4=CCOC4=O)C[C@@H]3[C@]2(C)CC[C@H]1OC(=O)CC ZINC000028955978 JI Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](OC(=O)c1ccc(C)cc1)C1=CCOC1=O ZINC000028956311 JI Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](OC(=O)c1ccc(C)cc1)C1=CCOC1=O ZINC000028956313 JI Annotated Mild O=C1NCCCC[C@H]1N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957587 JI Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957714 JI Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1cc(F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957723 JI Annotated Anodyne COc1cccc(CN(Cc2cccc(OC)c2)c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)c1 ZINC000028963426 JI Annotated Anodyne CC1=C[C@@H]2CC3=C([C@H](C)[C@@H]2OC1=O)[C@H](O)C[C@@]1(C)[C@@H]2CC[C@@H]4C(=C[C@@]2(O)C[C@@H]31)C=CC(=O)OC4(C)C ZINC000028964453 JI Annotated Anodyne in-vitro CC1=C[C@@H]2CC3=C([C@@H](O)C[C@@]4(C)[C@@H]5CC[C@@H]6C(=C[C@@]5(O)C[C@@H]34)C=CC(=O)OC6(C)C)[C@H](C)[C@@H]2OC1=O ZINC000028964465 JI Annotated Anodyne Oc1c(I)cc(-c2nc3ccccc3o2)cc1I ZINC000028964797 JI Annotated Anodyne CCCCOC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966577 JI Annotated Anodyne CC(=O)O[C@]12CCC(C(=O)OCCC(C)C)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966581 JI Annotated Anodyne CCCCCOC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966586 JI Annotated Anodyne CC(=O)O[C@]12CCC(C(=O)OCc3ccco3)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966595 JI Annotated Anodyne COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(=O)c2ccccc2)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966640 JI Annotated Anodyne CCCCCC(=O)O[C@]12CCC(C(=O)OC)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966678 JI Annotated Anodyne O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F)N1CCCCC1 ZINC000028969342 JI Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000028969351 JI Annotated Bother C=CC(C)(C)c1[nH]c2ccc(C[C@H]3OC(C)(C)OC3(C)C)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000028972501 JI Annotated Mild CCc1c(C(=O)OC)cc2c(c1O)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O ZINC000028973487 JI Annotated Clean in-vivo Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2Cl)O1 ZINC000028974605 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cccc(Cl)c2Cl)O1 ZINC000028974611 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cccc(Cl)c2Cl)O1 ZINC000028974618 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cccc(Cl)c2Cl)O1 ZINC000028974623 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccc(Cl)cc2Cl)O1 ZINC000028974630 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccc(Cl)cc2Cl)O1 ZINC000028974635 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccc(Cl)cc2Cl)O1 ZINC000028974638 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccc(Cl)cc2Cl)O1 ZINC000028974642 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2c(Cl)cccc2Cl)O1 ZINC000028974647 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2c(Cl)cccc2Cl)O1 ZINC000028974653 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2c(Cl)cccc2Cl)O1 ZINC000028974657 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2c(Cl)cccc2Cl)O1 ZINC000028974664 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000028974669 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000028974672 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000028974677 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000028974684 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cc(Cl)cc(Cl)c2)O1 ZINC000028974690 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cc(Cl)cc(Cl)c2)O1 ZINC000028974696 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cc(Cl)cc(Cl)c2)O1 ZINC000028974701 JI Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cc(Cl)cc(Cl)c2)O1 ZINC000028974707 JI Annotated Anodyne CC(C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976062 JI Annotated Anodyne CCC(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028977947 JI Annotated Anodyne C[C@H](CCCN1CCOCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978183 JI Annotated Anodyne C[C@H](CCCn1nccn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978270 JI Annotated Anodyne C[C@H](CCCn1ccnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978276 JI Annotated Anodyne C[C@H](CCCn1cncn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978282 JI Annotated Anodyne N#Cc1ccc(-c2ccc(C(=O)NCc3ccc(NS(=O)(=O)C(F)(F)F)cc3)cc2)cc1 ZINC000028978939 JI Annotated Mild N#Cc1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979632 JI Annotated Mild N#Cc1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979639 JI Annotated Mild Cc1oc2c3c(ccc2c(=O)c1Br)C(=O)c1ccc(Br)c(O)c1C3=O ZINC000029038299 JI Annotated Clean CC[C@@H](OC)c1cnc(-c2[nH]c3ccc(Br)cc3c2S(=O)(=O)N2CCCC2)[nH]1 ZINC000029039016 JI Annotated Anodyne CC[C@H](OC)c1cnc(-c2[nH]c3ccc(Br)cc3c2S(=O)(=O)N2CCCC2)[nH]1 ZINC000029039018 JI Annotated Anodyne COc1ccc2nc(-c3[nH]c4ccc(Br)cc4c3S(=O)(=O)N3CCCC3)[nH]c2c1 ZINC000029039028 JI Annotated Anodyne O=S(=O)(c1c(-c2nc3ccc(F)cc3[nH]2)[nH]c2ccc(Br)cc12)N1CCCC1 ZINC000029039030 JI Annotated Anodyne CC(=O)c1ccc(Oc2ccc(-c3ccc(-c4cccc(C#N)c4)n3CC(=O)N=C(N)N)cc2)cc1 ZINC000029039796 JI Annotated Mild N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCN/C(O)=N/S(=O)(=O)c3ccc(F)cc3)c2c1 ZINC000029041494 JI Annotated Mild N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCN/C(O)=N/S(=O)(=O)c3ccccc3)c2c1 ZINC000029041496 JI Annotated Mild CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@@H]1CO[C@H]2[C@@H](Cl)C(=O)C(Cl)=C[C@@]2(O)C1 ZINC000029041884 JI Annotated Reactive CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O)C=C(Cl)C(=O)[C@@H](Cl)[C@H]2O[C@@H]1OC ZINC000029041933 JI Annotated Reactive CC(=O)O[C@H]1CC(C)(C)[C@@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=C(CC/C(C)=C/CO)[C@@]2(C)C1 ZINC000029042026 JI Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(O)C=C(Cl)C(=O)[C@@](Cl)(C2)[C@H]1O ZINC000029042099 JI Annotated Mild CCNc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 ZINC000029046654 JI Annotated Anodyne CCNc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 ZINC000029046657 JI Annotated Anodyne CS(=O)(=O)/N=C(\O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000029046808 JI Annotated Mild CN(C)Cc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047369 JI Annotated Anodyne CN(C)Cc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047372 JI Annotated Anodyne CCNCc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047375 JI Annotated Anodyne CCNCc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047378 JI Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCNCC2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000029050999 JI Annotated Mild COc1cc2c(cc1OCCCn1c(-c3ccco3)nc3ccccc31)NC(=O)[C@@H]1CCCN1C2=O ZINC000029052112 JI Annotated Anodyne O=C(CN1CCCCC1)Nc1cc2nc(CN3CCCCC3)[nH]c2c2c(=O)c3ccccc3oc12 ZINC000029056726 JI Annotated Bother O=P(O)(O)C(O)(CCc1ccc(-c2cccc3c2oc2ccccc23)cc1)P(=O)(O)O ZINC000029057061 JI Annotated Anodyne CC/N=c1/cc2oc3cc(NCCC(=O)N[C@H](C(=O)OC)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029057756 JI Annotated Bother CC/N=c1/cc2oc3cc(NCCC(=O)N[C@@H](C(=O)OC)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029057760 JI Annotated Bother COc1ccc(C(=O)CSc2nc(Cc3cccc(Br)c3)c(C)c(=O)[nH]2)cc1 ZINC000029058542 JI Annotated Anodyne COc1ccc(C(=O)CSc2nc(Cc3ccccc3Br)c(C)c(=O)[nH]2)cc1 ZINC000029058654 JI Annotated Anodyne CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1F ZINC000029058896 JI Annotated Anodyne CNC(=O)c1cc(Cl)cc(F)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000029058902 JI Annotated Anodyne CNC(=O)c1cc(F)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000029059078 JI Annotated Anodyne CCOC(=O)c1nn2c(O)nc3cc(Cl)c(NC(=O)Nc4ccccc4)cc3c2c1C(=O)OCC ZINC000029059727 JI Annotated Anodyne O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2ncsc2c1)N1CCCCC1 ZINC000029062742 JI Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)[C@@H]2CC#C/C=C\C#C[C@@H](OC(=O)CCc3ccc4ccccc4c3)[C@H]21 ZINC000029063008 JI Annotated Mild CC(C)(C)OC(=O)N1C(=O)[C@@H]2CC#C/C=C\C#C[C@@H](OC(=O)CCc3cccc4ccccc34)[C@H]21 ZINC000029063018 JI Annotated Mild CC(C)(C)OC(=O)N1C(=O)[C@@H]2CC#C/C=C\C#C[C@@H](OC(=O)Cc3cccc4ccccc34)[C@H]21 ZINC000029063171 JI Annotated Mild O=C1c2sccc2N(Cc2ccc(Br)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000029123985 JI Annotated Anodyne O=C1c2sccc2N(Cc2ccccc2Br)S(=O)(=O)N1Cc1ccccc1 ZINC000029124269 JI Annotated Anodyne COc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2nnc(S)n2C)cc1OC ZINC000029124416 JI Annotated Anodyne COc1cc2c(cc1OCCCN)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125330 JI Annotated Bother Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000029125362 JI Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(NC(=O)C3=Cc4ccccc4OC3)c(=O)oc3ccccc23)cc1 ZINC000029125482 JI Annotated Anodyne COc1ccccc1CC(=O)Nc1c(OS(=O)(=O)c2ccc(C)cc2)c2ccccc2oc1=O ZINC000029125864 JI Annotated Anodyne Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000029126072 JI Annotated Anodyne C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc3c(c2)Cc2ccccc2-3)cc1OC ZINC000029126516 JI Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2ccc3c(c2)Cc2ccccc2-3)cc1OC ZINC000029126517 JI Annotated Mild Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1 ZINC000029128230 JI Annotated Anodyne Cc1ccc2c(c1)nc(SCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1)n2C ZINC000029128288 JI Annotated Anodyne Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)[nH]c2c1 ZINC000029128290 JI Annotated Anodyne O=C(O)CC[C@@H]1CC(=O)N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000029128534 JI Annotated Anodyne O=C(O)CC[C@H]1CC(=O)N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000029128535 JI Annotated Anodyne COc1ccc(C(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@@H]2c2ccccc2)cc1OC ZINC000029128838 JI Annotated Mild COc1ccc(C(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@H]2c2ccccc2)cc1OC ZINC000029128839 JI Annotated Mild CO[C@@H]1CN(C[C@H]2Cc3ccc(C#N)cc3C2)CC[C@H]1n1c(C(C)(C)O)nc2cc(C)c(F)cc21 ZINC000029128928 JI Annotated Mild CO[C@@H]1CN(C[C@H]2Cc3ccc(C#N)cc3C2)CC[C@H]1n1c(C(C)(C)O)nc2cc(C)ccc21 ZINC000029128964 JI Annotated Mild COc1ccc([C@@H]2[C@@H]([C@H](O)COc3ccc(F)cc3)OC(=O)N2c2cccc(F)c2)c(O)c1 ZINC000029129148 JI Annotated Clean CCOC(=O)C1=C(N)Oc2c(ccc3[nH]ccc23)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000029130034 JI Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3[nH]ccc23)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000029130036 JI Annotated Anodyne COc1cccc(CN(C)C(=O)[C@H]2OC(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 ZINC000029130068 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCc4ccccc4C3)OC(=O)N2c2cccc(F)c2)c(O)c1 ZINC000029130072 JI Annotated Clean COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3ccc(F)cc3)OC(=O)N2c2cccc(F)c2)c(O)c1 ZINC000029130131 JI Annotated Clean COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(OC)cc2O)c1 ZINC000029130254 JI Annotated Clean Brc1cccc(N2CCN(CN3CCN(c4cccc(Br)c4)C3)C2)c1 ZINC000029132088 JI Annotated Anodyne COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N\Nc1ccccn1 ZINC000029133307 JI Annotated Mild Cc1cccc(CCc2ccc3nc(NC4CCN(CCN)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134035 JI Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc([C@@H](O)c4ccccc4)cc32)n1 ZINC000029134401 JI Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc([C@H](O)c4ccccc4)cc32)n1 ZINC000029134403 JI Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN2CCOCC2)c1=O ZINC000029207810 JI Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C[C@H](O)CNC(C)C)c1=O ZINC000029210091 JI Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C[C@@H](O)CNC(C)C)c1=O ZINC000029210096 JI Annotated Anodyne O=C1c2cc(Br)ccc2[C@@H]2[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]2c2ccc(Br)cc21 ZINC000029211478 JI Annotated Anodyne C=CCN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)OC[C@H]1C ZINC000029214211 JI Annotated Mild CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\[C@@H]1CCC[n+]2c1sc1ccccc12 ZINC000029214733 JI Annotated Anodyne CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\[C@H]1CCC[n+]2c1sc1ccccc12 ZINC000029214738 JI Annotated Anodyne CCOC(=O)Oc1cc2ccc(S[C@@H]3SC(=O)NC3=O)cc2cc1OC(=O)OCC ZINC000029215460 JI Annotated Anodyne CCOC(=O)Oc1cc2ccc(S[C@H]3SC(=O)NC3=O)cc2cc1OC(=O)OCC ZINC000029215465 JI Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(CC4CC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000029215560 JI Annotated Mild O=C1CN2CCCC[C@H]2c2c1c1ccccc1n2CCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000029216691 JI Annotated Anodyne O=C1CN2CCCC[C@@H]2c2c1c1ccccc1n2CCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000029216695 JI Annotated Anodyne CCCC(=O)O[C@@H](CC)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 ZINC000029233226 JI Annotated Anodyne CCCC(=O)O[C@H](CC)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 ZINC000029233232 JI Annotated Anodyne CCC(=O)O[C@H](c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1)C(C)C ZINC000029247589 JI Annotated Anodyne CCC(=O)O[C@@H](c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1)C(C)C ZINC000029247594 JI Annotated Anodyne COc1cc2c(cc1OC)-c1cc(N(CP(C)(C)=O)c3c(F)cccc3F)nc(=O)n1CC2 ZINC000029306750 JI Annotated Anodyne CC(C)CN1C[C@](O)([C@H](CC2CCCCC2)NC(=O)CC(C)(C)C)C[C@H]1C(=O)NC(C)(C)C ZINC000029307516 JI Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)CCCCCC(=S)N[C@H](c1nc(NC(C)=O)no1)CSC2 ZINC000029313315 JI Annotated Anodyne COc1ccc(CCSCCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000029318944 JI Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)CCCCC/C(S)=N/[C@H](c1nc(CO)no1)CSC2 ZINC000029323283 JI Annotated Anodyne CSc1nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c(-c2ccccc2[N+](=O)[O-])n1 ZINC000029323648 JI Annotated Bother COC(=O)C[C@@H](O)C[P@](=O)(O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1 ZINC000029328485 JI Annotated Anodyne COC(=O)C[C@H](O)C[P@](=O)(O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1 ZINC000029328489 JI Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1cc(C(Br)Br)cc(OC)c1C2=O ZINC000029335778 JI Annotated Reactive O=c1[nH]c2cc(C(F)(F)F)ccc2c(Cc2ccccc2)c1NS(=O)(=O)C(F)(F)F ZINC000029337411 JI Annotated Anodyne CC1=CSCC(=O)N1[C@@H]1C[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O1 ZINC000029341182 JI Annotated Anodyne CC1=CSCC(=O)N1[C@H]1C[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O1 ZINC000029341186 JI Annotated Anodyne CC1=CSCC(=O)N1[C@@H]1C[C@@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O1 ZINC000029341190 JI Annotated Anodyne CC1=CSCC(=O)N1[C@H]1C[C@@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O1 ZINC000029341194 JI Annotated Anodyne COc1ccccc1Cc1c(NS(=O)(=O)C(F)(F)F)c(=O)[nH]c2cc(C(F)(F)F)ccc12 ZINC000029343398 JI Annotated Anodyne CN(C)c1ccccc1CC(=O)N1C[C@@H]2[C@H](C1)[C@@H](O)CSC2(c1ccccc1)c1ccccc1 ZINC000029343909 JI Annotated Anodyne O=c1[nH]c2cc(C(F)(F)F)ccc2c(Cc2ccccc2O)c1NS(=O)(=O)C(F)(F)F ZINC000029344351 JI Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN3CCCC3)c2)c(Cl)c1Cl ZINC000029348102 JI Annotated Clean O=C(NC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029390817 JI Annotated Anodyne O=C(NC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029390820 JI Annotated Anodyne COc1cc2c(cc1SC(C)=O)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)[C@@H](C)OC(C)=O)C2 ZINC000029395358 JI Annotated Anodyne COc1cc2c(cc1SC(C)=O)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)[C@H](C)OC(C)=O)C2 ZINC000029395361 JI Annotated Anodyne CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(C)cc3nc12 ZINC000029398229 JI Annotated Clean CC(=O)O[C@H]1/C(=C/C[C@]2(C)[C@@H]3CCC[C@@]4(CO4)[C@@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000029400578 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000029400582 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@]2(C)[C@@H]3CCC[C@@]4(CO4)[C@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000029400585 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000029400589 JI Annotated Anodyne C[N+](C)(C)CC(=O)c1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O ZINC000029403702 JI Annotated Mild O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN([C@@H]1C[C@H]3CC[C@@H]1C3)C2=O)c1ccccc1 ZINC000029410718 JI Annotated Anodyne O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN([C@H]1C[C@H]3CC[C@@H]1C3)C2=O)c1ccccc1 ZINC000029410721 JI Annotated Anodyne C[N+](C)(C)CCC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O ZINC000029412156 JI Annotated Bother COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OC4(CCCC4)O5)CC3)OC2=O)cc1 ZINC000029412551 JI Annotated Anodyne O=C1c2c(c(=O)n3nc(-c4ccc(O)cc4)cc3n2Cc2ccccc2)CN1C1CCCCC1 ZINC000029413633 JI Annotated Anodyne N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)Nc1ccc(I)cc1 ZINC000029416687 JI Annotated Anodyne COc1ccc(C(=O)Cn2c3c(c(=O)n4nc(-c5ccccc5)cc24)CN(C2CCCCC2)C3=O)cc1 ZINC000029416746 JI Annotated Anodyne O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2C[C@H](O)c2ccccc2)CN1C1CCCCC1 ZINC000029465994 JI Annotated Anodyne O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2C[C@@H](O)c2ccccc2)CN1C1CCCCC1 ZINC000029465997 JI Annotated Anodyne NC(=O)N1C(=O)/C(=C(\OC(=O)c2cccc(C(=O)O)c2)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029476668 JI Annotated Anodyne CCOC(OCC)C(=O)NC1CCN(C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000029480128 JI Annotated Anodyne CCOC(=O)O[C@@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029480651 JI Annotated Anodyne CCOC(=O)O[C@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029480654 JI Annotated Anodyne CONC(=O)[C@]12CN(C(=O)Cc3ccccc3OC)C[C@H]1[C@@]1(c3ccccc3)CC[C@@H]2c2ccccc21 ZINC000029481991 JI Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2cccc(O)c21 ZINC000029482524 JI Annotated Anodyne CC(C)(C)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029482996 JI Annotated Anodyne CO[C@@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CCS(C)(=O)=O ZINC000029487222 JI Annotated Anodyne CO[C@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CCS(C)(=O)=O ZINC000029487225 JI Annotated Anodyne CO[C@]12CC[C@@]3(C)[C@H](CCC[C@@]3([C@H](O)C[C@@H](CCOC(=O)c3ccccc3)CN(C)C)O1)C2 ZINC000029487487 JI Annotated Anodyne Cc1nc(-c2ccc(C#N)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F ZINC000029489933 JI Annotated Mild C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029544224 JI Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029544833 JI Annotated Anodyne COc1cc(C)cc2c1[C@H](C1CCN(C(=O)Cc3cc[n+]([O-])cc3)CC1)c1ncc(C)cc1CC2 ZINC000029546134 JI Annotated Anodyne COc1cc(C)cc2c1[C@@H](C1CCN(C(=O)Cc3cc[n+]([O-])cc3)CC1)c1ncc(C)cc1CC2 ZINC000029546137 JI Annotated Anodyne CCc1cnc2c(c1)CCc1cc(C)cc(OC)c1[C@@H]2C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1 ZINC000029546893 JI Annotated Anodyne CCc1cnc2c(c1)CCc1cc(C)cc(OC)c1[C@H]2C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1 ZINC000029546896 JI Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3ccc(C#N)cc3)[C@@H](Cc3ccc(O)cc3)C(N)=O)no2)cc1 ZINC000029549321 JI Annotated Mild Cc1ccc(-c2cc(CN(Cc3ccc(C#N)cc3)[C@H](Cc3ccc(O)cc3)C(N)=O)no2)cc1 ZINC000029549325 JI Annotated Mild C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029550960 JI Annotated Anodyne C=Cc1cnc2c(c1)CCc1cc(C)cc(OC)c1[C@@H]2C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1 ZINC000029551402 JI Annotated Anodyne C=Cc1cnc2c(c1)CCc1cc(C)cc(OC)c1[C@H]2C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1 ZINC000029551406 JI Annotated Anodyne CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1 ZINC000029552097 JI Annotated Clean O=C1CNC(=O)N1CCCCCCN1CCc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1 ZINC000029556009 JI Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3cccc(Br)c3)[C@@H](CCCCN)C(N)=O)no2)cc1 ZINC000029557414 JI Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3cccc(Br)c3)[C@H](CCCCN)C(N)=O)no2)cc1 ZINC000029557418 JI Annotated Anodyne C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000029558643 JI Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3cccc(Br)c3)[C@@H](Cc3c[nH]cn3)C(N)=O)no2)cc1 ZINC000029564314 JI Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3cccc(Br)c3)[C@H](Cc3c[nH]cn3)C(N)=O)no2)cc1 ZINC000029564318 JI Annotated Anodyne CCN1CCC[C@@H](Nc2nc(/N=C(\N)Nc3ccc(Cl)cc3)nc(C(Cl)(Cl)Cl)n2)C1 ZINC000029564743 JI Annotated Mild CCN1CCC[C@H](Nc2nc(/N=C(\N)Nc3ccc(Cl)cc3)nc(C(Cl)(Cl)Cl)n2)C1 ZINC000029564746 JI Annotated Mild O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000029566782 JI Annotated Reactive O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000029566786 JI Annotated Reactive CC1(C)Oc2cc(-c3ncco3)c(-c3ncco3)cc2[C@@H](/N=C(\NC#N)Nc2ccccc2)[C@@H]1O ZINC000029569262 JI Annotated Mild COc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccccc4)[C@H]2O3)cc1 ZINC000299806074 JI Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccccc4)[C@H]2O3)cc1 ZINC000299806075 JI Annotated Anodyne CC[C@H](C)C[C@H](C)/C=C(\C)[C@H]1O[C@H](c2c(O)c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000299806085 JI Annotated Anodyne CC[C@]12CCC[N@+]3([O-])C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 ZINC000299806686 JI Annotated Reactive CC[C@]12CCC[N@@+]3([O-])C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 ZINC000299806687 JI Annotated Reactive CC(C)CN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)c1ccccc1 ZINC000299806859 JI Annotated Anodyne CC(C)CN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1)c1ccccc1 ZINC000299806860 JI Annotated Anodyne CC(C)CN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)c1ccccc1 ZINC000299806861 JI Annotated Anodyne CN1CC[C@](O)(c2ccc(Br)cc2)[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000299807444 JI Annotated Anodyne CN1CC[C@](O)(c2ccc(Br)cc2)[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000299807445 JI Annotated Anodyne Cc1ccc2c(c1)NC[C@]21CCN(C[C@@H](O)C2CCN(c3ccnc(Cl)c3)CC2)C[C@H]1C ZINC000299807688 JI Annotated Anodyne COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000299810805 JI Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CN3CC[C@H]2C3)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000299810831 JI Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CN3CC[C@H]2C3)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299810832 JI Annotated Mild CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@]1(C)C(=O)C1=C(O)CNC1=O ZINC000299811071 JI Annotated Mild CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@]1(C)C(=O)C1=C(O)CNC1=O ZINC000299811072 JI Annotated Mild CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@]1(C)C(=O)C1=C(O)CNC1=O ZINC000299811073 JI Annotated Mild CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCCCC2)[C@H]1c1ccccc1 ZINC000299811479 JI Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCCCC2)[C@H]1c1ccccc1 ZINC000299811480 JI Annotated Anodyne COc1ccc([C@@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3S[C@H](C)C(=O)N32)cc1OC ZINC000299811643 JI Annotated Anodyne CCN1CCN(CCN2CC[C@]3(N(C)C)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000299812156 JI Annotated Anodyne C[C@@H]1CC(C)(C)N[C@H](C[C@@H](O[P@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 ZINC000299812702 JI Annotated Reactive C[C@@H]1CC(C)(C)N[C@H](C[C@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 ZINC000299812703 JI Annotated Reactive CCc1ccccc1N=C(S)N=Nc1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000299812995 JI Annotated Mild Cc1ccc(NC(=S)N=Nc2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1C ZINC000299813039 JI Annotated Clean C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@@H]1C[C@@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]21C ZINC000299813162 JI Annotated Mild C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@@H]1C[C@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]21C ZINC000299813163 JI Annotated Mild C[C@H](C(=O)N=Nc1c(O)n(C)c2ccc(Br)cc12)n1cnc2ccccc2c1=O ZINC000299813205 JI Annotated Clean C[C@@H](C(=O)N=Nc1c(O)n(C)c2ccc(Br)cc12)n1cnc2ccccc2c1=O ZINC000299813206 JI Annotated Clean CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000299813965 JI Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000299813966 JI Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000299813967 JI Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000299813968 JI Annotated Mild CN1CCN(CCC(=O)O[C@@H]2C[C@@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299814033 JI Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2C[C@@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299814034 JI Annotated Anodyne CC(=O)N(O)CCC[P@](=O)(O[C@@H](C)OC(=O)OC(C)(C)C)O[C@H](C)OC(=O)OC(C)(C)C ZINC000299814127 JI Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@]1(C(=O)O)c1ccccc12 ZINC000299814292 JI Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@H]2[C@@]2(C(=O)O)C[C@H]1c1ccccc12 ZINC000299814293 JI Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1[C@@H]2[C@H]2C[C@@]1(C(=O)O)c1ccccc12 ZINC000299814294 JI Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@]1(C(=O)O)c1ccccc12 ZINC000299814295 JI Annotated Anodyne CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)/C1=N/O ZINC000299814454 JI Annotated Reactive CN(C)c1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23Cc2ccccc2C3=O)cc1 ZINC000299814761 JI Annotated Clean CN(C)c1ccc([C@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23Cc2ccccc2C3=O)cc1 ZINC000299814762 JI Annotated Clean CC(C)(C)C(=O)ON1N=N[C@H]2[C@H]1[C@@H]1O[C@@H]2CC1(OCc1ccccc1)OCc1ccccc1 ZINC000299814912 JI Annotated Mild CC(C)(C)C(=O)ON1N=N[C@@H]2[C@H]1[C@@H]1O[C@@H]2CC1(OCc1ccccc1)OCc1ccccc1 ZINC000299814913 JI Annotated Mild Cc1ccc(Sc2ccccc2[C@@]23O[C@@](C)([C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]42)N(C)C3=O)cc1 ZINC000299814924 JI Annotated Anodyne Cc1ccc(Sc2ccccc2[C@@]23O[C@@](C)([C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]42)N(C)C3=O)cc1 ZINC000299814925 JI Annotated Anodyne Cc1ccc(Sc2ccccc2[C@@]23O[C@@](C)([C@@H]4C(=O)N(c5ccccc5)C(=O)[C@H]42)N(C)C3=O)cc1 ZINC000299814926 JI Annotated Anodyne CC[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@H]12)c1ccc(Cl)cc1 ZINC000299815114 JI Annotated Bother CC[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@@H]12)c1ccc(Cl)cc1 ZINC000299815116 JI Annotated Bother CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@@H]12)c1ccc(Cl)cc1 ZINC000299815118 JI Annotated Bother CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@H]12)c1ccc(Cl)cc1 ZINC000299815121 JI Annotated Bother CCCCCCCCCCO[C@@H]1[C@H]([C@H](O)CNCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000299816227 JI Annotated Mild CCCCCCCCCCO[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2O[C@H]1[C@H](O)CNCCCN(C)C ZINC000299816228 JI Annotated Mild CCCCCCCCCCO[C@@H]1[C@H]([C@H](O)CNCCCN(C)C)O[C@H]2OC3(CCCCC3)O[C@@H]21 ZINC000299816229 JI Annotated Mild CCCCCCCCCCO[C@@H]1[C@H]([C@H](O)CNCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000299816230 JI Annotated Mild CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C/C=C/[C@@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C ZINC000299817978 JI Annotated Anodyne CC1=C[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@H]2[C@@H]1/C=C/C=C/C=C/C=C/[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C ZINC000299817979 JI Annotated Anodyne Cc1ccc(N=c2[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)nc(=Nc3ccccc3)[nH]2)c(C)c1 ZINC000299817998 JI Annotated Mild O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000299818572 JI Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000299818575 JI Annotated Anodyne OCc1nn2c3c(cnc2c1-c1ccc(C(F)(F)F)nc1)CN[C@]3(Cc1cccc(F)c1)C1CC1 ZINC000299818928 JI Annotated Anodyne COc1cc(-c2nnc(CSc3nnc(/N=C/c4ccccc4O)s3)o2)cc(OC)c1OC ZINC000299819044 JI Annotated Mild O=C(CCCCNC(=O)c1ccc(-c2ccc(O)c(C(=O)O)c2)s1)NCc1ccccc1 ZINC000299819220 JI Annotated Anodyne CCOC(=O)c1c2c(O)nnc(-c3cc(OC)c(OC)c(OC)c3)c2n2cc(C)cc(C)c12 ZINC000299819314 JI Annotated Anodyne COC1=CC(=O)c2c(c(CSc3ccc(I)cc3)c(C)n2C)C1=O ZINC000299820068 JI Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccccc2F)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299820207 JI Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccccc2F)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299820210 JI Annotated Mild COc1cc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1C ZINC000299820745 JI Annotated Anodyne COc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1C ZINC000299820752 JI Annotated Anodyne COc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1F ZINC000299821090 JI Annotated Anodyne COc1cc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1F ZINC000299821093 JI Annotated Anodyne O=C(CSc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000299821292 JI Annotated Bother N#Cc1ccc(OCC2CN(c3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)C2)cc1 ZINC000299821463 JI Annotated Mild COc1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C ZINC000299821711 JI Annotated Anodyne COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C ZINC000299821714 JI Annotated Anodyne C[C@@]1(c2ccc(O)cc2)O[C@@H]2N3[C@H]1O[C@](C)(c1ccc(O)cc1)[C@@H]3O[C@@]2(C)c1ccc(O)cc1 ZINC000299821896 JI Annotated Anodyne C[C@@]1(c2ccc(O)cc2)O[C@@H]2N3[C@H]1O[C@](C)(c1ccc(O)cc1)[C@@H]3O[C@]2(C)c1ccc(O)cc1 ZINC000299822116 JI Annotated Anodyne C[C@@]1(c2ccc(O)cc2)O[C@@H]2N3[C@H]1O[C@@](C)(c1ccc(O)cc1)[C@@H]3O[C@@]2(C)c1ccc(O)cc1 ZINC000299822120 JI Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1[C@@H]2[C@@]3(C)CCC(=O)C[C@@H]3CC[C@]23O[C@@]32CC[C@H](C(C)=O)[C@@]2(C)[C@@H]1OC(C)=O ZINC000299822259 JI Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1[C@@H]2[C@@]3(C)CCC(=O)C[C@@H]3CC[C@]23O[C@@]32CC[C@H](C(C)=O)[C@@]2(C)[C@@H]1OC(C)=O ZINC000299822263 JI Annotated Anodyne O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3SC[C@@H]12)c1ccc(Cl)s1 ZINC000299822645 JI Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(C(=O)[C@@H](C)CC)c3c(c2O)[C@H]2O[C@@H]2C(C)(C)O3)c(O)c1C ZINC000299822890 JI Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(C(=O)[C@@H](C)CC)c3c(c2O)[C@@H]2O[C@@H]2C(C)(C)O3)c(O)c1C ZINC000299822891 JI Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(C(=O)[C@@H](C)CC)c3c(c2O)[C@H]2O[C@H]2C(C)(C)O3)c(O)c1C ZINC000299822892 JI Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(C(=O)[C@@H](C)CC)c3c(c2O)[C@@H]2O[C@H]2C(C)(C)O3)c(O)c1C ZINC000299822893 JI Annotated Anodyne O=c1ccc2ncc(F)cc2n1CCN1CCC(c2nc3cc(C(F)(F)F)ccc3[nH]2)CC1 ZINC000299823797 JI Annotated Anodyne COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2C)ccc1-c1cnnc(C)c1 ZINC000299823803 JI Annotated Anodyne CC(C)NC(=N)c1ccc(/N=C2\c3ccccc3CN2c2ccc(C(=N)NC(C)C)cn2)nc1 ZINC000299824498 JI Annotated Mild CCCCNC(=O)[C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C(=O)[C@@H]1O2 ZINC000299824797 JI Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c2c(C)cc(C)cn2c1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000299825039 JI Annotated Anodyne COc1ccc2cc(-c3nc(O)c4cc(C(=O)Nc5ccccc5OC)sc4n3)c(=O)oc2c1 ZINC000299825081 JI Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@@H](C)CC(=O)N3Cc2cc(F)ccc2F)ccc1-n1cnc(C)c1 ZINC000299825116 JI Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](C)CC(=O)N3Cc2cc(F)ccc2F)ccc1-n1cnc(C)c1 ZINC000299825124 JI Annotated Anodyne COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1CC=C(C)C ZINC000299825265 JI Annotated Bother COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2C)ccc1-c1cnc(C)nc1 ZINC000299825288 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccco1)C(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000299825362 JI Annotated Anodyne COc1cc2c(cc1F)-n1cccc1C1(CCN(C(=O)c3ccc(OC)c(N(C)C)c3)CC1)N2 ZINC000299825729 JI Annotated Anodyne Cc1ccccc1N(Cc1cn(CC(=O)c2ccccc2)nn1)C1=CC(=O)c2ccccc2C1=O ZINC000299825746 JI Annotated Mild C[C@@]1(c2ccccc2O)O[C@@H]2N3[C@H]1O[C@](C)(c1ccccc1O)[C@@H]3O[C@@]2(C)c1ccccc1O ZINC000299825762 JI Annotated Anodyne C[C@@]1(c2ccccc2O)O[C@@H]2N3[C@H]1O[C@](C)(c1ccccc1O)[C@@H]3O[C@]2(C)c1ccccc1O ZINC000299825770 JI Annotated Anodyne C[C@@]1(c2ccccc2O)O[C@@H]2N3[C@H]1O[C@@](C)(c1ccccc1O)[C@@H]3O[C@@]2(C)c1ccccc1O ZINC000299825774 JI Annotated Anodyne COc1ccc(/C=C\C(=O)O)c(OCc2cn(C[C@@H](O)c3ccccc3)nn2)c1CC=C(C)C ZINC000299825804 JI Annotated Anodyne COc1ccc(/C=C\C(=O)O)c(OCc2cn(C[C@H](O)c3ccccc3)nn2)c1CC=C(C)C ZINC000299825808 JI Annotated Anodyne CCOC(=O)C1=C(Nc2cc(C)cc(C)c2)C(=O)N(c2cc(C)cc(C)c2)[C@H]1C(=O)OCC ZINC000299826608 JI Annotated Anodyne CCOC(=O)C1=C(Nc2cc(C)cc(C)c2)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1C(=O)OCC ZINC000299826622 JI Annotated Anodyne CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)cc3)ccc21 ZINC000299826853 JI Annotated Anodyne C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@H]1OCC3=C4CC(C)(C)[C@H](O)[C@H]4[C@@H](C)CC[C@]31O)c1ccc(O)nc1C2 ZINC000299827132 JI Annotated Anodyne C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@@H]1OCC3=C4CC(C)(C)[C@H](O)[C@H]4[C@@H](C)CC[C@]31O)c1ccc(O)nc1C2 ZINC000299827138 JI Annotated Anodyne C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@@H]1OCC3=C4CC(C)(C)[C@H](O)[C@H]4[C@@H](C)CC[C@@]31O)c1ccc(O)nc1C2 ZINC000299827140 JI Annotated Anodyne C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@H]1OCC3=C4CC(C)(C)[C@H](O)[C@H]4[C@@H](C)CC[C@@]31O)c1ccc(O)nc1C2 ZINC000299827144 JI Annotated Anodyne C=C1[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO ZINC000299827349 JI Annotated Mild CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cc2)C2CC2)C1 ZINC000299827508 JI Annotated Anodyne CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2Br)n2ccc(OC)cc12 ZINC000299827881 JI Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(CC)cc2)C(=O)N(c2ccc(CC)cc2)[C@H]1C(=O)OCC ZINC000299827887 JI Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(CC)cc2)C(=O)N(c2ccc(CC)cc2)[C@@H]1C(=O)OCC ZINC000299827888 JI Annotated Anodyne O=S(=O)(CCCNCCNc1cccc2ccccc12)NCCNc1cccc2ccccc12 ZINC000299827944 JI Annotated Anodyne Cc1ccc(N(Cc2cn(CC(=O)c3ccccc3)nn2)C2=CC(=O)c3ccccc3C2=O)cc1 ZINC000299828158 JI Annotated Mild COc1ccc2c(c1)N[C@@]1(CCN(C(=O)c3ccc(OC)c(N(C)C)c3)C[C@@H]1C)c1cccn1-2 ZINC000299828593 JI Annotated Anodyne O=C1C=C(NCc2ccc(Br)cc2)C(=O)C=C1NCc1ccc(Br)cc1 ZINC000299828798 JI Annotated Mild C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@@H]1OCC3=C4CC(C)(C)C[C@H]4[C@@H](C)[C@H](O)C[C@]31O)c1ccc(O)nc1C2 ZINC000299828906 JI Annotated Anodyne C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@H]1OCC3=C4CC(C)(C)C[C@H]4[C@@H](C)[C@H](O)C[C@]31O)c1ccc(O)nc1C2 ZINC000299828907 JI Annotated Anodyne C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@H]1OCC3=C4CC(C)(C)C[C@H]4[C@@H](C)[C@H](O)C[C@@]31O)c1ccc(O)nc1C2 ZINC000299828908 JI Annotated Anodyne C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@@H]1OCC3=C4CC(C)(C)C[C@H]4[C@@H](C)[C@H](O)C[C@@]31O)c1ccc(O)nc1C2 ZINC000299828909 JI Annotated Anodyne CCCCC[C@@H](/C=C/[C@H]1[C@H](OC(C)=O)C[C@H](O)[C@@H]1/C=C/CCCCC(=O)OC)OC(C)=O ZINC000299828965 JI Annotated Anodyne CC(=O)n1c2cccc(I)c2c2cc(-c3ccc([N+](=O)[O-])cc3)nnc21 ZINC000299829007 JI Annotated Bother O=C(C[C@@H]1CCN(CC2CC2)C[C@@H]1[C@H]1CC(c2ccccc2Cl)=NO1)NCCc1ccccn1 ZINC000299829374 JI Annotated Anodyne COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3ccc4c(c3)OCO4)nn2)c1CC=C(C)C ZINC000299829718 JI Annotated Anodyne COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3ccc(NC(C)=O)cc3)nn2)c1CC=C(C)C ZINC000299830485 JI Annotated Anodyne CCOC(=O)C1=C(Nc2cccc(Cl)c2)C(=O)N(c2cccc(Cl)c2)[C@@H]1C(=O)OCC ZINC000299831003 JI Annotated Anodyne CCOC(=O)C1=C(Nc2cccc(Cl)c2)C(=O)N(c2cccc(Cl)c2)[C@H]1C(=O)OCC ZINC000299831006 JI Annotated Anodyne COc1ccc(O[C@@H]([C@H](CO)N=[N+]=[N-])[C@H](Oc2ccc(OC)cc2)c2cnc3cc(C)nn3c2)cc1 ZINC000299831899 JI Annotated Clean CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNc4ccccc4Cl)[C@H](CC[C@@H]21)[C@H]3O ZINC000299832244 JI Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNc4ccccc4Cl)[C@H](CC[C@@H]21)[C@H]3O ZINC000299832247 JI Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNc4ccc(Cl)cc4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299832319 JI Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNc4ccc(Cl)cc4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299832322 JI Annotated Anodyne COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2C)ccc1-c1ccc(C)nn1 ZINC000299833490 JI Annotated Anodyne COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(OC)c(OC)c1Cl)[C@@H]23 ZINC000299833813 JI Annotated Anodyne COc1ccc(N(CC(=O)NCCCSc2ccccc2)C(=O)C#Cc2ccccc2)cc1 ZINC000299834131 JI Annotated Mild COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2C)ccc1-c1cc(C)cnn1 ZINC000299834247 JI Annotated Anodyne COc1cc(Nc2nc3n(n2)C2(CC2)CC(=O)N3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000299834252 JI Annotated Anodyne N#Cc1ccc2[nH]c(C3CCN(CCn4c(=O)ccc5ncc(Oc6cccnc6)cc54)CC3)nc2c1 ZINC000299835412 JI Annotated Mild COc1cc(Nc2nc3n(n2)C(C)(C)CC(=O)N3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000299835453 JI Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](c2ccccc2)CCN3CC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299835467 JI Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@@H](c2ccccc2)CCN3CC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299835469 JI Annotated Anodyne N#Cc1ccc([C@H]2C3=C(CCC3=O)N(c3cccc(C(F)(F)F)c3)C(=O)N2CC(=O)N2CCC2)cc1 ZINC000299835812 JI Annotated Mild N#Cc1ccc([C@@H]2C3=C(CCC3=O)N(c3cccc(C(F)(F)F)c3)C(=O)N2CC(=O)N2CCC2)cc1 ZINC000299835813 JI Annotated Mild CC(C)CCn1c(=O)c2c3c(cnc2n(CCC(C)C)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299836031 JI Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)c2ccccn2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299836083 JI Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccccn2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299836084 JI Annotated Mild COc1c(C)c(O)c(C(C)=O)c2c1[C@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)C[C@@]13CO3)O2 ZINC000299836258 JI Annotated Anodyne COc1c(C)c(O)c(C(C)=O)c2c1[C@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)C[C@]13CO3)O2 ZINC000299836261 JI Annotated Anodyne C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2cccc(F)c2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299836306 JI Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2cccc(F)c2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299836307 JI Annotated Mild COC(=O)CCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@@H](O)CCC(=O)[C@H]13 ZINC000299837598 JI Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c(OC)c1OC ZINC000299837795 JI Annotated Bother COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c(OC)c1OC ZINC000299837796 JI Annotated Bother C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000299838288 JI Annotated Mild C[C@@]1(c2ccccc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299838609 JI Annotated Mild C[C@]1(c2ccccc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299838611 JI Annotated Mild CCN(CC)CCn1c(NC(=O)c2ccc(Cn3nc(C#N)c(Cl)c3C)o2)nc2ccccc21 ZINC000299838627 JI Annotated Mild COc1cc(/C=C/c2nnc(NC(=O)c3cccc(O)c3)s2)c(Br)c(OC)c1OC ZINC000299838768 JI Annotated Anodyne CCCCCn1c(=O)c2c3c(cnc2n(CCCCC)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299838869 JI Annotated Mild CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C(C)(C)C(F)(F)F)n2)c1O ZINC000299838957 JI Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc(OC)c1OC ZINC000299839065 JI Annotated Bother COc1cc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc(OC)c1OC ZINC000299839068 JI Annotated Bother O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccc(OC(F)(F)F)c1 ZINC000299839261 JI Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccc(OC(F)(F)F)c1 ZINC000299839263 JI Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@H](Nc3ccccc3)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000299839910 JI Annotated Anodyne CCCCOC(=O)c1cccc(CC(=O)N2CCNc3nc(C(F)(F)F)ccc3[C@H]2CC(=O)O)c1 ZINC000299840144 JI Annotated Anodyne CCCCC(=O)Oc1cccc(CC(=O)N2CCNc3nc(C(F)(F)F)ccc3[C@H]2CC(=O)O)c1 ZINC000299840783 JI Annotated Anodyne COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccccc3I)c[n+]12 ZINC000299844760 JI Annotated Bother CCN(CC)C(=O)CN[C@H]1C[C@@]2(N3CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299845052 JI Annotated Anodyne CCN(CC)C(=O)CN[C@@H]1C[C@@]2(N3CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299845054 JI Annotated Anodyne C[C@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@H]2O[C@]23CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000299845129 JI Annotated Mild C[C@H](c1ccc2c(c1)CC[C@@H]1[C@H]2C[C@H]2O[C@]23CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000299845130 JI Annotated Mild CCN(CC)CC(=O)N[C@H]1C[C@@]2(N3CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299845305 JI Annotated Anodyne CCN(CC)CC(=O)N[C@@H]1C[C@@]2(N3CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299845307 JI Annotated Anodyne O=C(OCC(F)(F)F)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCC(F)(F)F)[C@H]1c1ccc(O)cc1 ZINC000299845310 JI Annotated Anodyne CSCCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCCSC)[C@H]1c1ccc(O)cc1 ZINC000299845336 JI Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(C)cc3)CC(=O)[C@@H](C)[C@H]2c2ccc(C)cc2)CC1 ZINC000299846430 JI Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(C)cc3)CC(=O)[C@H](C)[C@H]2c2ccc(C)cc2)CC1 ZINC000299846432 JI Annotated Anodyne C=CCN1C[C@@H]2[C@@H]3CN(CC=C)[C@@H]4C[C@]3(C(=O)Cc3ccccc3)[C@@H]1C[C@]24C(=O)Cc1ccccc1 ZINC000299846508 JI Annotated Mild O=NN(CCCl)C(=O)N[C@@H]1CC[C@@H](C[C@@H]2CC[C@@H](NC(=O)N(CCCl)N=O)CC2)CC1 ZINC000299846525 JI Annotated Reactive COc1ccc(/C=N/OCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1OC ZINC000299846922 JI Annotated Mild CCN1C[C@@H]2[C@@H]3CN(CC)[C@@H]4C[C@]3(C(=O)Cc3ccccc3)[C@@H]1C[C@]24C(=O)Cc1ccccc1 ZINC000299846968 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccccc3)N(C(C)=O)[C@@H](c3ccccc3)[C@H]2C)S1 ZINC000299847400 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccccc3)N(C(C)=O)[C@H](c3ccccc3)[C@@H]2C)S1 ZINC000299847403 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccccc3)N(C(C)=O)[C@H](c3ccccc3)[C@H]2C)S1 ZINC000299847405 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3COC(=O)C3)[C@]12C ZINC000299847443 JI Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@@H](c3ccc(C)cc3)N(C(C)=O)[C@@H](c3ccc(C)cc3)C2)S1 ZINC000299847698 JI Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(N)=O)CC1 ZINC000299847930 JI Annotated Anodyne COC1=C2C(C)(C)C(=O)[C@H]3O[C@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]2(C)C1=O ZINC000299848528 JI Annotated Mild CC(=O)OC1=C2C(C)(C)C(=O)[C@H]3O[C@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]2(C)C1=O ZINC000299849025 JI Annotated Mild CC[N@+]1(C)CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000299849243 JI Annotated Bother CC[N@+]1(C)CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000299849245 JI Annotated Bother CC[N@@+]1(C)CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000299849247 JI Annotated Bother CC[N@@+]1(C)CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000299849248 JI Annotated Bother O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1)c1nnc(Nc2ccc(F)c(F)c2)o1 ZINC000299849275 JI Annotated Anodyne O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1ccc(Br)cc1 ZINC000299849292 JI Annotated Bother O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccc(Br)cc1 ZINC000299849294 JI Annotated Bother CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(F)c(F)c2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849298 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(F)c(F)c2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849299 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849356 JI Annotated Clean CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849358 JI Annotated Clean CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(F)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849369 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(F)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849370 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(F)c2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849768 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(F)c2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849769 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849897 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(OC)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849901 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2F)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849929 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2F)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849930 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(OC)c2OC)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849940 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(OC)c2OC)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849941 JI Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(C#N)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849947 JI Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(C#N)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849948 JI Annotated Mild Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccccc3F)CC2)n1 ZINC000299850597 JI Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)CCc1ccccc1)C2(C)C ZINC000299851832 JI Annotated Mild CCOc1ccc(-c2nc(NC(=O)[C@H](C)N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299851964 JI Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000299852209 JI Annotated Mild Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(C#N)cc3F)CC2)n1 ZINC000299852763 JI Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)Cc1ccccc1)C2(C)C ZINC000299852846 JI Annotated Mild C=C[C@@]1(C)C[C@@H](OC(=O)CS[C@H]2CN3CC[C@H]2C3)[C@@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@@H]32)[C@@H](C)[C@@H]1O ZINC000299853644 JI Annotated Mild C=C[C@@]1(C)C[C@@H](OC(=O)CS[C@@H]2CN3CC[C@H]2C3)[C@@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299853645 JI Annotated Mild C=C[C@@]1(C)C[C@@H](OC(=O)CS[C@@H]2CN3CC[C@H]2C3)[C@@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@@H]32)[C@@H](C)[C@@H]1O ZINC000299853646 JI Annotated Mild C=C[C@@]1(C)C[C@@H](OC(=O)CS[C@H]2CN3CC[C@H]2C3)[C@@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299853647 JI Annotated Mild Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc4ccc(C(F)(F)F)cc24)C3=O)cn1 ZINC000299854682 JI Annotated Anodyne CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(-c3noc(C(F)(F)F)n3)cc12 ZINC000299854748 JI Annotated Anodyne C/C(=N/NC(=O)c1sc2c(c1N)CCCC2)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000299855231 JI Annotated Reactive C[C@H](N[P@](=O)(Oc1cccc2ccccc12)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 ZINC000299855300 JI Annotated Anodyne C[C@H](N[P@](=O)(Oc1cccc2ccccc12)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 ZINC000299855304 JI Annotated Anodyne C[C@H](N[P@@](=O)(Oc1cccc2ccccc12)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 ZINC000299855307 JI Annotated Anodyne C[C@H](N[P@@](=O)(Oc1cccc2ccccc12)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 ZINC000299855311 JI Annotated Anodyne COc1cc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)ccc1O ZINC000299855548 JI Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(OC)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000299855636 JI Annotated Mild CC(C)(C)[Si](OCc1cnn(Cc2ccccc2)c(=O)c1)(c1ccccc1)c1ccccc1 ZINC000299856206 JI Annotated Reactive CCCc1cc(=O)oc2c1c1c(c3oc(C(=O)NNC(=O)c4ccncc4)cc32)C=CC(C)(C)O1 ZINC000299856474 JI Annotated Reactive O=C1NCCC12CCN(c1c(-c3ccccc3)cncc1-c1ccc(N3CCOCC3)cc1)CC2 ZINC000299856764 JI Annotated Anodyne OC[C@H]1O[C@@H]2N=C(SCCCCCCCCCCCCCCCCF)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000299857161 JI Annotated Anodyne COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)c1 ZINC000299857231 JI Annotated Anodyne Cc1ccc2c(n1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000299857421 JI Annotated Mild CN(C)CCNC(=O)c1ccc(NCc2ccncc2)c2c(O)c3cccc(C(F)(F)F)c3nc12 ZINC000299857794 JI Annotated Bother CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4cc(F)ccc43)ccc2=O)c1 ZINC000299858014 JI Annotated Anodyne COc1cc(-c2cc(COCc3cn(Cc4cc(C)cnc4Cl)nn3)on2)cc(OC)c1OC ZINC000299858290 JI Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccccc43)ccc2=O)c1 ZINC000299858443 JI Annotated Anodyne COc1cc(C)cc(-c2nn(CC#N)cc2-c2cc(NCCCCO)nc(-c3cccnc3)n2)c1 ZINC000299858461 JI Annotated Mild O=C(c1nc2sc3cc(Br)ccc3n2c1Cl)N1CCN(C2CCCC2)C(=O)C1 ZINC000299858549 JI Annotated Anodyne C[C@H](N[P@](=O)(Oc1cccc2ccccc12)O[C@@H]1CC[C@H](O)[C@H]1CO)C(=O)OCC(C)(C)C ZINC000299858827 JI Annotated Anodyne C[C@H](N[P@@](=O)(Oc1cccc2ccccc12)O[C@@H]1CC[C@H](O)[C@H]1CO)C(=O)OCC(C)(C)C ZINC000299858829 JI Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c(C(=O)C(=O)N3CCCC3)[nH]c2c1 ZINC000299858891 JI Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4c(F)cccc43)ccc2=O)c1 ZINC000299859901 JI Annotated Anodyne Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3cccc(I)c3)c3ccccc32)on1 ZINC000299860729 JI Annotated Anodyne COc1cc2nncc(-c3cnc(N4CCC(O)(c5ccc(F)nc5)CC4)c(C)c3)c2cc1OC ZINC000299860813 JI Annotated Anodyne N#Cc1c(O)nc2c(c1-c1ccc(C(=O)NS(=O)(=O)c3ccccc3)cc1)COc1ccccc1-2 ZINC000299861248 JI Annotated Mild COc1cc2nc(/C=C/c3ccccc3Br)n(CCCN(C)C)c(=O)c2cc1OC ZINC000299862770 JI Annotated Anodyne Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000299863900 JI Annotated Anodyne COC(=O)C[C@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000299864454 JI Annotated Anodyne COC(=O)C[C@@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000299864455 JI Annotated Anodyne CCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)n1cc(Br)c(O)nc1=O ZINC000299864511 JI Annotated Anodyne CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)n1cc(Br)c(O)nc1=O ZINC000299864512 JI Annotated Anodyne CN(C)Cc1cccn1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1 ZINC000299864530 JI Annotated Anodyne COc1cc(C2=Nc3c(N)nc(N)nc3N[C@@H](c3sc(Cl)nc3Cl)C2)cc(OC)c1OC ZINC000299864536 JI Annotated Anodyne COc1cc(C2=Nc3c(N)nc(N)nc3N[C@H](c3sc(Cl)nc3Cl)C2)cc(OC)c1OC ZINC000299864537 JI Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1 ZINC000299864727 JI Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CCC(=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000299864787 JI Annotated Anodyne CN(C)Cc1cccn1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 ZINC000299865235 JI Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(N3CCN(c4ccc(F)cc4)CC3)nc3ccccc23)cc1 ZINC000299865370 JI Annotated Anodyne COc1ccc([C@](C)(O)c2nc(N3CCN(c4ccc(F)cc4)CC3)nc3ccccc23)cc1 ZINC000299865371 JI Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@@H]3[C@@H]2c2ccccc2Br)cc1 ZINC000299865379 JI Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@H]3[C@@H]2c2ccccc2Br)cc1 ZINC000299865380 JI Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@@H]3[C@H]2c2ccccc2Br)cc1 ZINC000299865381 JI Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@H]3[C@H]2c2ccccc2Br)cc1 ZINC000299865382 JI Annotated Anodyne O=C(c1ccc(Cl)cc1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299865540 JI Annotated Bother COCCCOc1cnc(-c2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)nc1 ZINC000299865943 JI Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(F)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000299866153 JI Annotated Mild COc1ccc(-c2nnc(SC[C@@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)[nH]2)cc1 ZINC000299866379 JI Annotated Anodyne COc1ccc(-c2nnc(SC[C@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)[nH]2)cc1 ZINC000299866380 JI Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4c(F)cc(F)cc43)ccc2=O)c1 ZINC000299866525 JI Annotated Anodyne Cc1cccc(CCN2CCN(CCCC[C@H]3CNC(=N)N3CC3CCC(C)CC3)C2=N)c1 ZINC000299866535 JI Annotated Anodyne O=c1onc2n1-c1ccccc1S[C@@]2(OCC(F)(F)F)c1ccc(Br)cc1 ZINC000299866635 JI Annotated Anodyne O=c1onc2n1-c1ccccc1S[C@]2(OCC(F)(F)F)c1ccc(Br)cc1 ZINC000299866636 JI Annotated Anodyne Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccccc3I)c3ccccc32)on1 ZINC000299866737 JI Annotated Anodyne COC(=O)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1 ZINC000299868256 JI Annotated Anodyne O=C(N/N=C/c1cn(Cc2cc(-c3ccc(F)cc3)cnc2Cl)nn1)c1ccc(F)cc1 ZINC000299868297 JI Annotated Reactive COc1ccc2nc(C)cc(N3CCC(NC(=S)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000299868511 JI Annotated Bother NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@H]3[C@H]2c2ccc(Br)cc2)cc1 ZINC000299868809 JI Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@H]3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000299868810 JI Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@@H]3[C@H]2c2ccc(Br)cc2)cc1 ZINC000299868811 JI Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@@H]3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000299868812 JI Annotated Anodyne O=C1N(Cc2ccccc2)c2ccccc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299868937 JI Annotated Anodyne O=C1N(Cc2ccccc2)c2ccccc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299868938 JI Annotated Anodyne Cc1cc2c(c(O)n1)CNC(=O)c1cc(Cl)cc(O[C@@H]3CC[C@@H](N)CC3)c1C/C=C/CC2 ZINC000299869206 JI Annotated Anodyne COc1ccc(CNc2ccc3c(c2)OC(C)(C)[C@H](OC(=O)[C@@H](N)CCSC)[C@H]3OC)cc1 ZINC000299870063 JI Annotated Anodyne COc1ccc(CNc2ccc3c(c2)OC(C)(C)[C@H](OC(=O)[C@@H](N)CCSC)[C@@H]3OC)cc1 ZINC000299870066 JI Annotated Anodyne O=C(Cn1cc(CN(c2ncccn2)c2nc3ccccc3s2)nn1)Nc1ccc(F)c(Cl)c1 ZINC000299870281 JI Annotated Anodyne COc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCCCN(C)C)c3nc12 ZINC000299870619 JI Annotated Bother CC(C)(C)c1ccc2occ(/C=N/Nc3nc(N4CCOCC4)c4ccsc4n3)c(=O)c2c1 ZINC000299871094 JI Annotated Mild CC(C)c1cc(C(C)C)c(CS(=O)(=O)NCCN2C(=O)N[C@]3(CC3(C)C)C2=O)c(C(C)C)c1 ZINC000299871116 JI Annotated Anodyne CC(C)c1cc(C(C)C)c(CS(=O)(=O)NCCN2C(=O)N[C@@]3(CC3(C)C)C2=O)c(C(C)C)c1 ZINC000299871117 JI Annotated Anodyne COc1cc(N2CCN(C(=O)N[C@@H](C)c3cccc4ccccc34)CC2)ccc1-n1cc(C)nn1 ZINC000299871143 JI Annotated Anodyne C[C@H]1CN(c2nc(SCCc3ccc(NC(=N)N)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000299871152 JI Annotated Mild C[C@@H]1CN(c2nc(SCCc3ccc(NC(=N)N)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000299871153 JI Annotated Mild C[C@H]1CN(c2nc(SCCc3ccc(NC(=N)N)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@H](C)O1 ZINC000299871154 JI Annotated Mild CC(C)(C)c1ccc2occ(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c(=O)c2c1 ZINC000299872110 JI Annotated Mild COc1ccc(-c2noc(NCCCN3CCN(c4cccc(C)c4)[C@H](C)C3)n2)cc1OC ZINC000299872731 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000299873628 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000299873629 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000299873630 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2cccnc2SC)C1 ZINC000299873631 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299873662 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299873663 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299873664 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299873665 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299873792 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299873793 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299873794 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1 ZINC000299873818 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1 ZINC000299873819 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299873857 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299873858 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299873859 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299873860 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299874116 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299874117 JI Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000299874152 JI Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000299874153 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299874171 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299874172 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000299874400 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299874401 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299874402 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000299874403 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299874427 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299874428 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299874447 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299874448 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299874487 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299874488 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000299874501 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000299874502 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299874551 JI Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299874616 JI Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299874617 JI Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000299874644 JI Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000299874645 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299874680 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299874681 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299874682 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299874943 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299874944 JI Annotated Anodyne COc1ccc(CN(C[C@H](C)O)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)cc1OC ZINC000299874974 JI Annotated Anodyne COc1ccc(CN(C[C@H](C)O)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)cc1OC ZINC000299874975 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299875052 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299875053 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299875054 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299875055 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299875060 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299875061 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299875278 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299875279 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875498 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875499 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299875612 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299875613 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000299875624 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000299875625 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000299875626 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000299875627 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299875662 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299875663 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299875693 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299875694 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299875710 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299875711 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299875712 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299875990 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299875991 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299875992 JI Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299876104 JI Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299876105 JI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000299876145 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299876198 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299876199 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876235 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299876276 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000299876430 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(OC)cc1 ZINC000299876431 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)cc1 ZINC000299876432 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000299876433 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299876561 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299876562 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299876590 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299876591 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299876592 JI Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@]34[C@@H](CC[C@@]5(C)O[C@@H]35)[C@H](C)CC[C@@H]24)CC1 ZINC000299876811 JI Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@]34[C@@H](CC[C@@]5(C)O[C@@H]35)[C@@H](C)CC[C@@H]24)CC1 ZINC000299876812 JI Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@]34[C@H]2CC[C@H](C)[C@H]3CC[C@@]2(C)O[C@@H]42)CC1 ZINC000299876813 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000299876850 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000299876851 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(OC)c(OC)c1 ZINC000299876852 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(OC)c(OC)c1 ZINC000299876853 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299876879 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299876880 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299876881 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299876882 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000299876937 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000299876938 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000299876939 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OC)C1 ZINC000299876940 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299876993 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299876994 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299876995 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3ccco3)C2)c1 ZINC000299877002 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3ccco3)C2)c1 ZINC000299877003 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3ccco3)C2)c1 ZINC000299877004 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3ccco3)C2)c1 ZINC000299877005 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1 ZINC000299877231 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1 ZINC000299877232 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299877277 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299877278 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299877279 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299877280 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299877304 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299877305 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299877306 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299877307 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000299877378 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000299877379 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000299877380 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000299877381 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299877405 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299877406 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000299877407 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299877515 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299877516 JI Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000299877624 JI Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000299877625 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299877937 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299877938 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299878113 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299878175 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299878176 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299878203 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299878204 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000299878358 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000299878359 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000299878360 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000299878361 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299878423 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299878424 JI Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000299878476 JI Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000299878477 JI Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000299878478 JI Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000299878479 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299878480 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299878725 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299878726 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299878727 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299878771 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299878772 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299878773 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299878774 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000299878782 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299878783 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299878784 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000299878785 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000299878862 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000299878863 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299878901 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000299878946 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299878947 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299878948 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000299878949 JI Annotated Anodyne COCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299879027 JI Annotated Anodyne COCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299879028 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299879243 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299879244 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299879375 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299879376 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H](C)CO)ccc2c1 ZINC000299879387 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@@H](C)CO)ccc2c1 ZINC000299879388 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)CO)ccc2c1 ZINC000299879389 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](C)CO)ccc2c1 ZINC000299879390 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299879391 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299879392 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299879393 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299879501 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299879502 JI Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C1 ZINC000299879521 JI Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C1 ZINC000299879522 JI Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C1 ZINC000299879523 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000299879544 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000299879545 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299879559 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000299879884 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000299879885 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299879890 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299879891 JI Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299879907 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879920 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879921 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299879946 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000299879947 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000299879948 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299879949 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000299879971 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000299879972 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000299879973 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000299879974 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299880002 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299880003 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299880004 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299880005 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299880153 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299880154 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299880155 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880160 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880161 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880189 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000299880234 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000299880235 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000299880236 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000299880237 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880286 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880287 JI Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000299880309 JI Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000299880310 JI Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000299880311 JI Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000299880312 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299880403 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299880404 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299880523 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299880524 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299880525 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299880526 JI Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000299880613 JI Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000299880614 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000299880760 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000299880761 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000299880762 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000299880763 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299880895 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299880896 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299880938 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299880939 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299880940 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299880964 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299880965 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000299880984 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000299880985 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000299880986 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000299880987 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000299881129 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000299881130 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000299881131 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000299881132 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(OC)cc1 ZINC000299881143 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(OC)cc1 ZINC000299881144 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(OC)cc1 ZINC000299881145 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(OC)cc1 ZINC000299881146 JI Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299881201 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000299881231 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000299881232 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000299881233 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000299881234 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299881235 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299881236 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299881237 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000299881246 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000299881247 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000299881248 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000299881249 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000299881355 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000299881356 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299881368 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299881369 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299881370 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000299881618 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000299881619 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000299881620 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000299881621 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299881703 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299881704 JI Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299881714 JI Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299881715 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2cccnc2SC)C1 ZINC000299881943 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2cccnc2SC)C1 ZINC000299881944 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299881950 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299881951 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299881952 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299881953 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000299881956 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299881957 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299881958 JI Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299882089 JI Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299882090 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cnccn2)C1 ZINC000299882123 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cnccn2)C1 ZINC000299882124 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cnccn2)C1 ZINC000299882125 JI Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)cc1 ZINC000299882383 JI Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)cc1 ZINC000299882384 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299882432 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299882433 JI Annotated Anodyne CC(=O)N1N=C(C2=C(c3ccccc3)[C@@H]3C=C(Br)C=C[C@H]3NC2=O)C[C@H]1c1ccco1 ZINC000299882434 JI Annotated Anodyne CC(=O)N1N=C(C2=C(c3ccccc3)[C@@H]3C=C(Br)C=C[C@H]3NC2=O)C[C@@H]1c1ccco1 ZINC000299882435 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299882437 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299882438 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299882454 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299882455 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299882456 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299882506 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299882507 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299882508 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299882509 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299882541 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000299882724 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000299882725 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000299882726 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000299882727 JI Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000299882859 JI Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000299882860 JI Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000299882861 JI Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000299882862 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299883012 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299883013 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299883014 JI Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299883097 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2cccnc2SC)C1 ZINC000299883385 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2cccnc2SC)C1 ZINC000299883386 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299883449 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299883450 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299883451 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299883488 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299883489 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299883490 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299883491 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NC[C@@H](C)O)ccc2c1 ZINC000299883529 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NC[C@H](C)O)ccc2c1 ZINC000299883530 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@H](C)O)ccc2c1 ZINC000299883531 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@@H](C)O)ccc2c1 ZINC000299883532 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883541 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883542 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883543 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883653 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883654 JI Annotated Anodyne COCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299883697 JI Annotated Anodyne COCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299883698 JI Annotated Anodyne CC[C@@H](CO)N(Cc1ccc(O)c(OC)c1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000299883793 JI Annotated Anodyne CC[C@H](CO)N(Cc1ccc(O)c(OC)c1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000299883794 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299883956 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299883957 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299883976 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299883977 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299884013 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299884014 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000299884032 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000299884033 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000299884034 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000299884035 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299884218 JI Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC(C)(C)O2)c1ccccc1 ZINC000299884247 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299884428 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299884429 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299884430 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299884601 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299884602 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299884757 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299884820 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299884821 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299884910 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299884911 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000299885079 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000299885080 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000299885081 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000299885082 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000299885094 JI Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000299885095 JI Annotated Mild C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCN(c6cccc(C(F)(F)F)c6)CC5)[C@H]4C[C@@]13O2 ZINC000299885156 JI Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCN(c6cccc(C(F)(F)F)c6)CC5)[C@H]4C[C@]13O2 ZINC000299885157 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299885184 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299885185 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885307 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885308 JI Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000299885547 JI Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000299885548 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299885595 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299885596 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299885597 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299885619 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299885620 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299885621 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)C1 ZINC000299885655 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)C1 ZINC000299885656 JI Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000299885657 JI Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000299885658 JI Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000299885659 JI Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000299885660 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299885688 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299885689 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299886109 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299886110 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299886130 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299886231 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299886232 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000299886262 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299886263 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299886264 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000299886265 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299886305 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299886306 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299886322 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299886473 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299886474 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299886475 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299886518 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299886519 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299886627 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299886628 JI Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000299886633 JI Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000299886634 JI Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000299886635 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299886688 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299886689 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299886690 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299886747 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299886748 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299886758 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299886759 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299886760 JI Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000299886828 JI Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000299886829 JI Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)cc1OC ZINC000299886921 JI Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1OC ZINC000299886922 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299887031 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299887032 JI Annotated Anodyne COc1ccc2[nH]cc(CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@@H]43)C(C)=O)c2c1 ZINC000299887033 JI Annotated Anodyne COc1ccc2[nH]cc(CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@@H]43)C(C)=O)c2c1 ZINC000299887034 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000299887076 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000299887077 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000299887078 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000299887079 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299887095 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000299887096 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299887097 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000299887300 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000299887301 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000299887302 JI Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000299887303 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(O)c(OC)c1 ZINC000299887372 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(O)c(OC)c1 ZINC000299887373 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(O)c(OC)c1 ZINC000299887374 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(O)c(OC)c1 ZINC000299887375 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299887401 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299887402 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc(O)c1 ZINC000299887528 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(O)c1 ZINC000299887529 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(O)c1 ZINC000299887530 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(O)c1 ZINC000299887531 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299887559 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299887560 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299887561 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299887563 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299887564 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299887565 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299887566 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299887602 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299887603 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299887604 JI Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299887605 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299887691 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299887692 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299887693 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299887739 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299887740 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299887872 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299887873 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299887874 JI Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299887875 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299888075 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299888076 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299888077 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299888078 JI Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299888098 JI Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299888099 JI Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299888100 JI Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299888101 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)c(OC)c1 ZINC000299888126 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)c(OC)c1 ZINC000299888127 JI Annotated Anodyne COc1cc(/C=C/C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc(OC)c1OC ZINC000003008160 JI Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F ZINC000003023773 JI Annotated Anodyne CC1CCN(c2ccc(C(=O)O)cc2NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000003028903 JI Annotated Anodyne CN(CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)Cc1ccccc1 ZINC000003045038 JI Annotated Anodyne Cc1c(C(=O)Nc2cccc(Cl)c2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12 ZINC000003048212 JI Annotated Anodyne C=CCn1c(SCc2ccc(Cl)cc2)nc2cc(C(=O)N3CCOCC3)ccc2c1=O ZINC000003052170 JI Annotated Mild NC(=O)C1CCN(C(=O)c2ccc(/C=C3/Oc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000003058745 JI Annotated Anodyne CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1=O ZINC000003060446 JI Annotated Anodyne CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1=O ZINC000003060448 JI Annotated Anodyne Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccncc1 ZINC000003173000 JI Annotated Reactive CN1C(c2ccc(F)cc2)=CS/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000003190789 JI Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2cccc3ccccc23)cc1 ZINC000003230359 JI Annotated Anodyne O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1cc2ccccc2cc1O ZINC000003238139 JI Annotated Reactive CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1 ZINC000003260739 JI Annotated Mild O=C(O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000003264690 JI Annotated Bother Cc1cc(C)c(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1C ZINC000003321833 JI Annotated Anodyne C=CCn1c(SCc2c(C(=O)OC)sc(N)c2C(=O)OC)nnc1-c1ccc(Cl)cc1 ZINC000003365885 JI Annotated Mild CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)[C@@H](C)OC1(C)C ZINC000301055124 JI Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)[C@H](C)OC1(C)C ZINC000301055125 JI Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)[C@H](C)OC1(C)C ZINC000301055126 JI Annotated Anodyne CC[C@@H]1[C@H](C)C[C@H]2[C@H]3C[C@@H]4C=CC(=O)C5=C(O)N[C@H](CCCNC(=O)C=CC[C@H]4[C@H]3C=C[C@@H]21)C5=O ZINC000306147407 JI Annotated Mild CC[C@@H]1[C@H](C)C[C@H]2[C@H]3C[C@H]4C=CC(=O)C5=C(O)N[C@H](CCCNC(=O)C=CC[C@H]4[C@H]3C=C[C@@H]21)C5=O ZINC000306147408 JI Annotated Mild CC[C@@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H]4C=CC(=O)C5=C(O)N[C@H](CCCNC(=O)C=CC[C@H]4[C@H]3C=C[C@@H]21)C5=O ZINC000306147409 JI Annotated Mild CC[C@@H]1[C@H](C)C[C@H]2[C@@H]3C[C@@H]4C=CC(=O)C5=C(O)N[C@H](CCCNC(=O)C=CC[C@H]4[C@H]3C=C[C@@H]21)C5=O ZINC000306147410 JI Annotated Mild O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000031035737 JI Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000031156987 JI Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@@H]1c2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)C[C@H]2C(=O)OC[C@H]12)OCO3 ZINC000031160951 JI Annotated Anodyne Cc1ccccc1OC[C@@H](CO[C@@H](O)C(Cl)(Cl)Cl)O[C@@H](O)C(Cl)(Cl)Cl ZINC000031297938 JI Annotated Anodyne in-man Cc1ccccc1OC[C@H](CO[C@@H](O)C(Cl)(Cl)Cl)O[C@@H](O)C(Cl)(Cl)Cl ZINC000031297941 JI Annotated Anodyne in-man Cc1ccccc1OC[C@@H](CO[C@H](O)C(Cl)(Cl)Cl)O[C@@H](O)C(Cl)(Cl)Cl ZINC000031297944 JI Annotated Anodyne in-man Cc1ccccc1OC[C@H](CO[C@H](O)C(Cl)(Cl)Cl)O[C@@H](O)C(Cl)(Cl)Cl ZINC000031297946 JI Annotated Anodyne in-man CN(C)CCCCCNc1ccc(NCCCCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000031440432 JI Annotated Clean COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23 ZINC000031460007 JI Annotated Mild in-vitro biogenic CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl ZINC000031501468 JI Annotated Bother COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000031516538 JI Annotated Anodyne in-man CN(C)C(=O)O[C@@H]1C(=O)N(C)c2ccc(Cl)cc2[C@@]2(c3ccccc3)N1C2(Cl)Cl ZINC000031851211 JI Annotated Anodyne COc1cc(CNc2nc3ccccc3n2Cc2ccccc2)cc(CN2CCOCC2)c1O ZINC000031861212 JI Annotated Clean Cc1ccc(OC[C@@H]2O[C@H](n3cnc4nc(N)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000031871754 JI Annotated Anodyne Cc1ccc(OC[C@H]2O[C@H](n3cnc4nc(N)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000031871756 JI Annotated Anodyne COc1ccc([C@H]2c3c(-c4ccccc4)nn(-c4ccccc4)c3Oc3ncn(N)c(=N)c32)cc1OC ZINC000031895348 JI Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(C)=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000031897547 JI Annotated Anodyne CC[C@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(C)=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000031897553 JI Annotated Anodyne Cc1ccc(Sc2ccccc2[C@@]23O[C@@](C)([C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]42)N(C)C3=O)cc1 ZINC000031904785 JI Annotated Anodyne Cc1ccc(Sc2ccccc2[C@]23O[C@](C)([C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]42)N(C)C3=O)cc1 ZINC000031904786 JI Annotated Anodyne O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)[C@H](SC(=S)N1CCOCC1)c1ccccc1 ZINC000031905222 JI Annotated Anodyne O=C(c1cccnc1)N1N=C(c2ccc3c(c2)OCO3)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000031905829 JI Annotated Anodyne CCOc1cc([C@H]2CC(c3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)=NN2)ccc1O ZINC000031905903 JI Annotated Bother CC(=O)O[C@@H]1[C@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@H](O)[C@H]1O ZINC000031909416 JI Annotated Anodyne CC(=O)O[C@@H]1[C@@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@H](O)[C@H]1O ZINC000031909420 JI Annotated Anodyne COc1cc([C@H]2C3=C(NC(=O)[C@@H]2C#N)c2ccc4ccccc4c2OCC3)cc(OC)c1OC ZINC000031910379 JI Annotated Mild COc1cc([C@@H]2C3=C(NC(=O)[C@@H]2C#N)c2ccc4ccccc4c2OCC3)cc(OC)c1OC ZINC000031910383 JI Annotated Mild COc1cc([C@H]2C3=C(NC(=O)[C@H]2C#N)c2ccc4ccccc4c2OCC3)cc(OC)c1OC ZINC000031910386 JI Annotated Mild COc1cc([C@@H]2C3=C(NC(=O)[C@H]2C#N)c2ccc4ccccc4c2OCC3)cc(OC)c1OC ZINC000031910390 JI Annotated Mild OC(/C=C/c1ccc(/C(O)=N\c2ccc(C3=NCCN3)cc2)cc1)=N/c1ccc(C2=NCCN2)cc1 ZINC000031937810 JI Annotated Mild CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@H](O)[C@H]3[C@@H](CCCCC(=N)N)C(=O)O)c1 ZINC000031976941 JI Annotated Anodyne COc1ccc(C(=O)Nc2ccc(C(=O)NN3C(=O)CS[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000032037513 JI Annotated Anodyne COc1ccc(C(=O)Nc2ccc(C(=O)NN3C(=O)CS[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000032037516 JI Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@H](n3cnc4nc(N)nc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000032068979 JI Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nc4ccccc4[nH]3)ccc(F)c12 ZINC000032086698 JI Annotated Anodyne O=C(C1CC1)N(Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)CCO2)c1ccccc1 ZINC000033140331 JI Annotated Anodyne O=C(C1CC1)N(Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1F)CCO2)c1ccccc1 ZINC000033140336 JI Annotated Anodyne O=C(C1CC1)N(Cc1ccc2c(c1)CN(S(=O)(=O)c1cc(F)ccc1F)CCO2)c1ccccc1 ZINC000033140337 JI Annotated Anodyne O=C(C1CC1)N(Cc1ccc2c(c1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CCO2)c1ccccc1 ZINC000033140339 JI Annotated Anodyne O=C(Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1Cl)c1ccco1 ZINC000033332285 JI Annotated Anodyne COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)COc3c(C)cccc3C)cc2)cc1 ZINC000033344782 JI Annotated Reactive Cc1c(/C=N\NC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccncc1 ZINC000033401767 JI Annotated Reactive O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2cc(Cl)ccc21)c1cccc(C(F)(F)F)c1 ZINC000033445611 JI Annotated Anodyne CN(C)c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000033502283 JI Annotated Mild Cc1ccccc1-c1nc2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccco3)c(=O)n2n1 ZINC000033669410 JI Annotated Anodyne Cc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)n1 ZINC000033681435 JI Annotated Anodyne C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccccc45)cc3N)cc2N)cc1 ZINC000033756288 JI Annotated Anodyne C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5cc(N)ccc45)cc3N)cc2)cc1 ZINC000033756291 JI Annotated Anodyne C[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)c5cc(N)ccc45)cc3)c(N)c2)cc1 ZINC000033756311 JI Annotated Anodyne O=[N+]([O-])c1ccc(Nc2nc(NCc3ccccc3)nc(N/N=C/c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000033782785 JI Annotated Mild Oc1cc(O)c2c(c1)[C@H]1[C@H](c3ccc(O)c(O)c3)c3c(O)cc(O)cc3[C@H]1[C@@H]2c1ccc(O)c(O)c1 ZINC000033819281 JI Annotated Clean Cc1csc(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)C[C@H]4C)c[nH]c23)c1 ZINC000033820012 JI Annotated Anodyne C[C@]12C[C@H](OC(=O)[C@@H]1CO)[C@H]([C@H]1CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]31C)CO2 ZINC000033830508 JI Annotated Mild C=C(C)[C@H](CCC(C)(C)O)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3O)oc12 ZINC000033832199 JI Annotated Mild in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1c2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)C[C@@H]2C(=O)OC[C@H]21)OCO3 ZINC000033833810 JI Annotated Anodyne in-vitro biogenic C[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)c5ccc(N)cc45)c(N)c3)cc2)cc1 ZINC000033857915 JI Annotated Anodyne O=C(C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1)N1CCCCCCC1 ZINC000033862200 JI Annotated Anodyne O=C(C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1)N1CCCCCCC1 ZINC000033862203 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]21 ZINC000033874003 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@H](C)[C@@H]21 ZINC000033874005 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]21 ZINC000033874007 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@H](C)[C@@H]21 ZINC000033874009 JI Annotated Anodyne C[C@]1(C(=O)NCCCNc2ncc(C(F)(F)F)cc2Cl)C=CCN1C(=O)c1ccccc1 ZINC000033913741 JI Annotated Anodyne C[C@@]1(C(=O)NCCCNc2ncc(C(F)(F)F)cc2Cl)C=CCN1C(=O)c1ccccc1 ZINC000033913742 JI Annotated Anodyne CC[C@H]1CN2CCc3c(cc(OC)c(OC)c3O)[C@@H]2C[C@@H]1CC1=C2C=C(OC)C(=O)C=C2CCN1 ZINC000033913821 JI Annotated Mild CCOC(=O)[C@H](Sc1ccccc1)c1c(OC)cc(=O)oc1/C=[N+](/[O-])c1ccc(N(C)C)cc1 ZINC000033940288 JI Annotated Mild CCOC(=O)[C@@H](Sc1ccccc1)c1c(OC)cc(=O)oc1/C=[N+](/[O-])c1ccc(N(C)C)cc1 ZINC000033940289 JI Annotated Mild C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000033953954 JI Annotated Bother in-vitro COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ncccc43)[nH]c2c(OC)c1OC ZINC000034000135 JI Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ncccc43)[nH]c2c(OC)c1OC ZINC000034000136 JI Annotated Reactive CCCCCN1C[C@@H]2N(C(=O)OCCc3ccc(O)cc3)CCCN2[C@@H](CCc2ccccc2)C1=O ZINC000034001236 JI Annotated Anodyne investigational C=C1C[C@H]2/C=C(\C)C[C@@H]([C@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@@H](C1)O2 ZINC000034015403 JI Annotated Mild C/C(=C\c1coc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000034048736 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)C[C@H](C)[C@]1(C)O)OCO3 ZINC000034073108 JI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)C[C@H](C)[C@]1(C)O)OCO3 ZINC000034073110 JI Annotated Anodyne in-vitro biogenic Cc1c(OS(=O)(=O)O)cc(/C=C/C=C/C=C/C=C/c2[nH]ccc2Br)oc1=O ZINC000034073394 JI Annotated Anodyne CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)=C(O)[C@@H]1c1ccc(F)cc1 ZINC000034073730 JI Annotated Anodyne CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)C[C@H](C)O)=C3C2=CO1 ZINC000034073908 JI Annotated Mild C=C1C[C@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OC(C)=O ZINC000034074275 JI Annotated Mild C=C1C[C@@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OC(C)=O ZINC000034074278 JI Annotated Mild C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OC(C)=O ZINC000034074279 JI Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#C[C@@H](O)/C=C\[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000034074522 JI Annotated Mild C[C@]1(COc2ccc(N3CCC(Oc4ccccc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000034086764 JI Annotated Clean C[C@]1(COc2ccc(N3CCC(Oc4ccc(F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000034086766 JI Annotated Clean Cc1ccc(OC2CCN(c3ccc(OC[C@@]4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)CC2)cc1 ZINC000034086767 JI Annotated Clean COC(=O)CCC/C=C(/c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000034086794 JI Annotated Anodyne CC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000034131588 JI Annotated Anodyne CCOC(=O)C1=CC[C@H](c2cccn2C(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131719 JI Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2cccn2C(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131721 JI Annotated Anodyne COc1ccc(-n2c(S)nc3cc(C(=O)N[C@H]4CCC[C@@H](C)[C@H]4C)ccc3c2=O)c(OC)c1 ZINC000034145345 JI Annotated Anodyne COc1ccc(-n2c(S)nc3cc(C(=O)N[C@H]4CCC[C@H](C)[C@H]4C)ccc3c2=O)c(OC)c1 ZINC000034145346 JI Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000034145349 JI Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000034145350 JI Annotated Anodyne CC(=O)OC[C@H]1O[C@H](CCO/N=C/[C@@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000034149035 JI Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#C[C@@H](O)/C=C/[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000034173228 JI Annotated Mild C[C@H]1CC=C2C(CO)(CO)CCC[C@]2(C)[C@@H]1CC[C@@H](CCO)COC(=O)/C=C/c1ccc(O)cc1 ZINC000034210436 JI Annotated Anodyne C[C@H]1CC=C2C(CO)(CO)CCC[C@]2(C)[C@H]1CC[C@@H](CCO)COC(=O)/C=C/c1ccc(O)cc1 ZINC000034210438 JI Annotated Anodyne CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2ncccc32)cc1 ZINC000034243444 JI Annotated Reactive CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2ncccc32)cc1 ZINC000034243446 JI Annotated Reactive CCCCN(NC(=O)CC(=O)NN(CCCC)C(=S)c1ccccc1)C(=S)c1ccccc1 ZINC000034248965 JI Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000034264795 JI Annotated Mild CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(Br)sc21 ZINC000034272478 JI Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3[C@@H](OC(C)=O)OC[C@@H]3[C@H](OC(C)=O)C(=O)OC)[C@H]12 ZINC000034285903 JI Annotated Mild COC(=O)c1ccccc1N1C(=O)O[C@H](COC(=O)Cc2ccccc2)[C@H]1Cc1ccccc1 ZINC000034310185 JI Annotated Anodyne COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc([C@H](C)COC(C)=O)c(OC(C)=O)c(OC(C)=O)c12 ZINC000034310431 JI Annotated Anodyne COC(=O)c1ccc(CN(C(=O)C(C)C)c2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1 ZINC000034312838 JI Annotated Anodyne CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2C(F)(F)F)C(=O)O)cc1 ZINC000034357736 JI Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3cc(Br)ccc32)cc(Br)c1OC ZINC000034394698 JI Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(Br)ccc32)cc(Br)c1OC ZINC000034394699 JI Annotated Reactive CC(=O)CC[C@@H]1C(C)(C)CCC[C@@]1(C)C(=O)CC[C@@H](C)CC(=O)OC[C@H](CO)OC(C)=O ZINC000034467028 JI Annotated Anodyne CC(=O)CC[C@@H]1C(C)(C)CCC[C@@]1(C)C(=O)CC[C@@H](C)CC(=O)OC[C@H](O)COC(C)=O ZINC000034467030 JI Annotated Anodyne C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N(C)C ZINC000034470962 JI Annotated Anodyne C[C@H](Nc1c(-c2c(F)ccc(OCCN(C)C)c2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000034509725 JI Annotated Anodyne C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1)N(C)C ZINC000034561126 JI Annotated Anodyne C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1)N(C)C ZINC000034561128 JI Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)CCC(=O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000034656468 JI Annotated Anodyne O=C(O)COc1ccc(Br)cc1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000034662875 JI Annotated Anodyne CCN(CC)CCOc1ccc(-c2cc(C(=O)Nc3cccc(CO)c3)c(NC(N)=O)s2)cc1 ZINC000034662919 JI Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)N[C@@]2(c3ccccc3)C3=NCC(C)(C)CN3c3ccccc32)cc1 ZINC000034741347 JI Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)N[C@]2(c3ccccc3)C3=NCC(C)(C)CN3c3ccccc32)cc1 ZINC000034741348 JI Annotated Mild O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1 ZINC000034780135 JI Annotated Clean CC#Cc1cncc(-c2csc([C@]34CN(c5cccc(OC(C)C)c5)C[C@H]3C(=O)N(C)C(N)=N4)c2)c1 ZINC000034785868 JI Annotated Mild N#CC1=C(c2c(-c3cc4ccccc4s3)n(CCCSC(=N)N)c3ccccc23)C(=O)NC1=O ZINC000034800328 JI Annotated Reactive Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12 ZINC000034800800 JI Annotated Anodyne CN(C)c1ccc(C(=O)OC[C@@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 ZINC000034801520 JI Annotated Bother CN(C)c1ccc(C(=O)OC[C@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 ZINC000034801521 JI Annotated Bother CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@@H](CC(C)C)NCC ZINC000034801695 JI Annotated Mild CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)NCC ZINC000034801696 JI Annotated Mild CC(C)c1ccc(-c2ccc(S(=O)(=O)[C@@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O)cc2)cc1 ZINC000034801842 JI Annotated Anodyne CC(C)c1ccc(-c2ccc(S(=O)(=O)[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O)cc2)cc1 ZINC000034801843 JI Annotated Anodyne C[N+]1(CCOCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000034802163 JI Annotated Bother C[N+]1(CCOCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000034802164 JI Annotated Bother C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000034802168 JI Annotated Bother C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000034802169 JI Annotated Bother C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000034802192 JI Annotated Mild C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000034802196 JI Annotated Mild CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1 ZINC000034802297 JI Annotated Anodyne CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1Cl ZINC000034802430 JI Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1Cl ZINC000034802431 JI Annotated Reactive O=C1O[C@H]2C=CC=CC2=C2Oc3c(c(=O)oc4ccccc34)[C@@H](c3c(O)c4ccccc4oc3=O)[C@H]12 ZINC000034803008 JI Annotated Anodyne O=C1O[C@H]2C=CC=CC2=C2Oc3c(c(=O)oc4ccccc34)[C@H](c3c(O)c4ccccc4oc3=O)[C@H]12 ZINC000034803011 JI Annotated Anodyne CC(=O)c1ccc(OC[C@@H]2CN(C(=O)c3cc(C)n(Cc4cccs4)c3C)CCO2)cc1F ZINC000034803632 JI Annotated Anodyne CC(=O)c1ccc(OC[C@H]2CN(C(=O)c3cc(C)n(Cc4cccs4)c3C)CCO2)cc1F ZINC000034803637 JI Annotated Anodyne CC1(C)Oc2ccc(S(=O)(=O)c3ccccc3)cc2[C@@H](n2oc3cc(Cl)ccc3c2=O)[C@@H]1O ZINC000034809197 JI Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(OCCCN(C)C)cc2Cl)c(C)c1 ZINC000034817560 JI Annotated Anodyne CCN(CC)CCOc1ccc(CC[C@@H](Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1 ZINC000034851712 JI Annotated Bother CCN(CC)CCOc1ccc(CC[C@H](Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1 ZINC000034851713 JI Annotated Bother CCN(CC)CCOc1ccc(CC[C@@H](Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1 ZINC000034851724 JI Annotated Bother CCN(CC)CCOc1ccc(CC[C@H](Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1 ZINC000034851725 JI Annotated Bother COc1ccc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000034858022 JI Annotated Anodyne CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCC[C@H]4CC)c(=O)c3c2)cc1 ZINC000034858040 JI Annotated Anodyne CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCC[C@@H]4CC)c(=O)c3c2)cc1 ZINC000034858041 JI Annotated Anodyne CC1CCN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N(C)c4ccc(C(C)C)cc4)cc3c2=O)CC1 ZINC000034858182 JI Annotated Anodyne CC(=O)N1N=C(C2=C(c3ccccc3)[C@@H]3C=C(Br)C=C[C@@H]3NC2=O)C[C@H]1c1ccco1 ZINC000034858184 JI Annotated Anodyne CC(=O)N1N=C(C2=C(c3ccccc3)[C@@H]3C=C(Br)C=C[C@@H]3NC2=O)C[C@@H]1c1ccco1 ZINC000034858185 JI Annotated Anodyne CC(=O)N1N=C(C2=C(c3ccccc3)[C@H]3C=C(Br)C=C[C@@H]3NC2=O)C[C@H]1c1ccco1 ZINC000034858186 JI Annotated Anodyne CC(=O)N1N=C(C2=C(c3ccccc3)[C@H]3C=C(Br)C=C[C@@H]3NC2=O)C[C@@H]1c1ccco1 ZINC000034858187 JI Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O ZINC000034858224 JI Annotated Anodyne Cc1cc(Br)ccc1/N=C(\O)c1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C ZINC000034858241 JI Annotated Anodyne COc1ccccc1/N=C(\O)Cn1cnc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1=O ZINC000034858386 JI Annotated Mild CC[C@@H]1CCCCN1C(=O)c1sc2ncn(C/C(O)=N/c3ccccc3OC)c(=O)c2c1C ZINC000034858389 JI Annotated Mild CC[C@H]1CCCCN1C(=O)c1sc2ncn(C/C(O)=N/c3ccccc3OC)c(=O)c2c1C ZINC000034858390 JI Annotated Mild COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(C/C(O)=N/Cc3ccccc3)c2=O)c(OC)c1 ZINC000034858491 JI Annotated Mild Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12 ZINC000034860708 JI Annotated Anodyne Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12 ZINC000034860711 JI Annotated Anodyne N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000034864270 JI Annotated Reactive COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000034892193 JI Annotated Mild Cc1c(-c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)c(C(F)(F)F)cc(-c2ccccc2)[n+]1[O-] ZINC000034892874 JI Annotated Clean COc1c(N2CC[C@@H]([C@@H](C)NC(C)C)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000034946182 JI Annotated Anodyne CCNC(C)(C)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 ZINC000034946457 JI Annotated Anodyne CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C(F)F)c2)CC1 ZINC000034947294 JI Annotated Anodyne C/C=C(/COC(=O)C=C(C)C)C(=O)OCc1ccn2c1[C@H](OC(=O)/C(C)=C/C)C[C@@H]2OC(C)=O ZINC000034954172 JI Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000034960807 JI Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961636 JI Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3cccs3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961638 JI Annotated Anodyne COc1ccccc1Cn1c(=O)n(-c2cccc(OC(F)(F)F)c2)c2nc(NC3CC3)ncc21 ZINC000034983636 JI Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F ZINC000034986736 JI Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F ZINC000034986737 JI Annotated Anodyne CSC[C@@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000003590422 JI Annotated Anodyne COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)Cn3cncn3)o2)ccc1-c1cnco1 ZINC000003594920 JI Annotated Anodyne O=C1NC(=O)/C(=C2\CN(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccccc32)S1 ZINC000003630171 JI Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1ccc(F)cc1 ZINC000003648352 JI Annotated Anodyne COc1cccc(N(C(=O)c2cccs2)C(=S)OCCN2C(=O)c3ccccc3C2=O)c1 ZINC000003648358 JI Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1cccc(F)c1 ZINC000003648366 JI Annotated Anodyne CC(=O)c1cccc(N(C(=O)c2cccs2)C(=S)OCCN2C(=O)c3ccccc3C2=O)c1 ZINC000003648368 JI Annotated Anodyne COc1ccccc1N(C(=O)c1cccs1)C(=S)OCCN1C(=O)c2ccccc2C1=O ZINC000003648373 JI Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccsc3)ccc(F)c12 ZINC000003648910 JI Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nc4ccccc4o3)ccc(F)c12 ZINC000003648933 JI Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cccs3)ccc(F)c12 ZINC000003648943 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000003650828 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000003650830 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000003650833 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000003650835 JI Annotated Anodyne CN1CCN(c2cc(Nc3ccc4c(c3)OCCO4)c3c4c(onc24)-c2ccccc2C3=O)CC1 ZINC000003741841 JI Annotated Clean C=CCN(C)[C@@H]1CCN(CC)c2c(C[S@](=O)c3nc4cc(F)c(OC)cc4[nH]3)cccc21 ZINC000003778140 JI Annotated Mild investigational N#Cc1c(SCc2ccc(Br)cc2F)nc(C2CCCCC2)n(CC(=O)O)c1=O ZINC000003785478 JI Annotated Mild CC[S@@](=O)c1ncccc1C1(O)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1 ZINC000003788782 JI Annotated Anodyne investigational CCOC(OCC)C(=O)NC1CCN(C[C@]23C[C@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000003789223 JI Annotated Anodyne C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000003797900 JI Annotated Mild O=C(O)C[C@H]1Nc2cc(/C=C/CCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O ZINC000003807660 JI Annotated Anodyne C[C@H]1N(C(=O)c2ccc(C(F)(F)F)cc2)CCO[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000003809072 JI Annotated Anodyne CCC(CC)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000003815632 JI Annotated Anodyne C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000003817264 JI Annotated Reactive CN(C)C[C@@H]1CCCN(CCCn2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2=O)C1 ZINC000003819303 JI Annotated Anodyne Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21 ZINC000003820981 JI Annotated Anodyne CC(=O)O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000003827194 JI Annotated Clean CCO[C@H]1O[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O ZINC000003831569 JI Annotated Anodyne CCO[C@@H]1O[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O ZINC000003831570 JI Annotated Anodyne CCO[C@H]1O[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O ZINC000003831571 JI Annotated Anodyne CCO[C@@H]1O[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O ZINC000003831572 JI Annotated Anodyne Cn1cncc1CN1C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccccc2)Cc2cc(C#N)ccc21 ZINC000003917248 JI Annotated Mild C[C@@H]1CC(C)(C)N[C@H](C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 ZINC000003917656 JI Annotated Reactive CC(C)OP(=O)(OC(C)C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 ZINC000003921178 JI Annotated Reactive O=C(O[P@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OC(=O)c1ccccc1)c1ccccc1 ZINC000003941181 JI Annotated Anodyne O=C(O)C[C@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)[C@@H]1CNc2ccccc2C1 ZINC000003942523 JI Annotated Anodyne CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)c(N2CCNCC2)n1C ZINC000003942876 JI Annotated Anodyne O=C(O)C[C@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cccc(F)c1 ZINC000003948006 JI Annotated Anodyne O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Nc3c(Cl)ncnc3Cl)n2)n2n1CCC2 ZINC000003948440 JI Annotated Anodyne COc1ccc2nccc([C@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1 ZINC000003948854 JI Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(CCCN[C@H]2c2ccccc2)C1 ZINC000003952188 JI Annotated Anodyne CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000003955276 JI Annotated Anodyne CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000003955278 JI Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000003955279 JI Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000003955280 JI Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000003961350 JI Annotated Anodyne Cn1nc(C[C@@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1SCCc1ccc2c(n1)NCCC2 ZINC000003962003 JI Annotated Anodyne COc1ccc([C@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)cn1 ZINC000003962016 JI Annotated Anodyne CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCN(C)CC3)ccc21 ZINC000003962827 JI Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000003965289 JI Annotated Mild COc1ccc(-c2ccc3c(n2)CCCN3C[C@H](O)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000003965569 JI Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)NC21C(=O)c2ccccc2C1=O ZINC000003974231 JI Annotated Clean C[C@@H]1C[C@@H]2[C@]3(C)CC[C@]4(C)C(=CC(=O)c5c4cc(O)c(O)c5C(=O)O)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O ZINC000003974908 JI Annotated Mild C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]12C ZINC000003978158 JI Annotated Mild in-vitro CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cccc(C(C)=O)c3)c(F)c2)C(=O)O1 ZINC000003992357 JI Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)ccc1Cl ZINC000035000948 JI Annotated Bother Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2I)cc1 ZINC000035002815 JI Annotated Anodyne CNCc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(C)cc1 ZINC000035002845 JI Annotated Anodyne COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@H]3CCC[C@H]23)c(C)cc1OCC(=O)O ZINC000035003033 JI Annotated Anodyne COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@@H]3CCC[C@H]23)c(C)cc1OCC(=O)O ZINC000035003035 JI Annotated Anodyne COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O ZINC000035003038 JI Annotated Anodyne COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O ZINC000035003041 JI Annotated Anodyne O=C(NCc1ccc(F)cc1)c1c(O)c2ncsc2n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000035010329 JI Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000035017475 JI Annotated Anodyne Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000035049846 JI Annotated Mild CCOC(=O)[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000035050001 JI Annotated Anodyne CCOC(=O)[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000035050002 JI Annotated Anodyne CCOC(=O)C[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000035050003 JI Annotated Anodyne CCOC(=O)C[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000035050004 JI Annotated Anodyne O=C(c1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2[nH]1)N1CCCCC1 ZINC000035065007 JI Annotated Anodyne C=C(C)[C@@H]1CC[C@](C)(/C=C/c2ccc3c(c2O)[C@](O)(c2ccc(OC)cc2)[C@@H](OC)C(=O)N3)O1 ZINC000035066207 JI Annotated Mild CC(=O)Nc1ccc(CN2C[C@@]3(CC(C)(C)Oc4ccc(Br)cc43)OCC2=O)cc1 ZINC000035079526 JI Annotated Anodyne CC(=O)Nc1ccc(CN2C[C@]3(CC(C)(C)Oc4ccc(Br)cc43)OCC2=O)cc1 ZINC000035079528 JI Annotated Anodyne COc1c(-c2ccc3c(c2)CCN(C)C3)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000035090255 JI Annotated Anodyne COc1cc(C(=O)N2[C@@H](c3nccs3)[C@@H](C(N)=O)C[C@@]2(CC(C)C)C(=O)O)ccc1C(C)(C)C ZINC000035259607 JI Annotated Anodyne Cn1c(=O)c(CCO)c(-c2cc(Cl)cc(CCCO)c2O)c2cc(C(F)(F)F)ccc21 ZINC000035259912 JI Annotated Anodyne COc1cc(/C=N\Nc2nc(Nc3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)cc(OC)c1OC ZINC000035263182 JI Annotated Mild COc1ccc([C@@]2(O)c3c(ccc(/C=C/[C@]4(C)CCC(C)(C)CO4)c3O)NC(=O)[C@H]2OC)cc1 ZINC000035269564 JI Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)C[C@@H](OC(=O)c5ccc6c(c5)OCO6)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000035276607 JI Annotated Mild COCCCNC(=O)[C@H](C)Sc1nnc2c3cc(C)ccc3n(Cc3ccccc3F)c2n1 ZINC000035702536 JI Annotated Anodyne COCCCNC(=O)[C@@H](C)Sc1nnc2c3cc(C)ccc3n(Cc3ccccc3F)c2n1 ZINC000035702538 JI Annotated Anodyne Cc1ccc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NCCc3ccccn3)c2)c(C)c1 ZINC000035711176 JI Annotated Anodyne CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5ccc6ccncc6c5)CC[C@@H]42)C=C3[C@@H](O)[C@@H]1O ZINC000035821313 JI Annotated Anodyne in-vitro O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(/C=C/CN3CCOCC3)cc1C2)c1ccc(Cl)s1 ZINC000035835261 JI Annotated Anodyne CCC(=O)O[C@@H]1[C@H](O)c2c(cc(OC)c3c(=O)c4c5ccccc5ccc4n(C)c23)OC1(C)C ZINC000035850231 JI Annotated Bother CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2)c(NC(=O)Nc2cccc3ccccc23)s1 ZINC000035862148 JI Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 ZINC000035902504 JI Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 ZINC000035902505 JI Annotated Anodyne CC1(C)c2[nH]nc(Nc3nccc(C(F)(F)F)n3)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000035902660 JI Annotated Anodyne O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(F)cc1 ZINC000035904195 JI Annotated Anodyne Cc1noc(C)c1CN1[C@@](C)(c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000035922141 JI Annotated Anodyne Cc1noc(C)c1CN1[C@](C)(c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000035922143 JI Annotated Anodyne Cc1ccccc1NC(=O)CCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O ZINC000035935347 JI Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(C#N)cc2Cl)s1 ZINC000035935740 JI Annotated Mild C=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CCC[C@]3(C)CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2OC(C)=O)C1 ZINC000035985101 JI Annotated Mild COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](O)[C@@H](OC(=O)N(C)C)C(C)(C)O2 ZINC000035985339 JI Annotated Bother C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(C3CCOCC3)cc2C1)C(F)(F)F ZINC000035985712 JI Annotated Anodyne CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(-c3nc4ccccc4s3)cs2)n1 ZINC000035998674 JI Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066376 JI Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066378 JI Annotated Anodyne COc1ccc(/C=C/C(=O)[C@H]2C(=O)N[C@]34CCCC[C@@H]3[C@H]2c2ccccc2O4)c(OC)c1OC ZINC000036070583 JI Annotated Mild O=C(O)[C@H]1C[C@]2(c3ccc(F)cc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000036126630 JI Annotated Anodyne O=C(O)[C@@H]1C[C@]2(c3ccc(F)cc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000036126631 JI Annotated Anodyne OC[C@H]1C[C@]2(c3ccccc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000036126642 JI Annotated Anodyne OC[C@@H]1C[C@]2(c3ccccc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000036126643 JI Annotated Anodyne O=C(O)COc1ccc(Br)cc1C(=O)c1cnn(-c2ccccc2Br)c1 ZINC000036127021 JI Annotated Anodyne O=C(O)COc1ccc(Br)cc1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000036127027 JI Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000036140281 JI Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000036140284 JI Annotated Anodyne CNc1nccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3Cl)CN(C)C)s2)n1 ZINC000036144135 JI Annotated Anodyne C[C@@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175600 JI Annotated Anodyne C[C@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175604 JI Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1CNC(=O)CNC(=O)CCCCC1CCCCC1 ZINC000036190215 JI Annotated Anodyne CCCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(Cc3ccccn3)c(CCC)c2n1 ZINC000036242902 JI Annotated Anodyne COC(=O)CCCCc1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 ZINC000036242961 JI Annotated Anodyne COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCC(C)C ZINC000036284548 JI Annotated Mild CCN(CC)CCC[C@@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cc(OC)cc(OC)c1 ZINC000036284664 JI Annotated Mild CCN(CC)CCC[C@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cc(OC)cc(OC)c1 ZINC000036284669 JI Annotated Mild O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Sc2ncc(Br)cn2)cc1 ZINC000036311014 JI Annotated Bother Cc1nnc2n1C1=C(C(c3ccccc3Cl)=N[C@@H]2C)[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2S1 ZINC000036331792 JI Annotated Anodyne Cc1nnc2n1C1=C(C(c3ccccc3Cl)=N[C@@H]2C)[C@@H]2CCN(C(=O)C3CC3)C[C@H]2S1 ZINC000036331794 JI Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000036338480 JI Annotated Anodyne in-vivo CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000036338482 JI Annotated Anodyne in-vivo O=c1c2ccc(-c3ccc(Cl)cc3)cc2cnn1-c1ccc(N2CC[C@H](NN3CCCC3)C2)nc1 ZINC000036351523 JI Annotated Anodyne CN[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1 ZINC000036351527 JI Annotated Anodyne C=CCN1Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]2(Cc2ccccc2)C1=O ZINC000036375489 JI Annotated Mild C=CCN1Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]2(Cc2ccccc2)C1=O ZINC000036375499 JI Annotated Mild C=CC[C@@]1(C(=O)OC)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1CN=[N+]=[N-] ZINC000036375522 JI Annotated Mild C=CCN1C(=O)[C@@]2(Cc3ccccc3)N=C(c3ccc(OCCCO)cc3)O[C@H]2c2ccccc21 ZINC000036375638 JI Annotated Mild [N-]=[N+]=NCc1ccccc1C[C@@]1(C(N)=O)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375648 JI Annotated Clean C=CC[C@]1(C(=O)OC)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1CN=[N+]=[N-] ZINC000036375706 JI Annotated Mild [N-]=[N+]=NCc1ccccc1C[C@]1(C(=O)N2CCCCC2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375804 JI Annotated Clean CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375839 JI Annotated Anodyne [N-]=[N+]=Nc1ccccc1C[C@]1(C(=O)NCc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375841 JI Annotated Mild [N-]=[N+]=NCc1ccccc1C[C@]1(C(N)=O)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375853 JI Annotated Clean CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375890 JI Annotated Anodyne [N-]=[N+]=NCc1ccccc1C[C@]1(C(=O)NCc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375894 JI Annotated Clean C=CC[C@@]12N=C(c3ccc(OCCCO)cc3)O[C@@H]1c1ccccc1CN(C(=O)c1ccccc1)C2=O ZINC000036375939 JI Annotated Mild C=CC[C@]12N=C(c3ccc(OCCCO)cc3)O[C@H]1c1ccccc1CN(C(=O)c1ccccc1)C2=O ZINC000036375972 JI Annotated Mild Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2)N(C)[C@H]31 ZINC000036378306 JI Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2)N(C)[C@@H]31 ZINC000036378307 JI Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@@H](CCc2ccccc2)[C@H](C(=O)NCCCOC(C)C)[C@H]1C ZINC000036379133 JI Annotated Anodyne CCN1C(NCCc2ccc(Br)cc2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000036379134 JI Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036379160 JI Annotated Anodyne Cc1cc2c(c(=O)o1)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3cc(C#N)ccc31)O2 ZINC000036379241 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1 ZINC000036381372 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000036381373 JI Annotated Anodyne CCN1C(NCCc2ccc(Br)cc2)=N[C@@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000036381596 JI Annotated Anodyne CCN(CC)CCC/N=C1\N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1CC ZINC000036381600 JI Annotated Mild O=C(NCCOc1ccccc1Cl)c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O ZINC000036382291 JI Annotated Anodyne CC(C)C[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccccc2)C1=O ZINC000036382384 JI Annotated Anodyne CC(C)C[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccccc2)C1=O ZINC000036382385 JI Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000036382400 JI Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000036382401 JI Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382412 JI Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382413 JI Annotated Anodyne C[C@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382434 JI Annotated Anodyne C[C@@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382435 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c(C)c1 ZINC000036382620 JI Annotated Anodyne CC(=O)c1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000036382630 JI Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1 ZINC000036382806 JI Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036384269 JI Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000036384347 JI Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000036384358 JI Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 ZINC000036384359 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@]12c1ccc(OC)cc1 ZINC000036384611 JI Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)N[C@@]2(CC(C)C)C(=O)OC ZINC000036386434 JI Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(-c3cccc(Cl)c3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386442 JI Annotated Anodyne COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386446 JI Annotated Anodyne CCCCCCSc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386448 JI Annotated Anodyne CCCCCCSc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386452 JI Annotated Anodyne CCCCCCSc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1OC ZINC000036386460 JI Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)cc1)N1CCCC[C@@]21C(=O)OC ZINC000036386466 JI Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(SC3CCCCC3)cc1)N1CCCC[C@@]21C(=O)OC ZINC000036386483 JI Annotated Anodyne CCCCCCSc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000036386489 JI Annotated Anodyne CCCCCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1 ZINC000036386501 JI Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4cccc(Cl)c4)c(OC)c3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386512 JI Annotated Anodyne CCCCCCSc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000036386523 JI Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(SC3CCCCC3)cc1)N[C@@]2(CC(C)C)C(=O)OC ZINC000036386547 JI Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3ccc(Cl)cc3NC(=O)[C@@]12C ZINC000036387237 JI Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@]12C ZINC000036387238 JI Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(OC)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036387250 JI Annotated Anodyne COc1ccc2c(c1)C(=O)N1[C@H]3c4cc(OC)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000036387252 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1[C@H]3c4ccccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000036387365 JI Annotated Anodyne Oc1c(CN2CCOCC2)cc2c(c1-c1c(O)c(CN3CCOCC3)cc3c1CCCC3)CCCC2 ZINC000036387482 JI Annotated Clean CCOC(=O)C1=CC[C@@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC ZINC000036387618 JI Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCC2CC2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000036387809 JI Annotated Bother Cc1ccccc1-c1cc(C(=O)NCC2CC2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000036387810 JI Annotated Bother COc1ccccc1CNC(=O)c1cc(-c2ccccc2C)nn1C[C@@H]1CC(c2cccnc2)=NO1 ZINC000036387826 JI Annotated Anodyne COc1ccccc1CNC(=O)c1cc(-c2ccccc2C)nn1C[C@H]1CC(c2cccnc2)=NO1 ZINC000036387828 JI Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCc2cccs2)n(C[C@@H]2CC(c3cccnc3)=NO2)n1 ZINC000036387835 JI Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCc2cccs2)n(C[C@H]2CC(c3cccnc3)=NO2)n1 ZINC000036387836 JI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036388444 JI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000036388454 JI Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)c3cccs3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388503 JI Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036388513 JI Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000036388588 JI Annotated Mild COc1cc(C#Cc2c(-c3cncn3C)n(C)c3ccc(-c4cnc(OC)nc4)cc23)cc(OC)c1 ZINC000036388648 JI Annotated Mild Cc1ccc(CN2CC(=O)N3[C@H]4c5ccccc5OC[C@@H]4[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000036389040 JI Annotated Anodyne C[C@@]12C(=O)N(Cc3ccc(F)cc3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389041 JI Annotated Anodyne COc1ccc(CN2CC(=O)N3[C@H]4c5ccccc5OC[C@@H]4[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000036389043 JI Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036389049 JI Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036389050 JI Annotated Anodyne COc1ccc(CN2CC(=O)N3[C@H]4c5ccc(OC)cc5OC[C@@H]4[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000036389052 JI Annotated Anodyne Cc1ccc(CNC(=O)c2cccc3c2C(=O)c2ccc(N4CCCCC4)cc2S3(=O)=O)cc1 ZINC000036389425 JI Annotated Anodyne CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4cccc(F)c4)c2C3=O)CC1 ZINC000036389427 JI Annotated Anodyne CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4ccc(F)cc4)c2C3=O)CC1 ZINC000036389428 JI Annotated Anodyne CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NC4CCCCC4)c2C3=O)CC1 ZINC000036389429 JI Annotated Anodyne C=C(C)[C@@H](C[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]3O[C@@]3(C)CC[C@H]12)OC(C)=O ZINC000036413455 JI Annotated Mild C=C(C)[C@H](C[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]3O[C@@]3(C)CC[C@H]12)OC(C)=O ZINC000036413456 JI Annotated Mild C=C(C)[C@@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]3O[C@@]3(C)CC[C@H]12)OC(C)=O ZINC000036413457 JI Annotated Mild C=C(C)[C@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]3O[C@@]3(C)CC[C@H]12)OC(C)=O ZINC000036413458 JI Annotated Mild CC1(C)C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12 ZINC000036415490 JI Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(N(C)CCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000036435980 JI Annotated Anodyne CC(=O)OC/C=C(\COC(C)=O)[C@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@@]21CO1)OC(C)=O ZINC000036445914 JI Annotated Anodyne CC(=O)OC/C=C(\COC(C)=O)[C@@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@@]21CO1)OC(C)=O ZINC000036445916 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)C[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]2C1(C)C)C[C@]4(O)CO ZINC000036445923 JI Annotated Anodyne O=C1CCc2ccc(c(I)c2)Oc2cc(cc(Br)c2O)CCN1 ZINC000036472926 JI Annotated Anodyne [N-]=[N+]=Nc1cc2ccc1Oc1cc(cc(Br)c1O)CCNC(=O)CCNC(=O)CC2 ZINC000036473439 JI Annotated Mild COC(=O)CCC/C=C(\c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c2on(C)c(=O)c2c1 ZINC000036476096 JI Annotated Anodyne COc1noc2c(C)cc(/C(=C\CCN3CCOC3=O)c3cc(C)c4on(C)c(=O)c4c3)cc12 ZINC000036476125 JI Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)coc2/C=N/NC(=O)CCCC(=O)O)cc1 ZINC000036477146 JI Annotated Reactive CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000036477519 JI Annotated Anodyne Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@H](O)CNCC(=O)O ZINC000036479216 JI Annotated Anodyne Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@@H](O)CNCC(=O)O ZINC000036479217 JI Annotated Anodyne CCNC(=O)c1cc2c(-c3cc(OCCCN(C)C)c(Cl)cc3Cl)nc(N)nc2s1 ZINC000037246117 JI Annotated Anodyne Cn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2cc(N)ccc21 ZINC000377829984 JI Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(Oc3ccc4ccccc4c3)ccc21 ZINC000377830437 JI Annotated Anodyne CC(C)(C)OC(=O)n1cccc1-c1ccc2c(c1)n1ncc(C(=O)OCc3cccs3)c1[nH][n+]2=O ZINC000377836355 JI Annotated Anodyne CCOC(=O)c1ccc2c(c1)n(O)c(C(=O)c1ccc3ccccc3c1)c(C(F)(F)F)[n+]2=O ZINC000377845671 JI Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)cc4)cc3N)cc2)c2ccc(N)cc21 ZINC000377848908 JI Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)cc4)cc3N)cc2)c2cc(N)ccc21 ZINC000377848911 JI Annotated Anodyne Cn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)c(N)c3)c(N)c2)c2ccccc21 ZINC000377848912 JI Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(C)c5ccc(N)cc45)cc3)cc2N)cc1 ZINC000377848921 JI Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ncn(C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377848944 JI Annotated Anodyne Cn1ccc(=Nc2ccc(C(=O)Nc3ccc(N=c4ccn(C)c5ccc(N)cc45)c(N)c3)cc2)cc1 ZINC000377848948 JI Annotated Anodyne CC1(C)N(O)c2ccc(CN3CCN(/C(=N/Cc4ccco4)Nc4ccccc4)CC3)cc2[N+]1=O ZINC000377853477 JI Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C ZINC000038140027 JI Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C ZINC000038140031 JI Annotated Mild CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](O)CC(=O)O1 ZINC000038140036 JI Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C ZINC000038140037 JI Annotated Mild CCN(CC)CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000038140983 JI Annotated Anodyne CCN(CC)CC(=O)Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000038140984 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H](CN=[N+]=[N-])O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000038142698 JI Annotated Clean CSC[C@@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000038142725 JI Annotated Anodyne CSC[C@@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000038142726 JI Annotated Anodyne N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000038145320 JI Annotated Reactive N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000038145321 JI Annotated Reactive CC[n+]1c(/C=c2/s/c(=C\Nc3ccccc3)c(=O)n2-c2ccccc2)sc2ccccc21 ZINC000038146315 JI Annotated Anodyne CCN1CCS/C1=C\C=c1/s/c(=C/c2sc3c4ccccc4ccc3[n+]2CC)n(CC)c1=O ZINC000038146393 JI Annotated Anodyne COC(=O)CCS[C@H]1c2c(c(O)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1 ZINC000038147685 JI Annotated Anodyne COC(=O)CCS[C@@H]1c2c(c(O)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1 ZINC000038147686 JI Annotated Anodyne CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3CC[C@@H]12 ZINC000038149179 JI Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3CC[C@@H]12 ZINC000038149215 JI Annotated Mild O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@H](CN1CCOCC1)O2 ZINC000038149710 JI Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@@H](CN1CCOCC1)O2 ZINC000038149711 JI Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@H](CN1CC[C@H](O)C1)O2 ZINC000038149712 JI Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@@H](CN1CC[C@H](O)C1)O2 ZINC000038149713 JI Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@H](CN1CC[C@@H](O)C1)O2 ZINC000038149714 JI Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@@H](CN1CC[C@@H](O)C1)O2 ZINC000038149715 JI Annotated Anodyne COc1cc2c(cc1OC)S[C@H](C(=O)C[C@@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000038151243 JI Annotated Bother COc1cc2c(cc1OC)S[C@H](C(=O)C[C@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000038151244 JI Annotated Bother COc1cc2c(cc1OC)S[C@@H](C(=O)C[C@@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000038151245 JI Annotated Bother COc1cc2c(cc1OC)S[C@@H](C(=O)C[C@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000038151246 JI Annotated Bother CCn1c(=O)/c(=C/C=C2\Sc3ccc4ccccc4c3N2C)s/c1=C/c1scc(C)[n+]1CC ZINC000038152043 JI Annotated Anodyne FC(F)(F)c1cc(N2CCN(c3ccc(-c4ncns4)nn3)CC2)cc(C(F)(F)F)c1 ZINC000038153798 JI Annotated Anodyne CCCCCCCCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155312 JI Annotated Mild CCCCCCCCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155313 JI Annotated Mild CCCCCCCCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155314 JI Annotated Mild CCCCCCCCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155315 JI Annotated Mild C/C(=N/OCc1nc2ccccc2c(=O)n1/N=C/c1cc(C)cc([N+](=O)[O-])c1O)c1ccccc1 ZINC000038168706 JI Annotated Mild O=S(=O)(c1ccc2c(c1)/C(=C/NNC(=S)Nc1cccc(Cl)c1)C=N2)N1CCCCC1 ZINC000038175692 JI Annotated Anodyne C=CCOC(=O)NCCSc1nc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2s1 ZINC000038198125 JI Annotated Mild CC[C@@H](C)[C@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C(=O)OC)=CC[C@H]2[C@@H]1/C=C/C=C/C=C/C(=O)OC ZINC000038217433 JI Annotated Anodyne COc1cc(/C=C/c2cc3c(c(=O)o2)/C(=C/c2ccc(O)c(O)c2)[C@](C)(OC)O3)ccc1O ZINC000038226480 JI Annotated Clean COc1cc(/C=C/c2cc3c(c(=O)o2)/C(=C/c2ccc(O)c(O)c2)[C@@](C)(OC)O3)ccc1O ZINC000038226481 JI Annotated Clean CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(=O)C[C@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000038227985 JI Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(=O)C[C@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000038227987 JI Annotated Anodyne CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(=O)C[C@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000038227989 JI Annotated Anodyne CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(=O)C[C@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000038227991 JI Annotated Anodyne Cc1ccc(C(=O)Nc2ccc(CN(C)C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000038245820 JI Annotated Anodyne Cc1ccc(C(=O)Nc2ccc(CN(C)C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000038245822 JI Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1 ZINC000038250313 JI Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C(=O)OC)=CC[C@H]2[C@@H]1/C=C/C=C/C=C/C(=O)O ZINC000038254950 JI Annotated Anodyne CCCCCC[C@@H](C)C(=O)C[C@@H]1C2=COC(C3=C(C)C[C@H](O)CC3=O)=CC2=CC(=O)[C@]1(C)O ZINC000038254953 JI Annotated Mild C[C@]1(c2cccc(Cn3c(=O)n(-c4noc5cc(Cl)ccc45)c4ccccc43)c2)OC(=O)NC1=O ZINC000038270244 JI Annotated Anodyne CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(C#CCO)cc2Cl)c(Cl)c1 ZINC000038270273 JI Annotated Mild in-vivo C=C1CC[C@@H]([C@H](CCC=C(C)C)CO[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2OC(C)=O)[C@@H]2C=C(C)CC[C@H]12 ZINC000038281328 JI Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000038281452 JI Annotated Mild CC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H]2C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000038281604 JI Annotated Anodyne CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)Cc1nc2c(C(F)(F)F)cccc2[nH]1 ZINC000038310494 JI Annotated Anodyne COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(=O)C=C(C)C)[C@@](C)(O)[C@@H](C)C3)OCO2 ZINC000038321735 JI Annotated Anodyne in-vitro biogenic C/C=C(\C)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCOC(C)=O ZINC000038336119 JI Annotated Anodyne in-vitro biogenic CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ncccc43)cc2c1 ZINC000038408226 JI Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ncccc43)cc2c1 ZINC000038408227 JI Annotated Reactive Cc1c(CNCCCNc2nc3cnccc3[nH]2)sc(Br)c1Br ZINC000038429914 JI Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1OC(C)=O ZINC000038430145 JI Annotated Mild CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)cn1)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1/C=C/2CO ZINC000038431811 JI Annotated Anodyne C=C1C[C@@H]2/C=C(\C)C[C@H]([C@@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H](C1)O2 ZINC000038432333 JI Annotated Mild C=C1C[C@@H]2/C=C(\C)C[C@H]([C@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H](C1)O2 ZINC000038432334 JI Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)c2n[nH]c3ccccc3c2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000038473670 JI Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000038514491 JI Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000038514493 JI Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](OC(C)=O)C2)cc1OC(C)C ZINC000038515327 JI Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@H](OC(C)=O)C2)cc1Cl ZINC000038563652 JI Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@@H](OC(C)=O)C2)cc1Cl ZINC000038563654 JI Annotated Mild CC[C@@H](C)[C@@]1(C(=O)N/C=C\c2c[nH]c3cc(Br)c(Br)cc23)N=C(C)C(=O)N1 ZINC000038661945 JI Annotated Anodyne CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)(C)OC(C)=O)[C@H]1O[C@@H]2C/C(C)=C\CC[C@@]1(C)OC(C)=O ZINC000038734591 JI Annotated Anodyne CCOC(=O)CSCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 ZINC000038749399 JI Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@H]2O)O[C@H]1OC ZINC000038749452 JI Annotated Reactive CC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 ZINC000038801220 JI Annotated Mild COc1c(O)cc(CCN)c2c1SSc1c(CCN)cc(O)c(OC)c1SS2 ZINC000038801695 JI Annotated Reactive C/C=C(\C)C(=O)O[C@H]1c2cc3c(c4c2[C@]2(CO4)C(=CC(=O)C(OC)=C2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000038803217 JI Annotated Mild in-vitro biogenic C/C(=N\NC(=O)CC#N)[C@@H](CN1CCCCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O ZINC000038807370 JI Annotated Reactive C/C(=N\NC(=O)CC#N)[C@H](CN1CCCCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O ZINC000038807372 JI Annotated Reactive O=C(CN1C=C(/C=N/O)C=CC1)C1CCC(C2CCC(C(=O)CN3CCC[C@H](/C=N/O)C3)CC2)CC1 ZINC000038807864 JI Annotated Mild O=C(CN1C=C(/C=N/O)C=CC1)C1CCC(C2CCC(C(=O)CN3CCC[C@@H](/C=N/O)C3)CC2)CC1 ZINC000038807866 JI Annotated Mild CCOC(=O)O/N=C(\N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC(=O)OCC)cc3)o2)cc1 ZINC000038808936 JI Annotated Mild CC(=O)O[C@H]1CO[C@@]2(O)[C@@H]1OC(=O)[C@]2(O)C/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000038852187 JI Annotated Anodyne COC1=CC(=O)N(C(=O)[C@H](C)[C@@H](CCCCC(Cl)(Cl)C(C)(Cl)Cl)OC(N)=O)[C@H]1C ZINC000038912392 JI Annotated Anodyne COc1c(O)cc2c(c1CO)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000038943488 JI Annotated Mild CC[C@H](C)/C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(O)C[C@@H](C)OC(=O)[C@H]4[C@H]3C2=CO1 ZINC000038992657 JI Annotated Mild CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@H]1C(C)(C)OC(C)=O ZINC000038992716 JI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC(=O)[C@H](OC(C)=O)[C@@]21C ZINC000038992935 JI Annotated Mild CC(=O)O[C@H]1C(=O)C=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@@H](OC(=O)C(C)C)[C@]21C ZINC000039014199 JI Annotated Mild CC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@H](OC(=O)C=C(C)C)[C@@]12C ZINC000039014593 JI Annotated Anodyne COc1ccc(-c2cc3c(c(=O)o2)C[C@H]2[C@@](C)(CC[C@@]4(O)C(C)(C)[C@H](O)CC[C@]24C)O3)cc1 ZINC000039145221 JI Annotated Anodyne CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)C[C@@H](C)OC(=O)[C@H]4[C@H]3C2=CO1 ZINC000039145443 JI Annotated Mild CC(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)C[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]2C1(C)C)C[C@]4(O)CO ZINC000039166248 JI Annotated Anodyne C[C@@H]1C[C@H]2[C@]3(C)CC[C@]4(C)C(=CC(=O)c5c4cc(O)c(O)c5C=O)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O ZINC000039182952 JI Annotated Mild Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000039187972 JI Annotated Mild COc1cc(N)ccc1-c1ccc2c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)n[nH]c2c1 ZINC000039225608 JI Annotated Anodyne O=C(NC1Cc2ccccc2C1)c1cccc(Nc2ccnc(N3CCN(c4ccccc4)CC3)n2)c1 ZINC000039267484 JI Annotated Anodyne COc1cccc(Nc2cc(Nc3cccc(C(=O)N(C)CCc4ccccn4)c3)nc(N)n2)c1 ZINC000039301499 JI Annotated Anodyne Cc1cccc(Oc2ccnc(N3CCN(CC(=O)Nc4cccc5c4CCCC5)CC3)n2)c1 ZINC000039301684 JI Annotated Anodyne COc1ccccc1[C@@H]1CN(CC(=O)NC[C@H]2OCCc3ccccc32)Cc2ccccc2O1 ZINC000039353637 JI Annotated Anodyne COc1ccccc1[C@H]1CN(CC(=O)NC[C@H]2OCCc3ccccc32)Cc2ccccc2O1 ZINC000039353638 JI Annotated Anodyne CC(C)CN1CCN(c2nc(C#N)c3c(c2C(=S)NC2CCCCC2)CC(C)(C)OC3)CC1 ZINC000039930507 JI Annotated Mild CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccc(CO)o2)nc(-c2ccncc2)n1 ZINC000039960785 JI Annotated Anodyne COc1cc(-c2[nH]nc3c2[C@@H](c2ccccc2Br)C(C#N)=C(N)O3)cc(OC)c1OC ZINC000004008408 JI Annotated Reactive COc1cc(-c2[nH]nc3c2[C@H](c2ccccc2Br)C(C#N)=C(N)O3)cc(OC)c1OC ZINC000004008409 JI Annotated Reactive COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004036866 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004036868 JI Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004036947 JI Annotated Bother Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004036951 JI Annotated Bother COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000004037449 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000004037455 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004038987 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004038990 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004038992 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004039435 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004039436 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004039438 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004039442 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040960 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040963 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004040965 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004040968 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004041003 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004041007 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004041015 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004041025 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004041094 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004041095 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004041100 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004041104 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042119 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042127 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042143 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042167 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004043046 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004043054 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004043072 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004043079 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004043336 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004043340 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043555 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043557 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043559 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043568 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043618 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043619 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043620 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043621 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043655 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043656 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043658 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043659 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004043921 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004043934 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004043939 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004043943 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044083 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044088 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044091 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044094 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004044496 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004044498 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004044500 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004044502 JI Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004044643 JI Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004044646 JI Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004044648 JI Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004044650 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044706 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044708 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044712 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044714 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004044779 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004044781 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004044783 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004044785 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004044909 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004044910 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004045148 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004045150 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004045152 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004045153 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004045189 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004045193 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004045196 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004045197 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045221 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045223 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045224 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045275 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045280 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045283 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004045387 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004045390 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004045398 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004045402 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045493 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045497 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045498 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045499 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)c1OC ZINC000004045702 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)c1OC ZINC000004045704 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)c1 ZINC000004045802 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)c1 ZINC000004045803 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)cc(OC)c1 ZINC000004045895 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)cc(OC)c1 ZINC000004045897 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)c1OC ZINC000004046441 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)c1OC ZINC000004046443 JI Annotated Anodyne CC[C@@H]1CCCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3)nc2n1 ZINC000004048725 JI Annotated Anodyne CC[C@H]1CCCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3)nc2n1 ZINC000004048726 JI Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000004048731 JI Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000004048732 JI Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000004048733 JI Annotated Anodyne CC1CCN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)CC1 ZINC000004048842 JI Annotated Anodyne CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3)nc2n1 ZINC000004048887 JI Annotated Anodyne CCN(c1ccc2[nH]c(=O)c(CCCNC(=O)OCc3ccccc3)nc2n1)C1CCCCC1 ZINC000004048893 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049118 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049119 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049120 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049121 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004049415 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004049416 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004049417 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004049418 JI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004049555 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004049556 JI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004049557 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004049558 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000004049571 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000004049572 JI Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004049581 JI Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004049582 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049677 JI Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049678 JI Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049679 JI Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049680 JI Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004050790 JI Annotated Bother C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004050792 JI Annotated Bother C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004050795 JI Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004050834 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004050836 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004050837 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004050839 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004050901 JI Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004050903 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004050904 JI Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004050905 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004051162 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004051163 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004051165 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004051278 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004051282 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004051284 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004051556 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004051559 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004051560 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004051563 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004051627 JI Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004051628 JI Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004051630 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051640 JI Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051641 JI Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051643 JI Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051644 JI Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004051645 JI Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004051646 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004051648 JI Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004051650 JI Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004051884 JI Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004051888 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004051890 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004052815 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004052816 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2OC)cc(OC)c1 ZINC000004052983 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2OC)cc(OC)c1 ZINC000004052985 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053202 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053204 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053206 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000004053309 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000004053311 JI Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000004053335 JI Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000004053342 JI Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004053469 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004053473 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004053486 JI Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004053489 JI Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004054013 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004054014 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004054015 JI Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004054063 JI Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004054064 JI Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004054069 JI Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004054070 JI Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054543 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054544 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054546 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054616 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054618 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054620 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054622 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004054701 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004054703 JI Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054870 JI Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054873 JI Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054878 JI Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054879 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004055024 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000004055025 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004055026 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000004055027 JI Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055052 JI Annotated Bother C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055053 JI Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055054 JI Annotated Bother C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055055 JI Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055063 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055064 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055065 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055158 JI Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055159 JI Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055160 JI Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055161 JI Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004055270 JI Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004055271 JI Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004055272 JI Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004055273 JI Annotated Bother N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055322 JI Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055323 JI Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055324 JI Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055325 JI Annotated Mild COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCC#N)cc1OC ZINC000004055346 JI Annotated Mild COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCC#N)cc1OC ZINC000004055347 JI Annotated Mild COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCC#N)cc1OC ZINC000004055348 JI Annotated Mild COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCC#N)cc1OC ZINC000004055349 JI Annotated Mild COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055362 JI Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055363 JI Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055364 JI Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055365 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCC#N ZINC000004055576 JI Annotated Mild COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCC#N ZINC000004055577 JI Annotated Mild COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCC#N ZINC000004055578 JI Annotated Mild COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCC#N ZINC000004055579 JI Annotated Mild COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055612 JI Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055613 JI Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004055614 JI Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004055615 JI Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055636 JI Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055637 JI Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055638 JI Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055639 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055673 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055674 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055675 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055676 JI Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000004056029 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000004056030 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000004056031 JI Annotated Anodyne O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000004056084 JI Annotated Anodyne O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000004056085 JI Annotated Anodyne COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCCc3ccccc32)cc1 ZINC000004057035 JI Annotated Anodyne O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000004057147 JI Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004057152 JI Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004057153 JI Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004057154 JI Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004057155 JI Annotated Anodyne C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4)CC3)c1)c1ccccc1O2 ZINC000004057399 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)c1 ZINC000004075428 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)c1 ZINC000004075429 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)cc(OC)c1 ZINC000004075448 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)cc(OC)c1 ZINC000004075449 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075568 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075569 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075570 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075571 JI Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004075599 JI Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004075600 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075611 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075612 JI Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004076084 JI Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004076089 JI Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004076103 JI Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004076113 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076253 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076256 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076263 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076275 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004076341 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004076349 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004076354 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004076361 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)cc1OC ZINC000004076410 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)cc1OC ZINC000004076417 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004076691 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004076693 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004076694 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004076695 JI Annotated Anodyne Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000004077049 JI Annotated Anodyne aggregator Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000004077056 JI Annotated Anodyne aggregator CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004077334 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004077338 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004077360 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004077465 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004077467 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004077666 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004077671 JI Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)c1 ZINC000004077715 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)c1 ZINC000004077725 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077841 JI Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077855 JI Annotated Bother COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004078165 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004078171 JI Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)ccc1OC ZINC000004078472 JI Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)ccc1OC ZINC000004078481 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC ZINC000004078988 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004079000 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079362 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079369 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079374 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079390 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079465 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079470 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079479 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079489 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)cc1OC ZINC000004079559 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)cc1OC ZINC000004079572 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080026 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080030 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004080068 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004080071 JI Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2N)c1 ZINC000004080147 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2N)c1 ZINC000004080148 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004080152 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004080155 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080200 JI Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080205 JI Annotated Bother COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000004080244 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000004080247 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)c1OC ZINC000004080341 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)c1OC ZINC000004080347 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080451 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080452 JI Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)c1 ZINC000004080453 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1N ZINC000004080454 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1N ZINC000004080455 JI Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)c1 ZINC000004080459 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)cc(OC)c1 ZINC000004080534 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)cc(OC)c1 ZINC000004080536 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004080546 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004080548 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000004080554 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000004080556 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000004080660 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000004080661 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080761 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080762 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080764 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080766 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000004080781 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000004080783 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080824 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080826 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080827 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080829 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004080830 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004080833 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004080835 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004080874 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004080875 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004080877 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)c(OC)c1 ZINC000004080878 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)c(OC)c1 ZINC000004080879 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)c(OC)c1 ZINC000004080881 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)c(OC)c1 ZINC000004080882 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000004080893 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000004080894 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080909 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080911 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004080914 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004080916 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004080999 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004081001 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004081005 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004081162 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004081165 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000004081197 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000004081200 JI Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)cc1OC ZINC000004081375 JI Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)cc1OC ZINC000004081376 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004081377 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004081378 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004081379 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004081380 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004081394 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004081395 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004081398 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004081416 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004081417 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004081419 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)cc1OC ZINC000004081732 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)cc1OC ZINC000004081733 JI Annotated Anodyne Cc1cc(NC(=O)CCC(=O)N(c2cccc(F)c2)[C@H](C(=O)NC2CCCC2)c2ccncc2)no1 ZINC000004092309 JI Annotated Anodyne Cc1cc(NC(=O)CCC(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)no1 ZINC000004092313 JI Annotated Anodyne OCCOCOCc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1 ZINC000004097170 JI Annotated Anodyne in-vivo COc1c(C)c(O)c(Cc2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c(O)c1C(=O)C(C)C ZINC000004098456 JI Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1C[C@H](OC(C)=O)n2ccc(COC(=O)/C(=C/C)COC(=O)C=C(C)C)c21 ZINC000004098697 JI Annotated Anodyne in-vitro O=C(NCCCN1CCCC1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000004111390 JI Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC000004115488 JI Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC000004115490 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C(C)C)[C@H](C(=O)N[C@H]4CCCC[C@H]4C)[C@]34C=C[C@H]2O4)cc1 ZINC000004127938 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C(C)C)[C@H](C(=O)N[C@H]4CCCC[C@@H]4C)[C@]34C=C[C@H]2O4)cc1 ZINC000004127939 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C(C)C)[C@H](C(=O)N[C@@H]4CCCC[C@H]4C)[C@]34C=C[C@H]2O4)cc1 ZINC000004127940 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C(C)C)[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)[C@]34C=C[C@H]2O4)cc1 ZINC000004127941 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 ZINC000004128023 JI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 ZINC000004128025 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151879 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151880 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151881 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151882 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004151973 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004151974 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCN(CC)CC ZINC000004152038 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152040 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCN(CC)CC ZINC000004152041 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152043 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004152060 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004152061 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004152063 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004152065 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCN(CC)CC ZINC000004152497 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152498 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCN(CC)CC ZINC000004152499 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152500 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCN(CC)CC)c1 ZINC000004152505 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCN(CC)CC)c1 ZINC000004152506 JI Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCN(CC)CC)c1 ZINC000004152507 JI Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCN(CC)CC)c1 ZINC000004152508 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152513 JI Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152514 JI Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152515 JI Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152516 JI Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCN(CC)CC ZINC000004152517 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152518 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCN(CC)CC ZINC000004152519 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152520 JI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004152662 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004152664 JI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004152666 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004152668 JI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004152690 JI Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004152692 JI Annotated Bother CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004152693 JI Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004152694 JI Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCC#N ZINC000004152803 JI Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCC#N ZINC000004152805 JI Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCC#N ZINC000004152806 JI Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCC#N ZINC000004152808 JI Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCOC ZINC000004152871 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCOC ZINC000004152873 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCOC ZINC000004152874 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCOC ZINC000004152877 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCOC ZINC000004153342 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCOC ZINC000004153344 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCOC ZINC000004153345 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCOC ZINC000004153347 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153401 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153402 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153403 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153415 JI Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153416 JI Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153417 JI Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153418 JI Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153419 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153420 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153421 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153571 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153572 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153573 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153574 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000004153591 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000004153592 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000004153593 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000004153594 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153610 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153611 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153612 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153613 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004153629 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004153630 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004153631 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153702 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153703 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153704 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153705 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153722 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153723 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153724 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153725 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153867 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153868 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153869 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153870 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153883 JI Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153884 JI Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153885 JI Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153886 JI Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153887 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153888 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153889 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153890 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153949 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153950 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153951 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153952 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154005 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154006 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154007 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154355 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154356 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154373 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154374 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154391 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154392 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154518 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154524 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154527 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004155191 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004155192 JI Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004165553 JI Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCC(C(N)=O)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000004176671 JI Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N3CCC(C(N)=O)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000004176672 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCC(C(N)=O)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000004176674 JI Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C(N)=O)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000004176675 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004201188 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004201190 JI Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000004201930 JI Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000004201931 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204450 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004204473 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004204474 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004204475 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N(C)C ZINC000004204567 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N(C)C ZINC000004204568 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204571 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204573 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204575 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204579 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204894 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204897 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204900 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204903 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204958 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204961 JI Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205237 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205239 JI Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205241 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205243 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205352 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205355 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205359 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205364 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004205493 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004205496 JI Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205718 JI Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205720 JI Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205723 JI Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205726 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004206201 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000004206204 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004206205 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000004206207 JI Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206264 JI Annotated Bother C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206267 JI Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206269 JI Annotated Bother C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206271 JI Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004206290 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004206292 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004206294 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004206297 JI Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206553 JI Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206555 JI Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206557 JI Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206559 JI Annotated Bother CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004206815 JI Annotated Bother CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004206817 JI Annotated Bother CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004206819 JI Annotated Bother CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004206821 JI Annotated Bother N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004206953 JI Annotated Mild N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004206955 JI Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004206958 JI Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004206959 JI Annotated Mild COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCC#N)cc1OC ZINC000004207008 JI Annotated Mild COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCC#N)cc1OC ZINC000004207009 JI Annotated Mild COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCC#N)cc1OC ZINC000004207011 JI Annotated Mild COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCC#N)cc1OC ZINC000004207013 JI Annotated Mild COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207042 JI Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207044 JI Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004207047 JI Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004207051 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCC#N ZINC000004207525 JI Annotated Mild COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCC#N ZINC000004207526 JI Annotated Mild COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCC#N ZINC000004207527 JI Annotated Mild COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCC#N ZINC000004207528 JI Annotated Mild COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004207561 JI Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004207562 JI Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004207563 JI Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004207564 JI Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207585 JI Annotated Bother COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207586 JI Annotated Bother COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207587 JI Annotated Bother COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207588 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207624 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207625 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207626 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207627 JI Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000004208203 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000004208204 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000004208205 JI Annotated Anodyne O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000004208261 JI Annotated Anodyne O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000004208262 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004208410 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004208411 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004208412 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004208413 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004208458 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004208459 JI Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004208460 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004208461 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)C1 ZINC000004208503 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)C1 ZINC000004208504 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)C1 ZINC000004208505 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CCOCC1 ZINC000004208522 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CCOCC1 ZINC000004208523 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208546 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004208547 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004208853 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004208854 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208895 JI Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208907 JI Annotated Bother COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)c1OC ZINC000004209093 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)c1OC ZINC000004209097 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)c1 ZINC000004209192 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)c1 ZINC000004209195 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)cc(OC)c1 ZINC000004209292 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)cc(OC)c1 ZINC000004209296 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004210098 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004210104 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004210111 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004210119 JI Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)cc1OC ZINC000004211399 JI Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)cc1OC ZINC000004211402 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004211404 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211409 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004211412 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211414 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004211438 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004211439 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004211443 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004211477 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211478 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211481 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)cc1OC ZINC000004211832 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)cc1OC ZINC000004211833 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004212004 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004212007 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN1CCCC1 ZINC000004212012 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN1CCCC1 ZINC000004212018 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212383 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212387 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212392 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212396 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212432 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212435 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212437 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212439 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212579 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212581 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004212582 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004212584 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN(CC)CC ZINC000004212624 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN(CC)CC ZINC000004212627 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN(CC)CC ZINC000004212629 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN(CC)CC ZINC000004212633 JI Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000004213200 JI Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000004213205 JI Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000004213209 JI Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000004213216 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004213330 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004213331 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004213333 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004213335 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214086 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214088 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214090 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214094 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214120 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214121 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214123 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214125 JI Annotated Bother Cc1ccccc1OC[C@@H](CO[C@H](O)C(Cl)(Cl)Cl)O[C@H](O)C(Cl)(Cl)Cl ZINC000004214503 JI Annotated Anodyne in-man CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214944 JI Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214948 JI Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214950 JI Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214951 JI Annotated Bother CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215183 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215184 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215186 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215187 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215207 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215209 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215210 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215212 JI Annotated Bother CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215253 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215254 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215256 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215258 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215274 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215276 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215278 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215280 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215417 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215419 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215422 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215425 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N1CCOCC1 ZINC000004215610 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N1CCOCC1 ZINC000004215611 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N1CCOCC1 ZINC000004215612 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N1CCOCC1 ZINC000004215613 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216258 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216264 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216277 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216288 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004216464 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004216466 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000004216467 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000004216468 JI Annotated Anodyne CS(=O)(=O)N1CCC2(CCCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000004238036 JI Annotated Anodyne O=C(c1csnn1)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000004238105 JI Annotated Anodyne COc1ccc(Oc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1 ZINC000004238792 JI Annotated Anodyne COCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(Oc3cccc(Cl)c3)nc21 ZINC000004238881 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274883 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274884 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274885 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274887 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275103 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275104 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275105 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275106 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275107 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275108 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275109 JI Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275110 JI Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294972 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294973 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294976 JI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294978 JI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295014 JI Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295017 JI Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295019 JI Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295020 JI Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295972 JI Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295981 JI Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295984 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296376 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296377 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296378 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296379 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004296468 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004296469 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004296470 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004296471 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004296703 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004296704 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004296705 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004296706 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004296767 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004296768 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004296769 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004296770 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004296771 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004296772 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004296773 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCN(CC)CC ZINC000004296794 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCN(CC)CC ZINC000004296795 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCN(CC)CC ZINC000004296796 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCN(CC)CC ZINC000004296797 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004296814 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004296815 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004296816 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296919 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296920 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296921 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004297003 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004297004 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004297005 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004310334 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004310335 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004310336 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004310337 JI Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334417 JI Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334418 JI Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334450 JI Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334451 JI Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334474 JI Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334475 JI Annotated Anodyne COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000004435231 JI Annotated Anodyne COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000004435237 JI Annotated Anodyne COc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)O)cn3n2)cc1 ZINC000004437078 JI Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000004437529 JI Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000004437531 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000004437533 JI Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000004437537 JI Annotated Anodyne O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 ZINC000004455438 JI Annotated Anodyne Cc1ccc(C(=O)N/C(=C\c2cc(-c3ccccc3)nn2-c2ccccc2)C(=O)N2CCOCC2)cc1 ZINC000004497785 JI Annotated Anodyne Cc1ccccc1OC[C@H](CO[C@H](O)C(Cl)(Cl)Cl)O[C@H](O)C(Cl)(Cl)Cl ZINC000040163207 JI Annotated Anodyne in-man Cc1ccccc1OC[C@@H](CO[C@@H](O)C(Cl)(Cl)Cl)O[C@H](O)C(Cl)(Cl)Cl ZINC000040163208 JI Annotated Anodyne in-man CC(C)N(Cc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040379016 JI Annotated Anodyne CC(C)N(Cc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040379017 JI Annotated Anodyne Cc1ccc(/C=C2\CN(C(=O)CCSCCS(=O)(=O)O)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000040379544 JI Annotated Mild FC(F)(F)c1nc2cc(N3CCN(CCOc4cccc5[nH]c(=S)[nH]c45)CC3)ccc2[nH]1 ZINC000040379641 JI Annotated Anodyne O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1cc3c(cc1N2)OCO3 ZINC000040379764 JI Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1cc3c(cc1N2)OCO3 ZINC000040379765 JI Annotated Anodyne CC[C@]12CCC[N+]3([O-])C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 ZINC000040380303 JI Annotated Reactive N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccc(Cl)cc1)C(P(=O)(O)O)P(=O)(O)O ZINC000040380356 JI Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccc(Cl)cc1)C(P(=O)(O)O)P(=O)(O)O ZINC000040380357 JI Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccc(Cl)cc1)C(P(=O)(O)O)P(=O)(O)O ZINC000040380358 JI Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccc(Cl)cc1)C(P(=O)(O)O)P(=O)(O)O ZINC000040380359 JI Annotated Mild COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5)CC4)cc2)CC3)cc1 ZINC000040390770 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Br)c3cc(Br)ccc3N3C(=N)C4(CCCCC4)N1[C@H]32 ZINC000040390793 JI Annotated Anodyne CN(C)c1nnc([C@](F)([C@H]2Cc3[nH]c4ccc(Cl)cc4c3C2)S(=O)(=O)c2ccccc2)o1 ZINC000040391658 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1 ZINC000040392153 JI Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000040392312 JI Annotated Anodyne CS(=O)(=O)c1ccccc1-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040393125 JI Annotated Anodyne C=CCN1C(=S)S/C(=C/C=C2\Sc3ccccc3N2CCCS(=O)(=O)O)C1=S ZINC000040393154 JI Annotated Mild CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@H]1C(C)(C)OC(C)=O ZINC000040393325 JI Annotated Anodyne CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000040393355 JI Annotated Anodyne CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000040393356 JI Annotated Anodyne O=C(O)c1cn(C2CC2)c2cc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000040393953 JI Annotated Bother CCOC(=O)c1c(NCCN(CC)CC)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040394878 JI Annotated Anodyne Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(=N)N)c2c1 ZINC000040394900 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(-c4conn4)cc3)c3ccccc23)n1 ZINC000040394903 JI Annotated Anodyne CN(C)CCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1 ZINC000040395572 JI Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@](C)(COC(C)=O)OC(C)=O)O2 ZINC000040395757 JI Annotated Bother COC(CSc1ncnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3)OC ZINC000040404626 JI Annotated Anodyne COc1cccc(N/N=C(\c2cc(OC)c(OC)c(OC)c2)c2nc(-c3ccccc3)nnc2O)c1 ZINC000040405068 JI Annotated Mild Cc1nccn1CCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000040406609 JI Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040407257 JI Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040407260 JI Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040407263 JI Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040407266 JI Annotated Reactive COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 ZINC000040410818 JI Annotated Anodyne CN1CCN(c2cccc3nc(-c4[nH]nc5cc(C6=CC7=CC=CN[C@H]7C=C6)ccc45)[nH]c23)CC1 ZINC000040410935 JI Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(C)C)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000040411426 JI Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(C)C)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000040411429 JI Annotated Anodyne CCCOc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040411563 JI Annotated Anodyne O=C1CS[C@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040411572 JI Annotated Anodyne O=C1CS[C@@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040411574 JI Annotated Anodyne Cc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000040411922 JI Annotated Bother C/C=C(/C)C(=O)O[C@H]1c2cc3c(c4c2[C@]2(CO4)C(=CC(=O)C(OC)=C2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000040412378 JI Annotated Mild in-vitro biogenic CCN(CC)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1 ZINC000040412722 JI Annotated Anodyne COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)N3CCN1CCCCC1 ZINC000040413832 JI Annotated Bother CC1=C2CC(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]12COC(=O)C[C@@H]1OC(C)(C)[C@H]2CC(=O)O ZINC000040413964 JI Annotated Anodyne CCCCN(CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCCC3)O2)nn1)CCCC ZINC000040420186 JI Annotated Mild CCCN(C[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 ZINC000040420350 JI Annotated Anodyne CCCN(C[C@H]1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 ZINC000040420352 JI Annotated Anodyne CCCCN(CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)NC(C)C)O2)nn1)CCCC ZINC000040420461 JI Annotated Mild Cc1cc(C(=O)N2CC(F)(F)C2)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040421233 JI Annotated Anodyne C[C@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000040421836 JI Annotated Anodyne O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCN1CCOCC1 ZINC000040422836 JI Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(S(=O)(=O)c3ccccc3)cc2)C(=O)N1c1nccs1 ZINC000040423293 JI Annotated Anodyne CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3-c3cccc(F)c3)CC2)c(F)c1 ZINC000040423324 JI Annotated Anodyne O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 ZINC000040424262 JI Annotated Bother O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 ZINC000040424263 JI Annotated Bother COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cc(Cl)ccc2F)C(C)(C)C)cc1OC ZINC000040424292 JI Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cc(Cl)ccc2F)C(C)(C)C)cc1OC ZINC000040424293 JI Annotated Mild Cc1ccc([C@@H]2c3c(-c4ccccc4)nn(-c4ccc([N+](=O)[O-])cc4)c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 ZINC000040424671 JI Annotated Bother Cc1ccc([C@H]2c3c(-c4ccccc4)nn(-c4ccc([N+](=O)[O-])cc4)c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 ZINC000040424673 JI Annotated Bother O=S1(=O)CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1 ZINC000040425048 JI Annotated Anodyne COc1cc(C(=O)c2c(N)sc3c2CCN(C(=O)Oc2ccccc2)C3)cc(OC)c1OC ZINC000040425234 JI Annotated Anodyne N#Cc1cc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)cnc1OCC(F)(F)F ZINC000040425309 JI Annotated Mild CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CNC3CCCCC3)ccc21 ZINC000040429983 JI Annotated Anodyne Cn1c2c(c3ccccc31)[C@@](C)(c1ccc(OCC(=O)O)cc1)c1cc(C(=O)O)sc1C2=O ZINC000040465803 JI Annotated Anodyne Cn1c2c(c3ccccc31)[C@](C)(c1ccc(OCC(=O)O)cc1)c1cc(C(=O)O)sc1C2=O ZINC000040465805 JI Annotated Anodyne C[C@@H](COC(=O)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C\C#C[C@H]14)S(=O)(=O)c1ccccc1 ZINC000040503591 JI Annotated Mild CCCS(=O)(=O)N(c1cccc(OCc2nc3ccccc3s2)c1)S(=O)(=O)CCC ZINC000040504828 JI Annotated Anodyne O=c1c2ccccc2c(S(=O)(=O)c2ccc(Br)cc2)c(O)n1Cc1ccccc1 ZINC000040505204 JI Annotated Anodyne C[C@H]1O[C@@H](SCCCc2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000040505994 JI Annotated Anodyne C[C@@H]1O[C@@H](SCCCc2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000040505998 JI Annotated Anodyne CNC(=O)OCCCn1c(-c2cc3ccccc3s2)c(C2=C(C#N)C(=O)NC2=O)c2ccccc21 ZINC000040514463 JI Annotated Reactive CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@@H]3CC[C@H](CO)O3)c(Cl)c1Cl)C2 ZINC000040520830 JI Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@H]3CC[C@H](CO)O3)c(Cl)c1Cl)C2 ZINC000040520836 JI Annotated Mild N#CCCCCN(CCCN1CCN(CCC/N=C2\C=CN[C@H]3C=C(Cl)C=C[C@H]23)CC1)CC1CC1 ZINC000040533190 JI Annotated Mild N#CCCCCN(CCCN1CCN(CCC/N=C2\C=CN[C@@H]3C=C(Cl)C=C[C@H]23)CC1)CC1CC1 ZINC000040533192 JI Annotated Mild COc1ccc(/C=C2/C=C(/C=C/[C@@H]3[C@@]4(CC[C@H]5[C@@]3(C)CC[C@@H](O)[C@@]5(C)CO)CO4)C(=O)O2)cc1 ZINC000040556635 JI Annotated Anodyne CS(=O)(=O)NC[C@@H]1CCC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000040564220 JI Annotated Anodyne CS(=O)(=O)NC[C@H]1CCC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000040564223 JI Annotated Anodyne CS(=O)(=O)NC[C@@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000040564226 JI Annotated Anodyne CS(=O)(=O)NC[C@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000040564229 JI Annotated Anodyne CCCCCCOC(=O)C[C@H](NC(=O)c1ccc(OC)c(OC)c1O)C(=O)OCCCCCC ZINC000040565453 JI Annotated Anodyne Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCn1ccnc1 ZINC000040566042 JI Annotated Mild CC1(C)OCC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)C(C)(C)OCC1=N2 ZINC000040568011 JI Annotated Mild CC1(C)OCC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(O)C(C)(C)OCC1=N2 ZINC000040568013 JI Annotated Mild O=C1c2ccccc2[C@](N[C@@H](CO)[C@H](O)c2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040568278 JI Annotated Anodyne O=C1c2ccccc2[C@](N[C@H](CO)[C@H](O)c2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040568282 JI Annotated Anodyne CCC1(CC)OCC2=NC3=C(C(=O)COC3)[C@@H](c3ccc(F)c(Br)c3)C2=C1O ZINC000040568635 JI Annotated Mild CCC1(CC)OCC2=NC3=C(C(=O)COC3)[C@H](c3ccc(F)c(Br)c3)C2=C1O ZINC000040568637 JI Annotated Mild O=C1c2ccccc2[C@](N[C@@H](CO)[C@@H](O)c2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040575927 JI Annotated Anodyne O=C1c2ccccc2[C@@](N[C@@H](CO)[C@@H](O)c2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040575929 JI Annotated Anodyne C[C@H](Nc1c(-c2ccc(OCCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040576465 JI Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(NCCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040576469 JI Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCCO)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040576512 JI Annotated Anodyne CC[C@H](C)C[C@H](C)/C=C(\C)[C@H]1O[C@@H](c2c(O)c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000040577146 JI Annotated Anodyne C=C1C(=O)[C@@]23CC[C@H]4[C@H](C(=O)OC)C[C@@H](OC(=O)c5ccc6c(c5)OCO6)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000040585207 JI Annotated Mild COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(I)c1OC ZINC000040587745 JI Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(I)c1OC ZINC000040587746 JI Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2nc(C)c(C)nc32)cc(Br)c1OC ZINC000040587752 JI Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2nc(C)c(C)nc32)cc(Br)c1OC ZINC000040587753 JI Annotated Reactive CCNC(=O)O/N=C(\C)NCCCCCCCCCCCCN/C(C)=N/OC(=O)NCC ZINC000040602065 JI Annotated Mild Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1 ZINC000040617317 JI Annotated Reactive Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1 ZINC000040617319 JI Annotated Reactive CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)Nc3ccccc3Br)ccc2O1 ZINC000040620242 JI Annotated Anodyne COc1cc(-c2nc3n(c2-c2cc(OC)c(OC)c(OC)c2)CCS3)cc(OC)c1OC ZINC000040632286 JI Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(C)=O)c2ccccc2)[C@@]3(C)C1(C)C ZINC000040646179 JI Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(C)=O)c2ccccc2)[C@@]3(C)C1(C)C ZINC000040646181 JI Annotated Mild CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@]1(C)C(=O)C1=C(O)CNC1=O ZINC000040682922 JI Annotated Mild C[C@H](Nc1c(-c2c(F)ccc(OCCCN(C)C)c2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040752794 JI Annotated Anodyne COc1cc(C2=C(c3cc(C)c(OC)c(C)c3)[C@@H](OC(C)=O)C/C2=N/O)cc(OC)c1OC ZINC000040753230 JI Annotated Mild COc1cc(C2=C(c3cc(C)c(OC)c(C)c3)[C@H](OC(C)=O)C/C2=N/O)cc(OC)c1OC ZINC000040753233 JI Annotated Mild COC[C@@H]1C[C@H](OC)[C@@H](O)CC/C=C(C)/C=C/[C@@H](O)[C@H](C)/C=C(C)/C=C(C)/C=C(\C)C(=O)O1 ZINC000040763969 JI Annotated Anodyne CC[C@H]1OCC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(Br)c(Br)c1 ZINC000040764339 JI Annotated Mild CCc1ccccc1[C@H]1CCN(Cc2cccnc2)[C@@H](c2ccc(O)c(NC(N)=O)c2)[C@@H]1[N+](=O)[O-] ZINC000040767294 JI Annotated Bother CC(=O)O[C@H]1/C(=C/C[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000040786631 JI Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000040786633 JI Annotated Anodyne Cn1c(O)c(C2=Nc3ccccc3/C2=N\OCCn2ccnc2)c2cccc(Br)c21 ZINC000040822393 JI Annotated Mild O=C(O)c1ccc(NC(=S)[C@@H]2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1O ZINC000040835167 JI Annotated Clean O=C(O)c1ccc(NC(=S)[C@H]2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1O ZINC000040835169 JI Annotated Clean Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000040835459 JI Annotated Bother CCOC(=O)c1cc2c(CN3CCCC3)c(O)c(OC)cc2nc1C[S@@](=O)c1ccc(F)cc1 ZINC000040835461 JI Annotated Clean CCOC(=O)c1cc2c(CN3CCCC3)c(O)c(OC)cc2nc1C[S@](=O)c1ccc(F)cc1 ZINC000040835463 JI Annotated Clean COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)c(NCc3ccccc3)c(OC)c1C2=O ZINC000040836651 JI Annotated Mild CN(C)c1noc([C@](F)([C@H]2Cc3[nH]c4ccc(Cl)cc4c3C2)S(=O)(=O)c2ccccc2)n1 ZINC000040845228 JI Annotated Anodyne C=C1[C@H](OC(C)=O)C[C@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\COC(C)=O ZINC000040845767 JI Annotated Mild CNC(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1 ZINC000040845817 JI Annotated Anodyne CC(C)C[C@@H]1N[C@@H](C(=O)Nc2ccccc2)CCCC[C@@H](/C=C/S(=O)(=O)c2ccccc2)NC1=O ZINC000040845982 JI Annotated Anodyne COc1ccc(CCN(C[C@H](O)COc2ccc3c(c2)CCCN3)C(=O)OC(C)(C)C)cc1OC ZINC000040846554 JI Annotated Anodyne COc1ccc(CCN(C[C@@H](O)COc2ccc3c(c2)CCCN3)C(=O)OC(C)(C)C)cc1OC ZINC000040846556 JI Annotated Anodyne COc1c(O)cc2c(c1CO)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@@]3(C)CC[C@]12C ZINC000040847438 JI Annotated Mild Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(OC(F)(F)F)cc1C)CC2 ZINC000040847862 JI Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)nc1 ZINC000040847925 JI Annotated Reactive NC(=O)c1ccc(F)c2c1C[C@@H](N(CC1CC1)C[C@H]1CCc3[nH]c4ccc(F)cc4c3C1)CO2 ZINC000040848689 JI Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CC1CC1)C[C@@H]1CCc3[nH]c4ccc(F)cc4c3C1)CO2 ZINC000040848691 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040849166 JI Annotated Anodyne CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cccc(I)c21 ZINC000040859901 JI Annotated Reactive Nc1nc(Cc2ccc(Br)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000040860657 JI Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000040860859 JI Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(C)=O)[C@H](C)[C@H](C)[C@@H]2O ZINC000040861426 JI Annotated Anodyne COC(=O)[C@](F)([C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1)S(=O)(=O)c1cccc(F)c1 ZINC000040861441 JI Annotated Anodyne CN1C/C(=C\c2cccs2)C(=O)[C@]2(C1)[C@@H](c1cccs1)CN(C)[C@@]21C(=O)Nc2ccccc21 ZINC000040862156 JI Annotated Mild NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO ZINC000040862219 JI Annotated Bother O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCC(N4CCCCC4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000040862459 JI Annotated Bother C=C(C)[C@H]1COc2c(C)cc3oc4c([C@H](OC)[C@@H]5OC5(C)C)ccc(O)c4c(=O)c3c2[C@@H]1O ZINC000040863253 JI Annotated Mild C=C(C)[C@H]1COc2c(C)cc3oc4c(C[C@H](Cl)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O ZINC000040865101 JI Annotated Reactive CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO[N+](=O)[O-])[C@H]4O[N+](=O)[O-] ZINC000040865410 JI Annotated Anodyne COC(=O)C(=C(/C)c1cc(OC)cc(OC)c1)/C(=C\c1ccccc1)C(=O)NCc1cccnc1 ZINC000040866342 JI Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1 ZINC000040866385 JI Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000040866479 JI Annotated Mild in-vitro biogenic CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc(C(=O)O)c1 ZINC000040867326 JI Annotated Anodyne Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@@H]3CCCC[C@@H]3NC(=N)N)c2c1 ZINC000040872395 JI Annotated Anodyne CC(C)=CN1C[C@@H](c2ccccc2)[C@H](C(=O)N/N=C(\C)c2cccc(Br)c2)C1=O ZINC000040872573 JI Annotated Reactive CNC(=O)c1cccc(Sc2ccc(NC(=O)NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000040872634 JI Annotated Bother O=C1C=CC[C@H]([C@H](O)[C@@H](c2ccccc2)c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)O1 ZINC000040872943 JI Annotated Anodyne in-vitro biogenic COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000040873757 JI Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000040873996 JI Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000040873998 JI Annotated Mild CCN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)c1cnccc1n2CC ZINC000040875409 JI Annotated Anodyne CCN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)c1c[n+](CC)ccc1n2CC ZINC000040875411 JI Annotated Anodyne COc1ccc(/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000040876855 JI Annotated Reactive CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)CCc4ccccc4)ccc3CC[C@H]2O)cc1 ZINC000040878090 JI Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040878112 JI Annotated Anodyne CN1CCN(CC(=O)O[C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040878117 JI Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2CC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040878121 JI Annotated Anodyne Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@@H]3NC(=N)N)c2c1 ZINC000040878772 JI Annotated Anodyne COc1cc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc32)cc(OC)c1OC ZINC000040879128 JI Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000040881148 JI Annotated Mild O=C(Nc1ccc(Cc2ccccc2)cc1)Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1 ZINC000040891810 JI Annotated Anodyne CC[C@@H](C)C(=O)C1=C(O)[C@]2(C[C@H]3[C@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)[C@](C)(CC=C(C)C)C1=O ZINC000040892080 JI Annotated Mild CC[C@H](C)C(=O)C1=C(O)[C@]2(C[C@H]3[C@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)[C@](C)(CC=C(C)C)C1=O ZINC000040892082 JI Annotated Mild Cc1cc(C(=O)N2CC(F)(F)C2)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040892134 JI Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@](C)(COC(C)=O)OC(C)=O)O2 ZINC000040892426 JI Annotated Bother CCCN1C(=O)[C@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000040892949 JI Annotated Mild CCCN1C(=O)[C@@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000040892952 JI Annotated Mild C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(C(F)(F)F)cc3)nn2)O1 ZINC000040893804 JI Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(C(C)C)C2=C1C(=O)CC(C)(C)C2 ZINC000040894097 JI Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(C(C)C)C2=C1C(=O)CC(C)(C)C2 ZINC000040894100 JI Annotated Mild COc1ccc(CNc2cnc(-c3ccc(C[C@H](N)C(=O)O)cc3)cn2)c(OC2CCCC2)c1 ZINC000040895674 JI Annotated Anodyne COC(=O)[C@H](C(=O)n1cccn1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040895817 JI Annotated Anodyne COC(=O)[C@H](C(=O)n1cccn1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040895820 JI Annotated Anodyne COC(=O)[C@@H](C(=O)n1cccn1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040895823 JI Annotated Anodyne COC(=O)[C@@H](C(=O)n1cccn1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040895826 JI Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(C2CCC2)C2=C1C(=O)CC(C)(C)C2 ZINC000040897723 JI Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(C2CCC2)C2=C1C(=O)CC(C)(C)C2 ZINC000040897725 JI Annotated Mild COc1noc2c(C)cc(/C(=C\CCN3CCOC3=O)c3cc(C)c4oc(=O)n(C)c4c3)cc12 ZINC000040898743 JI Annotated Anodyne O=C(O)C[C@@H](c1cccnc1)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O ZINC000040900169 JI Annotated Anodyne O=C(O)C[C@H](c1cccnc1)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O ZINC000040900172 JI Annotated Anodyne CN1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@@H](c1ccccc1)CN(C)[C@@]21C(=O)N(C)c2ccccc21 ZINC000040914827 JI Annotated Mild CCCN(Cc1ccccc1Br)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040915653 JI Annotated Anodyne CCCN(Cc1ccccc1Br)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040915655 JI Annotated Anodyne COc1cc(/C(=N\Nc2ccc(Cl)cc2)c2nc(-c3ccccc3)n[nH]c2=O)cc(OC)c1OC ZINC000040915659 JI Annotated Mild CCCN(Cc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040915962 JI Annotated Anodyne CCCN(Cc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040915964 JI Annotated Anodyne CC[C@H](Oc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1)C(F)(F)C(F)(F)F ZINC000040916033 JI Annotated Mild CC[C@@H](Oc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1)C(F)(F)C(F)(F)F ZINC000040916035 JI Annotated Mild COc1ccc2c(c1)/C(=C\c1cccc(/C=C3/C(=O)N(C)c4ccc(OC)cc43)n1)C(=O)N2C ZINC000040916092 JI Annotated Anodyne NNC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@H](NN)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040916405 JI Annotated Anodyne NNC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@@H](NN)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040916407 JI Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040916449 JI Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040916451 JI Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040916453 JI Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040916455 JI Annotated Reactive Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccccc4Br)CC3)cc1CC2 ZINC000040916589 JI Annotated Anodyne CN1C(=O)/C(=N\NC(=S)Nc2ccc(Br)cc2)c2cc(OC(F)(F)F)ccc21 ZINC000040916997 JI Annotated Mild CN(C)C12C[C@H](c3ccccc3)C([C@H](OC(=O)CN3CCC(O)CC3)C1)[C@H](c1ccccc1)C2 ZINC000040917539 JI Annotated Anodyne CN(C)C12C[C@@H](OC(=O)CN3CCC(O)CC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040917541 JI Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](OC(=O)CN1CCC(O)CC1)C2 ZINC000040917543 JI Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(N3CCSCC3)cc2)C(=O)N1c1nccs1 ZINC000040917712 JI Annotated Anodyne CC(C)N(Cc1ccccc1Br)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040917852 JI Annotated Anodyne CC(C)N(Cc1ccccc1Br)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040917853 JI Annotated Anodyne CO[C@]1(C)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000040917876 JI Annotated Anodyne CC[C@@]1(O)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000040918139 JI Annotated Anodyne O=C1CS[C@@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040918160 JI Annotated Anodyne O=C1CS[C@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040918161 JI Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@H](OC(=O)CCN3CCC(O)CC3)C1)[C@H](c1ccccc1)C2 ZINC000040918737 JI Annotated Anodyne CN(C)C12C[C@@H](OC(=O)CCN3CCC(O)CC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040918738 JI Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](OC(=O)CCN1CCC(O)CC1)C2 ZINC000040918739 JI Annotated Anodyne COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](OC(C)=O)C[C@H]3c2ccccc2)cc1 ZINC000040918771 JI Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(C(=O)N3CCCCC3)cc2)C(=O)N1c1nccs1 ZINC000040918881 JI Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(C(F)(F)F)cc3)nn2)O1 ZINC000040933043 JI Annotated Mild Cc1nc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)N(CC(=O)O)Cc1nc2ccccc2s1 ZINC000040933648 JI Annotated Bother CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOC(=O)Nc3cccc(C)c3)nn2)O1 ZINC000040933696 JI Annotated Mild Cc1oc(-c2cccc(-c3ccn[nH]3)c2)nc1C(=O)N(CC(=O)O)Cc1nc2ccccc2s1 ZINC000040933820 JI Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccc(C(F)(F)F)cc3)nn2)O1 ZINC000040933944 JI Annotated Mild C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccc3)nn2)O1 ZINC000040934085 JI Annotated Mild CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@@H](O)[C@@H](C)C/C=C/Cc2ccc(F)c(O)c2C(=O)O1 ZINC000040934128 JI Annotated Anodyne CCCC[C@H]1CN(C(=O)NC)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040934546 JI Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccc3ccccc13)n2CCC(N)=O ZINC000040934781 JI Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3ccccc3c1)n2CCC(N)=O ZINC000040934783 JI Annotated Anodyne CCSC(=S)SCC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000040935293 JI Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN3CCC(c4ccccc4)CC3)nn2)O1 ZINC000040935699 JI Annotated Mild C=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CCC[C@]3(C)CO[C@@H]2O[C@@H](COC(C)=O)[C@H](O)[C@H]2O)C1 ZINC000040935785 JI Annotated Mild NC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3c(F)cc(F)cc13)C1CCC1)CO2 ZINC000040938829 JI Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3c(F)cc(F)cc13)C1CCC1)CO2 ZINC000040938831 JI Annotated Anodyne O=C1c2ccccc2C(=O)N1COC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000040939679 JI Annotated Bother CN(C)CCCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 ZINC000040940485 JI Annotated Anodyne CCOC(=O)C[C@H](C)NC(=O)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000040950913 JI Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(C(F)(F)F)c(N3CCN(c4nc5ccccc5s4)CC3)cc21 ZINC000040951511 JI Annotated Anodyne C/C(=C/Sc1sc([N+](=O)[O-])cc1[N+](=O)[O-])n1c(C(=O)c2ccc(Cl)cc2)noc1=O ZINC000040952099 JI Annotated Bother COc1cc(OCC(C)C)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 ZINC000040952159 JI Annotated Bother CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000040952231 JI Annotated Anodyne CC(C)CCc1cc(S(=O)(=O)Cc2ccccc2)nc(S(=O)(=O)Cc2ccccc2)n1 ZINC000040952247 JI Annotated Anodyne C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000040953051 JI Annotated Anodyne CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000040953632 JI Annotated Anodyne CCC(=O)O[C@@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C ZINC000040953739 JI Annotated Anodyne CC(=O)N1CCN(c2nncc3cc(-c4c(C)ccc5c(NC6CC6)noc45)ccc23)[C@@H](C)C1 ZINC000040954656 JI Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)COC ZINC000040954737 JI Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)COC ZINC000040954739 JI Annotated Anodyne CCCN(CCC)C(=O)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n12 ZINC000040954947 JI Annotated Anodyne CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1 ZINC000040955022 JI Annotated Anodyne CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)n2)CC1 ZINC000040955332 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)c1cc(CCc2ccccc2)nc(S(=O)(=O)Cc2ccccc2)n1 ZINC000040957377 JI Annotated Anodyne C[C@@H](NCc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C ZINC000040972343 JI Annotated Anodyne COc1cc(C(=O)c2c(N)sc3c2CCN(C(=S)NC2CCCCC2)C3)cc(OC)c1OC ZINC000040973913 JI Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)CCC1(CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC1)O2 ZINC000040974140 JI Annotated Anodyne NC[C@H](Cc1ccccc1F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 ZINC000040975216 JI Annotated Anodyne N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccccc1Cl)C(P(=O)(O)O)P(=O)(O)O ZINC000040976560 JI Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccccc1Cl)C(P(=O)(O)O)P(=O)(O)O ZINC000040976561 JI Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccccc1Cl)C(P(=O)(O)O)P(=O)(O)O ZINC000040976563 JI Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccccc1Cl)C(P(=O)(O)O)P(=O)(O)O ZINC000040976565 JI Annotated Mild O=C1C=C(/C=C/c2ccc(O)cc2)[C@H]2C(=O)[C@@H]1[C@H](c1ccc(O)cc1)[C@H]2c1cc(O)cc(O)c1 ZINC000040976819 JI Annotated Mild COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN5CCCC5)CC4)cc2)CC3)cc1 ZINC000040980804 JI Annotated Mild O=C1[C@H](C(=S)Nc2ccc(S(=O)(=O)O)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000040981036 JI Annotated Clean O=C1[C@@H](C(=S)Nc2ccc(S(=O)(=O)O)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000040981037 JI Annotated Clean CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@H]3C[C@]4(C)O[C@@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6[C@]4([C@@H]12)[C@@H]35 ZINC000042807138 JI Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C(=O)CC[C@@](C)(C[C@]3(O)C(=O)O[C@@H]4[C@H]5C(=C)CC[C@H]5C(=C)CC[C@H]43)[C@H]21 ZINC000042807177 JI Annotated Mild in-vitro biogenic CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@H]3[C@](C)(CC[C@]12CBr)[C@@H](Br)CC(=O)[C@]3(C)O ZINC000042808551 JI Annotated Reactive CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000042834933 JI Annotated Anodyne COC1=CC(C)=C2O[C@@]3(C[C@@]2(OO)C1=O)[C@@H](O)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000042851018 JI Annotated Reactive COC1=CC(C)=C2O[C@@]3(C[C@]2(OO)C1=O)[C@@H](O)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000042851021 JI Annotated Reactive C=C(C)[C@H]1Cc2c(ccc(O)c2OC/C=C(\C)CO)C2=C1C(=O)C(c1ccc(O)cc1)=C(OC)C2=O ZINC000042851363 JI Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)O ZINC000042851377 JI Annotated Mild in-vitro C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@H]1CC3=O)[C@H](C)C(=O)O ZINC000042851380 JI Annotated Mild in-vitro biogenic C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)O ZINC000042851383 JI Annotated Mild in-vitro CC(=O)O[C@@H]1[C@H](Oc2c(O)c(C)cc3c2[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@@H](O)[C@H]1O ZINC000042876542 JI Annotated Anodyne CC(C)[C@@H]1C=CC(=O)[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr ZINC000042877164 JI Annotated Reactive CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]132 ZINC000042877633 JI Annotated Mild CC/C(C)=C\C(=O)O[C@H]1[C@H](O[C@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)O[C@H](C)[C@H](O)[C@@H]1O ZINC000042877777 JI Annotated Anodyne CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC/C(C)=C/[C@H](O)[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 ZINC000042878082 JI Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(CN(C(=O)OC(C)(C)C)C3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000042878168 JI Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(CN(C(=O)OC(C)(C)C)C3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000042878172 JI Annotated Anodyne COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(CN(C)C3CCCCC3)ccc21 ZINC000042878548 JI Annotated Mild CCOC(=O)c1cc2c(CN3CCCC3)c(O)c(OC)cc2nc1CSc1ccccn1 ZINC000042887626 JI Annotated Clean O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1 ZINC000042891364 JI Annotated Anodyne C=CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(c31)[C@H]1Cc3ccccc3N21 ZINC000042891869 JI Annotated Mild C=CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(c31)[C@@H]1Cc3ccccc3N21 ZINC000042891875 JI Annotated Mild O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 ZINC000042967228 JI Annotated Mild O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 ZINC000042967230 JI Annotated Mild CN(C)c1ccc(/C=N/n2c(-c3ccc(S(=O)(=O)c4ccccc4)cc3)n[nH]c2=S)cc1 ZINC000043010757 JI Annotated Mild C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-c4nc5ccc([N+](=O)[O-])cc5s4)cn1c23 ZINC000043011919 JI Annotated Bother CN1CCC[C@H](COc2ccc(CCNC(=O)c3cc(Br)c[nH]3)cc2Br)C1 ZINC000043014111 JI Annotated Anodyne CN1CCC[C@@H](COc2ccc(CCNC(=O)c3cc(Br)c[nH]3)cc2Br)C1 ZINC000043014114 JI Annotated Anodyne O=[N+]([O-])c1cccc(/C=N/n2c(-c3ccc(S(=O)(=O)c4ccccc4)cc3)n[nH]c2=S)c1 ZINC000043015811 JI Annotated Mild Cc1ccc([C@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@]23CN(C)CCC3=O)cc1 ZINC000043016343 JI Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(-c3ccc(-n4cncn4)cc3)nc3c(F)cc(F)cc32)cc1 ZINC000043017209 JI Annotated Anodyne CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1 ZINC000043017638 JI Annotated Anodyne CCCn1c(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)nn(CN2CCOCC2)c1=S ZINC000043018712 JI Annotated Anodyne C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000043019701 JI Annotated Mild COc1ccc(C2=NN(C(=O)CNc3ccc(/C(C)=N/O)cc3)[C@H](c3ccco3)C2)cc1OC ZINC000043020015 JI Annotated Mild COc1ccc(C2=NN(C(=O)CNc3ccc(/C(C)=N/O)cc3)[C@@H](c3ccco3)C2)cc1OC ZINC000043020017 JI Annotated Mild COc1c([C@]2(O)COc3c4c(cc(O)c3C2=O)OC(C)(C)CC4)ccc2c1CCC(C)(C)O2 ZINC000043020842 JI Annotated Anodyne C#CCn1cc(C(=O)N[C@@H](CC(=O)Nc2ccccc2)c2ccccc2)c(=O)c2ccc(Cl)nc21 ZINC000043021482 JI Annotated Mild C#CCn1cc(C(=O)N[C@H](CC(=O)Nc2ccccc2)c2ccccc2)c(=O)c2ccc(Cl)nc21 ZINC000043021485 JI Annotated Mild CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C[C@H](O)[C@H](O)/C=C/C=C/C=C/C(=O)N1 ZINC000043052773 JI Annotated Anodyne in-vitro CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)C[C@H](O)[C@H](O)/C=C/C=C/C=C/C(=O)N1 ZINC000043052776 JI Annotated Anodyne in-vitro O=C(OCCO[N+](=O)[O-])c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000043059312 JI Annotated Anodyne COc1ccccc1/C=N/n1c(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n[nH]c1=S ZINC000043060342 JI Annotated Mild CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCCN(C)C)c(OC)c2)n1)c1cccnc1 ZINC000043062089 JI Annotated Anodyne CCC[C@@H](Nc1cncc(-c2ccc(NC(=O)NCCN(C)C)c(OC)c2)n1)c1cccnc1 ZINC000043062092 JI Annotated Anodyne CCCNc1nc(NCCC)nc(Nc2nc(SC)cc(-c3ccc(OC)c(OC)c3)n2)n1 ZINC000043065585 JI Annotated Anodyne O=C(O)Cc1c(C2(c3[nH]c4ccccc4c3CC(=O)O)C(=O)Nc3ccccc32)[nH]c2ccccc12 ZINC000043071529 JI Annotated Anodyne CCS(=O)(=O)N1CCc2c(ccc(C)c2NC(=O)Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000043071591 JI Annotated Anodyne COc1ccc(C2=NN(C(=O)[C@H](C)O[N+](=O)[O-])[C@H](c3c(Cl)cccc3Cl)C2)cc1OC ZINC000043072475 JI Annotated Anodyne COc1ccc(C2=NN(C(=O)[C@@H](C)O[N+](=O)[O-])[C@H](c3c(Cl)cccc3Cl)C2)cc1OC ZINC000043072479 JI Annotated Anodyne COc1ccc(C2=NN(C(=O)[C@H](C)O[N+](=O)[O-])[C@@H](c3c(Cl)cccc3Cl)C2)cc1OC ZINC000043072483 JI Annotated Anodyne COc1ccc(C2=NN(C(=O)[C@@H](C)O[N+](=O)[O-])[C@@H](c3c(Cl)cccc3Cl)C2)cc1OC ZINC000043072487 JI Annotated Anodyne CN(C)CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br ZINC000043073170 JI Annotated Anodyne O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1ccc(Br)o1 ZINC000043073560 JI Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(Oc3ccc4ccccc4c3)ccc21 ZINC000043074978 JI Annotated Anodyne CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)cc1Cl ZINC000043075047 JI Annotated Anodyne CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1Cl ZINC000043076249 JI Annotated Anodyne Cc1ccc(-c2nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)n2/N=C/c2ccc(F)cc2)cc1 ZINC000043077524 JI Annotated Mild Cn1c2c(c(=O)[nH]c1=O)[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O ZINC000043078770 JI Annotated Mild Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O ZINC000043078772 JI Annotated Mild C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-c4nc5ccccc5s4)cn1c23 ZINC000043079046 JI Annotated Anodyne COc1ccc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1 ZINC000043080487 JI Annotated Anodyne Cn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3)c21 ZINC000043121661 JI Annotated Anodyne CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3s2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 ZINC000043122488 JI Annotated Bother CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3s2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 ZINC000043122490 JI Annotated Bother COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(C)=O)c(Cl)c2)cc1 ZINC000043151686 JI Annotated Mild CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(CC(=O)O)c4ccc(Cl)cc43)C2)cc1 ZINC000043152715 JI Annotated Anodyne CC(C)(C(=O)c1ccc(Cl)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1)c1ccccc1 ZINC000043152962 JI Annotated Anodyne CCCN1C/C(=C\c2cccc(OC)c2OC)C2=NN(C(C)=O)[C@@H](c3cccc(OC)c3OC)[C@@H]2C1 ZINC000043157541 JI Annotated Anodyne COc1cc(/C=C2\CCCN([C@H](c3cc(F)c(F)c(F)c3)[C@@H](C)O)C2=O)ccc1-n1cnc(C)n1 ZINC000043176520 JI Annotated Anodyne CCCCN(C)c1nc(NCCc2ccccc2OC)nc(NCCc2c[nH]c3ncccc23)n1 ZINC000043193845 JI Annotated Anodyne NS(=O)(=O)Nc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1F ZINC000043195883 JI Annotated Anodyne in-vivo CS(=O)(=O)/N=C(\O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc(F)ccc1F ZINC000043196430 JI Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2nnn3Cc2n[nH]c3nc(N)ccc23)c1 ZINC000043198485 JI Annotated Mild Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCO)c1-c1ccccc1C(F)(F)F ZINC000043200720 JI Annotated Anodyne CCN1CC[C@H](c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)N=C12 ZINC000043203350 JI Annotated Anodyne Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 ZINC000043204131 JI Annotated Anodyne COc1ccc2c(C(=O)N3CCNCC3)c(Oc3c(C)cccc3C)n(-c3ccccc3)c2n1 ZINC000043206830 JI Annotated Anodyne Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(C(N)=O)ccc2n1-c1ccccc1 ZINC000043206834 JI Annotated Anodyne COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCC(C(=O)O)CC3)c12 ZINC000043206860 JI Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl ZINC000043207240 JI Annotated Anodyne C[C@@H]1CC(C)(C)N[C@H](C[C@H](O[P@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 ZINC000043211884 JI Annotated Reactive O=C1C(O)=C(C(C#Cc2ccccc2)C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 ZINC000043274160 JI Annotated Mild CCN(CC)C(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H](OC)O4)cc1 ZINC000043328074 JI Annotated Reactive CCN(CC)C(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@]4(C)OO[C@]23[C@@H](OC)O4)cc1 ZINC000043328075 JI Annotated Reactive CCCCCCCCCCCC(=O)N1C(=O)OC[C@@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000043356547 JI Annotated Mild CCCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@H]12 ZINC000043397070 JI Annotated Anodyne C[C@@]12CC(c3c(F)c(F)c(F)c(F)c3F)=NN1C(N)=N/C2=N\c1ccc(C#N)c(C(F)(F)F)c1 ZINC000043569386 JI Annotated Mild C[C@]12CC(c3c(F)c(F)c(F)c(F)c3F)=NN1C(N)=N/C2=N\c1ccc(C#N)c(C(F)(F)F)c1 ZINC000043569388 JI Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000043617545 JI Annotated Reactive CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C\C(=O)NCCC[C@H]5C=C(C(=O)/C=C/[C@@H]4C[C@H]3[C@H]2C[C@H]1C)C(=O)N5 ZINC000043620335 JI Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4O[C@@H](C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000043649300 JI Annotated Mild C1CCN([P@@]2(N3CC3)=NP(N3CC3)(N3CC3)=N[P@@](N3CCCCC3)(N3CC3)=N2)CC1 ZINC000043663805 JI Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@@H]42)CC1 ZINC000043741923 JI Annotated Anodyne CC(C)OC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@H]12 ZINC000043919891 JI Annotated Anodyne C[C@@H](/C(O)=N/S(=O)(=O)c1ccccc1Cl)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000044069980 JI Annotated Unstable CC(C)[C@H]1N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO1 ZINC000044086806 JI Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000044156896 JI Annotated Reactive CC(C)Cc1ccc([C@H](C)C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000044156898 JI Annotated Reactive O/C(=N\c1nnn[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000044202153 JI Annotated Mild Cn1c(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)ccc1[N+](=O)[O-] ZINC000044247069 JI Annotated Reactive COc1ccc2cc([C@H](C)C(=O)Oc3cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc3[N+](=O)[O-])ccc2c1 ZINC000044247149 JI Annotated Reactive COc1ccc2cc([C@@H](C)C(=O)Oc3cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc3[N+](=O)[O-])ccc2c1 ZINC000044247151 JI Annotated Reactive CC(=O)N1CCC[C@H]2[C@@H](C[C@H]3CC[C@]4(O)[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6N(C)C5)C[C@H]4N3)C[C@H](C)C[C@H]21 ZINC000044352062 JI Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]([C@H](C)CCC[C@H](C)[C@@H]3CC=C(C)[C@H]4CCC(C)=C[C@H]43)OC[C@@H](O2)[C@H]1O ZINC000044361430 JI Annotated Anodyne C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000044361486 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CO[C@H]([C@H](C)CCC[C@H](C)[C@@H]3CC=C(C)[C@H]4CCC(C)=C[C@H]43)O[C@H](O2)[C@H](O)[C@H]1O ZINC000044361596 JI Annotated Anodyne CC(C)[C@@H]1CN(C2=CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]5[C@@H]4CC[C@H]3C2=O)C1=O ZINC000044361625 JI Annotated Mild C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C[C@@](O)(C(Br)Br)CC2 ZINC000044361859 JI Annotated Reactive COC(=O)c1c(O)cc(O)cc1OC1=C(OC)C(=O)C(CC=C(C)C)=C(CC=C(C)C)C1=O ZINC000044386238 JI Annotated Mild in-man endogenous CO[C@@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]321 ZINC000044386906 JI Annotated Mild CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4CC=C5C(=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]132 ZINC000044387120 JI Annotated Mild CO[C@@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4CC=C5C(=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]321 ZINC000044404154 JI Annotated Mild CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000044405643 JI Annotated Anodyne C=C1[C@H]2C[C@H]3OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C ZINC000044430534 JI Annotated Mild CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)[C@H](O)O1 ZINC000044430803 JI Annotated Anodyne CC(=O)O[C@H]1[C@H](O)CO[C@@H](Oc2c(O)c(C)c3c4c2[C@@H](C)CC[C@@H]4[C@@H](C)C[C@@H]3C=C(C)C)[C@@H]1O ZINC000044430861 JI Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(O)c(C)cc3c2[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@H]1O ZINC000044430939 JI Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000044431028 JI Annotated Anodyne CC(=O)O[C@@H]1CO[C@@H](Oc2c(O)c(C)c3c4c2[C@@H](C)CC[C@@H]4[C@@H](C)C[C@@H]3C=C(C)C)[C@H](O)[C@H]1O ZINC000044431210 JI Annotated Anodyne CC(=O)O[C@H]1[C@H](Oc2c(O)c(C)c3c4c2[C@@H](C)CC[C@@H]4[C@@H](C)C[C@@H]3C=C(C)C)OC[C@@H](O)[C@@H]1O ZINC000044431713 JI Annotated Anodyne COc1c2c(cc3occc13)O[C@@]1(C)[C@H]3Oc4cc5oc(C)cc(=O)c5c(OC)c4[C@H]3[C@H]1C2=O ZINC000044681298 JI Annotated Anodyne CC(C)[C@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=S)N1CC[S@@](=O)c1ccccc1 ZINC000004613775 JI Annotated Anodyne CC[S@](=O)c1ncccc1C1(O)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1 ZINC000004628914 JI Annotated Anodyne investigational COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)O ZINC000004662505 JI Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cccc4c3CCCC4)c21 ZINC000004732245 JI Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000004732505 JI Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000004732508 JI Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)c21 ZINC000004758135 JI Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cccc(Cl)c3)c21 ZINC000004758619 JI Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)c21 ZINC000004758803 JI Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccccc3Cl)c21 ZINC000004758999 JI Annotated Anodyne CCOc1ccc(N(CC)S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc1 ZINC000004759104 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N(C)Cc1ccccc1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760001 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N(C)Cc1ccccc1)[C@H](c1cccs1)N(C)C2=O ZINC000004760003 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N(C)Cc1ccccc1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760004 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N(C)Cc1ccccc1)[C@H](c1cccs1)N(C)C2=O ZINC000004760006 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000004760190 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)c1 ZINC000004760191 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000004760193 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)c1 ZINC000004760195 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccccn1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004766856 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccccn1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004766859 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccccn1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004766861 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccccn1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004766864 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004792741 JI Annotated Anodyne CC1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)CC1 ZINC000004793208 JI Annotated Anodyne CC1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)CC1 ZINC000004793211 JI Annotated Anodyne CC1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)CC1 ZINC000004793215 JI Annotated Anodyne CC1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)CC1 ZINC000004793218 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccc(F)cc1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004799103 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccc(F)cc1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004799108 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccc(F)cc1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004799111 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccc(F)cc1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004799115 JI Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000004991250 JI Annotated Mild CC1(C)[C@@H]2CC[C@H](CNc3nc(NCCc4c[nH]cn4)nc(Nc4ccc5c(c4)OCO5)n3)[C@H]1C2 ZINC000045166865 JI Annotated Anodyne Cc1cc(-c2ccc(CNCc3ccsc3)cc2)ccc1S(=O)(=O)NCCN1CCCC1 ZINC000045166950 JI Annotated Anodyne NC(=O)c1cccc(CN2Cc3ccccc3OC3(CCN(Cc4c[nH]c5cnccc45)CC3)C2)c1 ZINC000045167371 JI Annotated Anodyne Cc1cnccc1/C=C/c1cccc(OCCN2CCc3ccc(S(C)(=O)=O)cc3CC2)c1 ZINC000045167412 JI Annotated Anodyne CN1CCN(CCCNCc2ccccc2-c2cccc(CNCc3ccc4c(c3)OCO4)c2)CC1 ZINC000045167427 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(CNCc3ccc(F)cc3)c2)cc1F ZINC000045167805 JI Annotated Anodyne Cc1cc(-c2cccc(CNCc3ccc(F)cc3)c2)ccc1S(=O)(=O)NCCN1CCCC1 ZINC000045168158 JI Annotated Anodyne COc1ccc(CNCCc2cccs2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)cc1 ZINC000045168322 JI Annotated Anodyne O=C1C[C@@H]([S@@](=O)Cc2nccs2)N1CCOCCCCCCc1ccc(Cl)cc1 ZINC000045168332 JI Annotated Anodyne O=C1C[C@@H]([S@](=O)Cc2nccs2)N1CCOCCCCCCc1ccc(Cl)cc1 ZINC000045168336 JI Annotated Anodyne COc1ccc(/C=C/C(=O)N2CCc3cc4nccc(N5CCN6CCC[C@H]6C5)c4cc32)cc1 ZINC000045168724 JI Annotated Anodyne CN1CC[C@](O)(c2ccc(Br)cc2)[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000045169008 JI Annotated Anodyne COc1ccc(C(=O)NCc2ccc(N)nc2C)cc1Nc1ncc(-c2cccc(N(C)C)c2)cn1 ZINC000045187279 JI Annotated Anodyne Cc1cc(C(F)(F)F)n2nc(C(=O)N(Cc3cncn3Cc3ccccc3F)CC3CC3)cc2n1 ZINC000045187356 JI Annotated Anodyne COc1ccc(CNCc2ccsc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)c(C)c1 ZINC000045187487 JI Annotated Anodyne Cn1nccc1C(=O)NCCNCc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 ZINC000045188210 JI Annotated Anodyne c1cc(CN2CCN(CCN3CCOCC3)CC2)cc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045188849 JI Annotated Anodyne CN(C)CCOc1cc(NC(=O)Nc2ccc3c(c2)CCCC3=O)ccc1I ZINC000045189533 JI Annotated Anodyne Cn1nccc1C(=O)NCCNCc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045190109 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(CNCc3ccc(F)cc3)cc2)cc1F ZINC000045190325 JI Annotated Anodyne C[C@H]1CN(c2cccc3c2nc(-c2cncc(C#N)c2)n3CCNCc2ccccc2)C[C@@H](C)O1 ZINC000045190679 JI Annotated Mild C[C@H]1CN(c2cccc3c2nc(-c2cncc(C#N)c2)n3CCNCc2ccccc2)C[C@H](C)O1 ZINC000045190682 JI Annotated Mild C[C@@H]1CN(c2cccc3c2nc(-c2cncc(C#N)c2)n3CCNCc2ccccc2)C[C@@H](C)O1 ZINC000045190684 JI Annotated Mild O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(CNCc3ccc(F)cc3)cc2)s1 ZINC000045190730 JI Annotated Anodyne COc1nc2c(CCN3CCC(NCc4ccc5c(c4)NCCO5)CC3)c(Cl)cnc2cc1F ZINC000045191214 JI Annotated Anodyne COc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCS5)CC3)c2c1 ZINC000045191705 JI Annotated Anodyne Cc1noc(-c2ccccc2)c1CN1CCC[C@]2(CC(C(=O)NCc3cccc(F)c3F)=NO2)C1 ZINC000045192425 JI Annotated Anodyne Cc1noc(-c2ccccc2)c1CN1CCC[C@@]2(CC(C(=O)NCc3cccc(F)c3F)=NO2)C1 ZINC000045192428 JI Annotated Anodyne Cc1ccc2c(c1)NC[C@@]21CCN(C[C@@H](O)C2CCN(c3ccnc(Cl)c3)CC2)C[C@@H]1C ZINC000045193029 JI Annotated Anodyne Cc1ccc2c(c1)NC[C@]21CCN(C[C@@H](O)C2CCN(c3ccnc(Cl)c3)CC2)C[C@@H]1C ZINC000045193032 JI Annotated Anodyne CCOC(=O)c1cc2c(CCN3C(=O)c4ccccc4C3=O)cn(C)c2cc1-c1ccncc1 ZINC000045193192 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(CNCc3ccc(F)cc3)c2)s1 ZINC000045193644 JI Annotated Anodyne O=C(NCCc1cccc(F)c1)c1cc(Br)cc(N2CCN(c3ccncc3)CC2)c1 ZINC000045193966 JI Annotated Anodyne CN1CCC(NCc2ccc(-c3ccc(S(=O)(=O)NCc4ccccc4)s3)cc2)CC1 ZINC000045194445 JI Annotated Anodyne COc1ccc(CNCc2ccsc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1 ZINC000045194878 JI Annotated Anodyne Cc1cc(C(F)(F)F)n2nc(C(=O)N(Cc3cncn3Cc3cccc(F)c3)CC3CC3)cc2n1 ZINC000045196029 JI Annotated Anodyne COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3C#N)c(=S)n2C[C@@H]2CCCO2)c1 ZINC000045201018 JI Annotated Mild COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3C#N)c(=S)n2C[C@H]2CCCO2)c1 ZINC000045201020 JI Annotated Mild COc1ccc(CNCc2ccccc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1 ZINC000045201065 JI Annotated Anodyne Cc1c(Oc2ccc(-n3ccnc3)cc2)ncnc1N1CCC2(CC1)CNCc1ccccc12 ZINC000045201386 JI Annotated Anodyne Cc1cccc2[nH]c(-c3cccc(-c4ccc(CNCCNC(=O)c5ccnn5C)cc4)c3)nc12 ZINC000045201903 JI Annotated Anodyne COc1cccc(-c2nc3c(N4CCN(c5ccncc5)CC4)cccc3n2C[C@@H]2CCCCCN2)n1 ZINC000045202241 JI Annotated Anodyne COc1cccc(-c2nc3c(N4CCN(c5ccncc5)CC4)cccc3n2C[C@H]2CCCCCN2)n1 ZINC000045202243 JI Annotated Anodyne Cn1nccc1C(=O)NCCNCc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 ZINC000045202665 JI Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCCCNS(C)(=O)=O)cc4)s3)nc12 ZINC000045202927 JI Annotated Anodyne COc1ccc(-c2ccc(CNCc3ccc(F)cc3)cc2)cc1S(=O)(=O)NCCN1CCCC1 ZINC000045209868 JI Annotated Anodyne Cn1nc(-c2cccc(CN[C@@H]3CCc4ccc(O)cc43)c2)c2cnc(NCCCN3CCCC3)nc21 ZINC000045210119 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(CNCCc3cccs3)c2)s1 ZINC000045210640 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(CNCc3ccsc3)cc2)s1 ZINC000045227369 JI Annotated Anodyne Cc1cc(-c2cccc(CNC3CCN(C)CC3)c2)ccc1S(=O)(=O)NCc1ccccc1 ZINC000045227941 JI Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(F)cc3)N=C(N)N(CCCc3ccc(F)c(F)c3)C2=O)cc1 ZINC000045227944 JI Annotated Anodyne COc1ccc(C[C@]2(c3ccc(F)cc3)N=C(N)N(CCCc3ccc(F)c(F)c3)C2=O)cc1 ZINC000045227948 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1cccc(-c2cccc(CNCc3ccsc3)c2)c1 ZINC000045228172 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(CNCc3ccsc3)cc2)cc1F ZINC000045228462 JI Annotated Anodyne COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2ccccc2)s1 ZINC000045228585 JI Annotated Anodyne Cc1cc(-c2cccc(CNCc3ccccc3)c2)ccc1S(=O)(=O)NCCN1CCCC1 ZINC000045228791 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1cccc(-c2cccc(CNCCc3cccs3)c2)c1 ZINC000045229225 JI Annotated Anodyne Cc1cccc2[nH]c(-c3cccc(-c4cccc(CNCCNC(=O)c5ccnn5C)c4)c3)nc12 ZINC000045229797 JI Annotated Anodyne COc1ccc(CNCc2ccccc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)c(F)c1 ZINC000045230064 JI Annotated Anodyne CCO/C(O)=N/C1=NC(=N)N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C(C)(C)N1 ZINC000045230217 JI Annotated Mild Cc1cc(-c2ccc(CNC3CCN(C)CC3)cc2)ccc1S(=O)(=O)NCc1ccccc1 ZINC000045230422 JI Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(F)cc1 ZINC000045245046 JI Annotated Mild Cc1cc(C)cc(Oc2c(CN3CCC[C@H](C#N)C3)c(C)[nH]c(=O)c2I)c1 ZINC000045245108 JI Annotated Mild Cc1cc(C)cc(Oc2c(CN3CCC[C@@H](C#N)C3)c(C)[nH]c(=O)c2I)c1 ZINC000045245109 JI Annotated Mild Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ncc[nH]5)CC4)cc3)nc(N(C)C)nc2c1 ZINC000045245795 JI Annotated Anodyne Cc1cc(C)cc(Oc2c(CN3CCSCC3)c(C)[nH]c(=O)c2I)c1 ZINC000045245977 JI Annotated Anodyne N=c1oc2ccccc2cc1C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000045253228 JI Annotated Anodyne N=c1oc2ccccc2cc1C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000045253229 JI Annotated Anodyne Cc1cc(C)cc(Oc2c(COC[C@@H]3CCCO3)c(C)[nH]c(=O)c2I)c1 ZINC000045253342 JI Annotated Anodyne Cc1cc(C)cc(Oc2c(COC[C@H]3CCCO3)c(C)[nH]c(=O)c2I)c1 ZINC000045253344 JI Annotated Anodyne CN(Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045253510 JI Annotated Anodyne CN(Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045253512 JI Annotated Anodyne O=C(NCCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000045254792 JI Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3F)cc1)C2 ZINC000045254807 JI Annotated Bother CC(C)[C@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 ZINC000045255097 JI Annotated Anodyne CC(C)[C@@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 ZINC000045255099 JI Annotated Anodyne Cc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N3CCNCC3)nc2c1 ZINC000045258594 JI Annotated Anodyne COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1N1C[C@H](C)O[C@H](C)C1 ZINC000045259700 JI Annotated Anodyne COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1N1C[C@H](C)O[C@@H](C)C1 ZINC000045259703 JI Annotated Anodyne COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1N1C[C@@H](C)O[C@H](C)C1 ZINC000045259706 JI Annotated Anodyne COc1cc(N2C(N)=C(C#N)[C@@H](c3ccccc3O)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045260654 JI Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3ccccc3O)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045260656 JI Annotated Reactive CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cccc(C)n3)cn2)o1)C1CCCCC1 ZINC000045261767 JI Annotated Anodyne CSc1nn(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2nc(C)c(C#N)c(N)c12 ZINC000045261811 JI Annotated Mild CNC(=O)CSCc1c(C)[nH]c(=O)c(I)c1Sc1cc(C)cc(C)c1 ZINC000045261866 JI Annotated Anodyne N=C(NCCCCCCCCN1CCCCCCCCN/C(N)=N/C1=O)NCc1ccccc1 ZINC000045261868 JI Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3cnc(C)n3)c(C)[nH]c(=O)c2I)c1 ZINC000045283417 JI Annotated Anodyne Cc1cc(C)cc(Sc2c(CN(C)CCC#N)c(C)[nH]c(=O)c2I)c1 ZINC000045283468 JI Annotated Mild Cc1cc(C)cc(Sc2c(Cn3nc(C)nc3C)c(C)[nH]c(=O)c2I)c1 ZINC000045284369 JI Annotated Anodyne CN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000045284950 JI Annotated Clean COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1N1CCC(CCCO)CC1 ZINC000045285725 JI Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3ncnc3C)c(C)[nH]c(=O)c2I)c1 ZINC000045285855 JI Annotated Anodyne CSCC[C@H](NCCc1nc(C(=O)O)cc2c3ccccc3n(Cc3ccccc3)c12)C(=O)O ZINC000045286691 JI Annotated Anodyne CCOC(=O)c1cnn(-c2nc(-c3ccccc3)nc3c2[C@H]2CCCN2C(=O)N3c2ccccc2)c1N ZINC000045286860 JI Annotated Anodyne CCOC(=O)c1cnn(-c2nc(-c3ccccc3)nc3c2[C@@H]2CCCN2C(=O)N3c2ccccc2)c1N ZINC000045286862 JI Annotated Anodyne CC(C)c1ccc(COc2cc(NC(=O)Cc3cccnc3)ccc2N(C)S(C)(=O)=O)cc1 ZINC000045287056 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)cc1)C2 ZINC000045287177 JI Annotated Bother CCN(CC)CCC(=O)NCc1cccc2cc3cccc(CNC(=O)CCN(CC)CC)c3nc12 ZINC000045287588 JI Annotated Bother O=C1CS[C@H](c2c[nH]c3ccccc23)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000045288169 JI Annotated Anodyne O=C1CS[C@@H](c2c[nH]c3ccccc23)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000045288171 JI Annotated Anodyne CC(C)c1ccc(COc2cc(NC(=O)Cc3ccccn3)ccc2N(C)S(C)(=O)=O)cc1 ZINC000045288250 JI Annotated Anodyne Cc1cc(C)c(COc2cc(NC(=O)Cc3ccccn3)ccc2N(C)S(C)(=O)=O)c(C)c1 ZINC000045288619 JI Annotated Anodyne CCCNCC1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCC)OCO3 ZINC000045288802 JI Annotated Anodyne CCCOc1c(C(=O)N/N=C(\C)c2ccc[nH]2)sc(C(=O)N/N=C(\C)c2ccc[nH]2)c1OCCC ZINC000045289354 JI Annotated Reactive N#CC(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1SCCCS1 ZINC000045289689 JI Annotated Reactive N#CC(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1SCCCS1 ZINC000045289692 JI Annotated Reactive N#CC(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1SCCCS1 ZINC000045289695 JI Annotated Reactive N#CC(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1SCCCS1 ZINC000045289697 JI Annotated Reactive Cc1cc(C)cc(Sc2c(Cn3cnc(C)c3C#N)c(C)[nH]c(=O)c2I)c1 ZINC000045290017 JI Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000045290287 JI Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccc(N/C=N/c3nc4c(c(C)c3C#N)C(=O)CC(C)(C)C4)cc2)no1 ZINC000045291223 JI Annotated Mild Cc1cc(C)c(COc2cc(NC(=O)Cc3cccnc3)ccc2N(C)S(C)(=O)=O)c(C)c1 ZINC000045291374 JI Annotated Anodyne COc1ccc(C(=O)NCC2=C[C@@H]3Oc4ccccc4C(=O)C3=CN2c2ncccc2C)cc1 ZINC000045298589 JI Annotated Mild COc1ccc(-c2c(Cl)sc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000045299399 JI Annotated Bother Cc1cc(C)cc(Oc2c(CN3CCSC3)c(C)[nH]c(=O)c2I)c1 ZINC000045299403 JI Annotated Anodyne COc1ccc(NC(=O)c2cn(C(=O)/C=C/C(=O)OC(C)(C)C)c3ccccc23)c(OC)c1 ZINC000045299818 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(CNCc3ccsc3)cc2)cc1 ZINC000045301359 JI Annotated Anodyne CN1CCC(NCCS(=O)(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000045301733 JI Annotated Anodyne CCNC(=O)N1CCN(CCN(C/C=C/c2ccccc2OC)C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000045301862 JI Annotated Anodyne CCNC(=O)N1CCN(CCN(C/C=C/c2ccccc2OC)C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC000045301864 JI Annotated Anodyne O=C(COc1ccccc1Cl)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000045302071 JI Annotated Anodyne CCNC(=O)N1CCc2ccc(Oc3nc(NCc4ccccc4OC)ncc3C)cc2CC1 ZINC000045302171 JI Annotated Anodyne Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCCc2cccnc2)n1 ZINC000045302463 JI Annotated Anodyne CO[C@H]1CCCN(Cc2c(C)[nH]c(=O)c(I)c2Oc2cc(C)cc(C)c2)C1 ZINC000045302536 JI Annotated Anodyne CO[C@@H]1CCCN(Cc2c(C)[nH]c(=O)c(I)c2Oc2cc(C)cc(C)c2)C1 ZINC000045302537 JI Annotated Anodyne Cc1ccc(F)cc1-c1cc(N2CCCN(C(=O)c3ccc(Br)o3)CC2)ncn1 ZINC000045303007 JI Annotated Anodyne N#Cc1ccnc(-c2ccc(CNC3CCN(C[C@@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)cc2)c1 ZINC000045303009 JI Annotated Mild N#Cc1ccnc(-c2ccc(CNC3CCN(C[C@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)cc2)c1 ZINC000045303010 JI Annotated Mild O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(CNCc3ccccc3)c2)s1 ZINC000045303026 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(CNCc3ccsc3)c2)s1 ZINC000045303027 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1cccc(-c2ccc(CNCc3ccsc3)cc2)c1 ZINC000045303043 JI Annotated Anodyne COc1ccc2nccc(NC(=O)OC3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1 ZINC000045303107 JI Annotated Anodyne Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCCCOC(C)C)n1 ZINC000045303285 JI Annotated Anodyne Cc1cc(C)cc(Sc2c(CN3CCC(O)CC3)c(C)[nH]c(=O)c2I)c1 ZINC000045315562 JI Annotated Anodyne O=C1COC2(CN1[C@@H]1CCN(Cc3ccc(O)cc3Cl)C1)c1ccccc1-c1ccccc12 ZINC000045316343 JI Annotated Anodyne O=C1COC2(CN1[C@H]1CCN(Cc3ccc(O)cc3Cl)C1)c1ccccc1-c1ccccc12 ZINC000045316347 JI Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3ccnc3C#N)c(C)[nH]c(=O)c2I)c1 ZINC000045317526 JI Annotated Mild Cc1cccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)c1C ZINC000045317786 JI Annotated Anodyne CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N1C(=O)CCc1ccccc1 ZINC000045318736 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc1)C2 ZINC000045319176 JI Annotated Bother COC1CN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)C1 ZINC000045320123 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1cc(Br)cc(Br)c1O ZINC000045321153 JI Annotated Clean CC(C)(C)OC(=O)N1[C@H](c2cc(Br)cc(Br)c2O)SC[C@H]1C(=O)O ZINC000045321157 JI Annotated Clean Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCCCNS(C)(=O)=O)c4)s3)nc12 ZINC000045322175 JI Annotated Anodyne CN1CCC(NCc2ccc(-c3ccc(S(=O)(=O)NCc4ccccc4)c(F)c3)cc2)CC1 ZINC000045322352 JI Annotated Anodyne COc1ccc(-c2ccc(CNCc3ccsc3)cc2)cc1S(=O)(=O)NCCN1CCCC1 ZINC000045323205 JI Annotated Anodyne O=C1COC2(CN1[C@@H]1CCN(Cc3ccc(O)c(Cl)c3)C1)c1ccccc1-c1ccccc12 ZINC000045323812 JI Annotated Anodyne O=C1COC2(CN1[C@H]1CCN(Cc3ccc(O)c(Cl)c3)C1)c1ccccc1-c1ccccc12 ZINC000045323815 JI Annotated Anodyne O=C(c1csc(-c2cccnc2)n1)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000045324407 JI Annotated Anodyne O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(CNCc3ccccc3)cc2)s1 ZINC000045325196 JI Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2c1 ZINC000045334329 JI Annotated Anodyne COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)c(Cl)sc2=O)cc1[N+](=O)[O-] ZINC000045334417 JI Annotated Bother Cc1cc(-c2ccc(CNCc3ccc(F)cc3)cc2)ccc1S(=O)(=O)NCCN1CCCC1 ZINC000045334635 JI Annotated Anodyne CCCNc1ccc2nccc(CCN3CCC(NCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1 ZINC000045334674 JI Annotated Anodyne COc1ccc(CNCCc2cccs2)cc1-c1cccc(S(=O)(=O)NCCN2CCCC2)c1 ZINC000045334706 JI Annotated Anodyne Cc1cc(S(=O)(=O)/N=C(\O)Nc2ncc(Br)s2)sc1-c1ccc(F)nc1 ZINC000045336340 JI Annotated Mild O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(CNCCc3cccs3)c2)cc1 ZINC000045336525 JI Annotated Anodyne COc1ccc(-c2sc(S(=O)(=O)/N=C(\O)Nc3ncc(Br)s3)cc2C)cn1 ZINC000045336605 JI Annotated Mild O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(CNCc3ccccc3)cc2)cc1F ZINC000045336801 JI Annotated Anodyne O=C(NCC(F)(F)F)[C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C[C@@H]1O2 ZINC000045338433 JI Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3coc4cc(OC(C)=O)cc(O)c4c3=O)ccc2OC)c1 ZINC000045338911 JI Annotated Anodyne O=C1O[C@@H](COc2ccc(I)cc2)C=C1c1ccc(Br)cc1 ZINC000045339569 JI Annotated Anodyne O=C1O[C@H](COc2ccc(I)cc2)C=C1c1ccc(Br)cc1 ZINC000045339571 JI Annotated Anodyne C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N(C)C ZINC000045340277 JI Annotated Anodyne Cc1nc2c(I)c(Cl)c(Cl)c(I)c2[nH]1 ZINC000045347709 JI Annotated Anodyne Cc1ccc2nc(/N=C3\C(=O)N(CN4CCOCC4)c4cccc(Br)c43)sc2c1 ZINC000045349893 JI Annotated Mild O=C(NCCCCCC/N=C/c1cc(I)ccc1O)c1ccccc1O ZINC000045352395 JI Annotated Mild N#Cc1cc2c(c3c(-c4cc5c(cc4Br)OCO5)c4c(cc13)C(=O)OC4)OCO2 ZINC000045356969 JI Annotated Mild COc1cccc([C@]2(O)c3ccc(C(=O)N4CCN(C)CC4)cc3Oc3ccc(Cl)cc32)c1 ZINC000045366507 JI Annotated Anodyne COc1cccc([C@@]2(O)c3ccc(C(=O)N4CCN(C)CC4)cc3Oc3ccc(Cl)cc32)c1 ZINC000045366510 JI Annotated Anodyne O=c1[nH]c2cccc(Oc3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2[nH]1 ZINC000045366576 JI Annotated Anodyne O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCCN2)CC1 ZINC000045370672 JI Annotated Anodyne O=C([C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C[C@@H]1O2)N1CCSCC1 ZINC000045371156 JI Annotated Anodyne FC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(-n5cnnn5)c4)nn23)cc1OCC1CC1 ZINC000045372808 JI Annotated Anodyne Cc1ccc(CNC(=O)/C=C\C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000045373629 JI Annotated Anodyne COC1(c2ccc(NC(=O)[C@@H]3CCc4cc(F)cc(-c5c(C)nn(C)c5C)c4O3)cn2)CCOCC1 ZINC000045373901 JI Annotated Anodyne COC1(c2ccc(NC(=O)[C@H]3CCc4cc(F)cc(-c5c(C)nn(C)c5C)c4O3)cn2)CCOCC1 ZINC000045373903 JI Annotated Anodyne O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCN2)CC1 ZINC000045385497 JI Annotated Anodyne CO/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)N/C=C/c1ccc(O)cc1 ZINC000045386060 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(OCCN(C)C)cc2)cc1 ZINC000045386190 JI Annotated Anodyne O=C(Nc1ccc(Cl)cc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(Cl)cc3)CO[C@H]12 ZINC000045387350 JI Annotated Anodyne O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)Cc4cccc(OC(F)(F)F)c4)c3)c2[nH]1 ZINC000045388017 JI Annotated Anodyne O=C1C(=O)N(CN2CCN(c3ccnc4cc(C(F)(F)F)ccc34)CC2)c2cccc(Cl)c21 ZINC000045388673 JI Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(OC(F)F)c(OC(F)F)cc32)c1 ZINC000045484910 JI Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(OC(F)F)c(OC(F)F)cc32)c1 ZINC000045484912 JI Annotated Anodyne COc1cc([C@H]2C3=C(CN(C(=O)OC(C)(C)C)C3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000045494971 JI Annotated Anodyne COc1cc([C@@H]2C3=C(CN(C(=O)OC(C)(C)C)C3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000045494973 JI Annotated Anodyne CCOC(=O)c1cc2c(CN(C)C)c(O)c(OC)cc2nc1CSc1ccccc1OC ZINC000045496134 JI Annotated Clean CCCCS(=O)(=O)N[C@H]1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000045496481 JI Annotated Anodyne CCCCS(=O)(=O)N[C@H]1C/C=C/[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000045496482 JI Annotated Anodyne O=P(O)(O)C(O)(CCCCn1c2c(c3ccccc31)CCSc1ccccc1-2)P(=O)(O)O ZINC000045496542 JI Annotated Anodyne Cc1cc(I)ccc1Nc1c(-c2nnc(NCCO)o2)ccc(F)c1F ZINC000045497328 JI Annotated Anodyne CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 ZINC000046124081 JI Annotated Anodyne Cn1ncc2cc(-c3ccc(C4=NC(C)(C)C(=O)N4C[C@@H]4CCN(C(=O)C5CC5)C4)c(F)c3)ccc21 ZINC000473082459 JI Annotated Anodyne COc1ccc(-c2nc3sc(C)nn3c2COCc2cn(Cc3ccccc3F)nn2)cc1 ZINC000473083281 JI Annotated Anodyne CC1(C)N=C(c2ccc(-c3ccc4[nH]ccc4c3)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O ZINC000473085886 JI Annotated Anodyne CSc1cccc(N=c2[nH]c([C@@H]3C=N[C@@H](CS(=O)(=O)c4ccccn4)S3)cs2)c1 ZINC000473087011 JI Annotated Anodyne CSc1cccc(N=c2[nH]c([C@H]3C=N[C@@H](CS(=O)(=O)c4ccccn4)S3)cs2)c1 ZINC000473087013 JI Annotated Anodyne CSc1cccc(N=c2[nH]c([C@@H]3C=N[C@H](CS(=O)(=O)c4ccccn4)S3)cs2)c1 ZINC000473087016 JI Annotated Anodyne CSc1cccc(N=c2[nH]c([C@H]3C=N[C@H](CS(=O)(=O)c4ccccn4)S3)cs2)c1 ZINC000473087020 JI Annotated Anodyne O=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1cccc(Br)c1 ZINC000473087436 JI Annotated Anodyne O=C(CCCCBr)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F ZINC000473088708 JI Annotated Reactive O=C(CCCCBr)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F ZINC000473088711 JI Annotated Reactive O=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1ccccc1Br ZINC000473089080 JI Annotated Anodyne O=C(Cc1cccc(Cl)c1)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F ZINC000473089182 JI Annotated Anodyne O=C(Cc1cccc(Cl)c1)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F ZINC000473089192 JI Annotated Anodyne C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N1CCCCC1 ZINC000473089561 JI Annotated Mild O=C(O)CN(Cc1ccc(/C=C/Cc2ccccc2)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473089636 JI Annotated Anodyne CSc1cccc(N=c2[nH]c(-c3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)cs2)c1 ZINC000473089713 JI Annotated Anodyne COc1ccc(C(=O)N[C@@H]2c3cc(/N=C(\C)N(C)Cc4ccc(F)cc4)ccc3C[C@H]2O)cc1 ZINC000473090473 JI Annotated Mild Cc1ccn2c(CN3CCN(Cc4c(C(C)(C)C)nc5nc(C)ccn45)CC3)c(C(C)(C)C)nc2n1 ZINC000473090583 JI Annotated Anodyne Cc1cc2c(-c3cncc(N)c3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2nc1O ZINC000473092827 JI Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000473094044 JI Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000473094045 JI Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000473094046 JI Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000473094047 JI Annotated Anodyne CCN(Cc1cccc(C#N)c1)c1ccc2c(c1)CN1C(=O)CN(C3CCCCC3)C(=O)[C@H]1C2 ZINC000473096422 JI Annotated Mild O=C(NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O ZINC000473096921 JI Annotated Bother O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O ZINC000473096925 JI Annotated Bother Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccccc3)N2)cc1 ZINC000473097069 JI Annotated Anodyne Cc1nc2cc(Br)ccc2[nH]c1=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000473104985 JI Annotated Anodyne O=C(NC[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O ZINC000473105426 JI Annotated Bother O=C(NC[C@H]1CCCN(c2nc3ccccc3s2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O ZINC000473105427 JI Annotated Bother CCC[C@]1(C(=O)OCC)C(=O)Nc2cc(NC(C)=O)c(N3CCN(c4cccc(C)c4C)CC3)cc21 ZINC000473105915 JI Annotated Anodyne CCC[C@@]1(C(=O)OCC)C(=O)Nc2cc(NC(C)=O)c(N3CCN(c4cccc(C)c4C)CC3)cc21 ZINC000473105916 JI Annotated Anodyne CNC(=O)Cn1cc(-c2c[nH]c(=N)c3c(-c4ccc(C(=O)Nc5ccccc5)cc4)csc23)cn1 ZINC000473107468 JI Annotated Anodyne O=C1Nc2ccccc2[C@@]12N1CCC[C@@H]1[C@@H](c1cccc(Cl)c1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473108578 JI Annotated Anodyne COc1ccc2c3c(n(C(=O)OC(C)(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1C3 ZINC000473110096 JI Annotated Anodyne CN(C)C(=O)Cc1nn(-c2ccc(OCCCCF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C ZINC000473111219 JI Annotated Clean CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)c2ccc(-c3cccc([C@H](O)CO)n3)cc2C1 ZINC000473112965 JI Annotated Anodyne CN(C)C(=O)Cc1nn(-c2ccc(OC/C=C/CF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C ZINC000473113703 JI Annotated Clean N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2ccc(Br)cc2C(F)(F)F)[nH]1 ZINC000473113993 JI Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@](C)(O)[C@](C)(/C=C/C2=CC(=O)OC2)[C@H]2CCC=C(C)[C@@]21C ZINC000473114019 JI Annotated Anodyne CC1(C)N=C(c2ccc(-c3c[nH]c4ccccc34)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O ZINC000473114060 JI Annotated Anodyne N#CCN1CCN(c2ccc(C(F)(F)F)cc2)c2ccc(-c3cccc([C@H](O)CO)n3)cc2C1 ZINC000473114061 JI Annotated Mild COc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3ccc(C)cc23)n1 ZINC000473114076 JI Annotated Anodyne C/C1=C\CC(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC1)[C@@H](C)C(=O)S[S@@]2=O ZINC000473114958 JI Annotated Reactive C/C1=C\CC(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC1)[C@@H](C)C(=O)S[S@]2=O ZINC000473114959 JI Annotated Reactive COc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3c(C)cccc23)n1 ZINC000473114990 JI Annotated Anodyne COc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3cc(C)cc(C)c23)n1 ZINC000473117317 JI Annotated Anodyne CC[C@H](C)[C@@H](CN1CCC(C)(c2cccc(F)c2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000473117542 JI Annotated Anodyne CC[C@@H](C)[C@@H](CN1CCC(C)(c2cccc(F)c2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000473117548 JI Annotated Anodyne CN(C)CCOc1cc2ccc(OC3=CC(=O)c4cc5ccccc5cc4C3=O)cc2oc1=O ZINC000473119242 JI Annotated Mild CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)c2ccc(-c3cccc(C(N)=O)n3)cc2C1 ZINC000473120663 JI Annotated Anodyne CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(OC(C)C)cc4)c3cc21 ZINC000473122123 JI Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)[C@@H]1C ZINC000473124729 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1c(F)cc(-c3ccc(C(F)(F)F)nc3)cc1F)C2 ZINC000473127321 JI Annotated Bother Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cn2)cn1 ZINC000473127436 JI Annotated Anodyne Cc1cn(-c2ccc(-c3cn([C@@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cn2)cn1 ZINC000473128446 JI Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@@](C)(CO[C@@H]4O[C@@H](COC(C)=O)[C@H](O)[C@H]4O)CCC[C@]23C)C1 ZINC000473129473 JI Annotated Mild O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]c(-c4ccccc4)c3c2)c1F)c1cccnc1 ZINC000473130580 JI Annotated Mild CCCCn1cc(C(=O)O)c(=O)c2ccc(N=c3ccnc(Nc4ccc(C#N)cc4)[nH]3)cc21 ZINC000473131287 JI Annotated Mild COc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000473133161 JI Annotated Bother N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000473133383 JI Annotated Mild CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(C(F)(F)F)cc3)=NC2=N1 ZINC000473133962 JI Annotated Clean CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(C(F)(F)F)cc3)=NC2=N1 ZINC000473133964 JI Annotated Clean CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(Cc1ccccc1)CC2 ZINC000473134812 JI Annotated Anodyne Cc1cn([C@H]2C[C@H](n3nncc3-c3ccccc3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473135173 JI Annotated Reactive C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)O)C[C@@]4(C(=O)O[C@@H]5C[C@@H]6[C@@H](CC[C@H](C)O)[C@@H]6C[C@@H]54)[C@@H]3C[C@H]12 ZINC000473135294 JI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)O)C[C@@]4(C(=O)O[C@@H]5C[C@@H]6[C@@H](CC[C@H](C)O)[C@@H]6C[C@@H]54)[C@@H]3C[C@H]12 ZINC000473135295 JI Annotated Mild NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135475 JI Annotated Anodyne NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O ZINC000473136647 JI Annotated Anodyne COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccc(Cl)cc3)CCO4)CC2)ccn1 ZINC000473137244 JI Annotated Anodyne Cc1cn([C@H]2C[C@H](n3nncc3C3CCCCC3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473137679 JI Annotated Reactive O=C(N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1cccc(Cl)c1)c1ccco1 ZINC000473144958 JI Annotated Reactive O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CC[C@@H](F)C1)CC2 ZINC000473145411 JI Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000473145748 JI Annotated Anodyne CC1=CC(=O)C[C@]2(C)[C@@H]3[C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@@]3(C)CC[C@@H]12 ZINC000473146757 JI Annotated Mild CCCCCCOc1cc(COc2c(Cl)cc(CN=c3nn[nH][nH]3)cc2OC)ccc1[N+](=O)[O-] ZINC000473149135 JI Annotated Bother CCOC(=O)c1c[nH]c2ccccc2c1=Nc1ccc(NCCCN2CCN(CC)CC2)cc1 ZINC000473149612 JI Annotated Anodyne CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@H]21 ZINC000473150320 JI Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000473151834 JI Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000473151835 JI Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cc23)cc1 ZINC000473153544 JI Annotated Anodyne CCOc1ccccc1NC(=O)c1c(NCCO)cc(-c2cccc(Br)c2)oc1=O ZINC000473154338 JI Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1c(NCCO)cc(-c2ccc(Br)cc2)oc1=O ZINC000473154422 JI Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2CCCCN2c2ccccc2)cc1Cl ZINC000473154454 JI Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@H]2CCCCN2c2ccccc2)cc1Cl ZINC000473154455 JI Annotated Anodyne C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c([C@H](CO)CC2COC2)cc1F ZINC000473154558 JI Annotated Anodyne C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c([C@@H](CO)CC2COC2)cc1F ZINC000473154559 JI Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cn23)cc1 ZINC000473154609 JI Annotated Anodyne CC(C)COc1ncc(-c2nn(C)c3cc4c(NS(=O)(=O)C5CC5)noc4cc23)cc1Cl ZINC000473154738 JI Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1cccc(COc2ccccc2)c1 ZINC000473154787 JI Annotated Anodyne Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2/C=N/NC(=O)c2ccco2)cc1 ZINC000473154806 JI Annotated Reactive CC(=O)N1C(=O)[C@]2(Sc3ncccc3C(=O)N2c2ccccc2)c2cc(Br)ccc21 ZINC000473154820 JI Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2CCCN2c2ccc(C)cc2)cc1Cl ZINC000473155123 JI Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@H]2[C@H]3CC[C@H](C3)N2c2ccccc2)cc1Cl ZINC000473155191 JI Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2c2ccccc2)cc1Cl ZINC000473155192 JI Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1c(NCCO)cc(-c2cccc(Br)c2)oc1=O ZINC000473155990 JI Annotated Anodyne CCOc1ccccc1NC(=O)c1c(NCCO)cc(-c2ccc(Br)cc2)oc1=O ZINC000473157132 JI Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl ZINC000473158360 JI Annotated Anodyne COc1ccc(COc2ccc([C@H](C)n3c(=N)[nH]c4cc(-c5cnn(C)c5)ccc43)cc2OC)cn1 ZINC000473159046 JI Annotated Anodyne COc1ccc(COc2ccc([C@@H](C)n3c(=N)[nH]c4cc(-c5cnn(C)c5)ccc43)cc2OC)cn1 ZINC000473159047 JI Annotated Anodyne COc1cc(Cn2cnc3cc(C#CCCO)cnc32)ccc1OCc1ccc(C(F)F)nc1 ZINC000473159111 JI Annotated Mild COc1ccc([C@H](C)Oc2ccc(Cn3cnc4cc(-c5ccnn5C)cnc43)cc2OC)cn1 ZINC000473159151 JI Annotated Anodyne COc1ccc([C@@H](C)Oc2ccc(Cn3cnc4cc(-c5ccnn5C)cnc43)cc2OC)cn1 ZINC000473159153 JI Annotated Anodyne COc1cc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(C)C)nc1 ZINC000473159201 JI Annotated Anodyne COc1ccc([C@H](C)Oc2ccc(Cn3cnc4cc(-c5cnn(C)c5)cnc43)cc2OC)cn1 ZINC000473159202 JI Annotated Anodyne COc1ccc([C@@H](C)Oc2ccc(Cn3cnc4cc(-c5cnn(C)c5)cnc43)cc2OC)cn1 ZINC000473159203 JI Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(C(=O)CO)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 ZINC000473164959 JI Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1cc(O)cc(C(=O)O)c1 ZINC000473165275 JI Annotated Anodyne O=C(N/N=C\c1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000473165435 JI Annotated Reactive COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccccc2F)S3)cc(OC)c1OC ZINC000473167188 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccccc2F)S3)cc(OC)c1OC ZINC000473167191 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccccc2F)S3)cc(OC)c1OC ZINC000473167193 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccccc2F)S3)cc(OC)c1OC ZINC000473167197 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2cccs2)S3)cc(OC)c1OC ZINC000473169293 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2cccs2)S3)cc(OC)c1OC ZINC000473169294 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2cccs2)S3)cc(OC)c1OC ZINC000473169295 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2cccs2)S3)cc(OC)c1OC ZINC000473169297 JI Annotated Anodyne CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(-c2ccccc2)o1 ZINC000473169993 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccccc2)S3)cc(OC)c1OC ZINC000473170110 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccccc2)S3)cc(OC)c1OC ZINC000473170112 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccccc2)S3)cc(OC)c1OC ZINC000473170114 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccccc2)S3)cc(OC)c1OC ZINC000473170116 JI Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(C(F)(F)F)cn2)C3)n1 ZINC000473171500 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473172517 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473172520 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473172524 JI Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473172528 JI Annotated Anodyne Cc1nccn1Cc1ccc(C(=O)Nc2sc(=Nc3ccc4ccccc4c3)[nH]c2C(N)=O)cc1 ZINC000473179060 JI Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000473179066 JI Annotated Anodyne Cc1cn(Cc2ccc(C(=O)Nc3sc(=Nc4ccc5ccccc5c4)[nH]c3C(N)=O)cc2)cn1 ZINC000473179086 JI Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1csc(Cn2ccnc2)c1 ZINC000473179087 JI Annotated Anodyne NC(=O)c1nc(Nc2ccc3ncccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000473179093 JI Annotated Anodyne Cc1nnc(Cc2ccc(C(=O)Nc3sc(=Nc4ccc5ccccc5c4)[nH]c3C(N)=O)cc2)o1 ZINC000473179106 JI Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)s1 ZINC000473179118 JI Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1 ZINC000473179396 JI Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179569 JI Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@H](C)N)CC1 ZINC000473183175 JI Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cnc(C#N)nc4)cc23)CC1 ZINC000473210101 JI Annotated Mild CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(OCCN(C)C)nc1 ZINC000473213521 JI Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(F)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473213525 JI Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(N)CC5)ccc43)cc2OC)cn1 ZINC000473215229 JI Annotated Anodyne COc1cc(-c2ccc3[nH]cc([S@](C)=O)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)cc(Cl)c1O ZINC000473215266 JI Annotated Anodyne COc1cc(-c2ccc3[nH]cc([S@@](C)=O)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)cc(Cl)c1O ZINC000473215273 JI Annotated Anodyne CC[C@@H](Oc1ccc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)cc1OC)c1ccc(OC)nc1 ZINC000473215276 JI Annotated Anodyne CC[C@H](Oc1ccc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)cc1OC)c1ccc(OC)nc1 ZINC000473215279 JI Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CC6(CCNCC6)C5)ccc43)cc2OC)cn1 ZINC000473215397 JI Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(C5=C[C@@]6(O)CCCN5C6)ccc43)cc2OC)cn1 ZINC000473215471 JI Annotated Anodyne COc1cc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C2CC2)nc1 ZINC000473215501 JI Annotated Anodyne C[C@@H]1[C@H]2c3cc(N4CCN(C)CC4)ccc3C[C@@H](c3ccc(N4CCN(C)CC4)cc32)N1CC1CC1 ZINC000473235009 JI Annotated Clean CCCC(=O)C1=C(OC)[C@H](C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)C1=O ZINC000473245077 JI Annotated Mild CCCC(=O)C1=C(OC)[C@@H](C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)C1=O ZINC000473245083 JI Annotated Mild O=C1NC(=S)S/C1=C\c1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1 ZINC000473247229 JI Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)COc3cccc4cccnc34)[C@H]12 ZINC000473248049 JI Annotated Mild COc1ccc(-c2nc3sc(C)nn3c2COCc2cn(Cc3ccc(F)cc3)nn2)cc1 ZINC000473248416 JI Annotated Anodyne O=C1NC(=S)S/C1=C\c1ccc(/C=N/n2c(S)nnc2-c2cccc(Cl)c2)cc1 ZINC000473248608 JI Annotated Mild COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccccc4[N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000473249351 JI Annotated Reactive COc1ccc(-c2cn(CC(=O)Nc3c(C(F)(F)F)n[nH]c3-c3ccccc3)nn2)c(C)c1 ZINC000473249355 JI Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(Cl)cc1)CC(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000473249735 JI Annotated Anodyne CC1=NOC(=O)/C1=C/c1c(C(=O)NCc2ccc(OC(F)(F)F)cc2)n(C)c2ccc(F)cc12 ZINC000474609347 JI Annotated Mild CNc1cnc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(NCCO)n1 ZINC000474609687 JI Annotated Anodyne Cn1c(C(=O)NCc2ccc(F)cc2)c(/C=C2/C(=O)ON=C2C(F)(F)F)c2cc(F)ccc21 ZINC000474609744 JI Annotated Mild CN(C)CCN=c1[nH]ccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000474609912 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@H](CNc3nc(NCCc4c[nH]cn4)nc(Nc4ccc5c(c4)OCO5)n3)[C@@H]1C2 ZINC000048308931 JI Annotated Anodyne O=C1C=Cc2cc3c(c4ccc(O)c1c24)C1(Oc2cccc4cccc(c24)O1)[C@H]1C(=O)C=C[C@]31O ZINC000048998314 JI Annotated Mild O=C1C=Cc2cc3c(c4ccc(O)c1c24)C1(Oc2cccc4cccc(c24)O1)[C@H]1C(=O)C=C[C@@]31O ZINC000048998315 JI Annotated Mild O=C1C=Cc2cc3c(c4ccc(O)c1c24)C1(Oc2cccc4cccc(c24)O1)[C@@H]1C(=O)C=C[C@]31O ZINC000048998316 JI Annotated Mild O=C1C=Cc2cc3c(c4ccc(O)c1c24)C1(Oc2cccc4cccc(c24)O1)[C@@H]1C(=O)C=C[C@@]31O ZINC000048998317 JI Annotated Mild CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O ZINC000049031558 JI Annotated Anodyne Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccc(Cl)cc4Cl)c3)C2)cc1F ZINC000049031587 JI Annotated Anodyne C[S@@](=O)c1cc(C(N)=O)cc2nc(NCc3ccccc3Cl)n(C[C@H]3CCCCC[C@H]3O)c12 ZINC000049033526 JI Annotated Anodyne C[S@](=O)c1cc(C(N)=O)cc2nc(NCc3ccccc3Cl)n(C[C@H]3CCCCC[C@H]3O)c12 ZINC000049033528 JI Annotated Anodyne C=C(C)[C@H]1COc2c(C)cc3oc4c([C@@H](OC)[C@@H]5OC5(C)C)ccc(O)c4c(=O)c3c2[C@@H]1O ZINC000049034292 JI Annotated Mild C/C=C(/C)C(=O)[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)C[C@H](C)[C@]1(C)O)OCO3 ZINC000049034519 JI Annotated Mild CC(=O)c1ccc(/C=C/C(=O)N(CC(=O)O)c2ccc(-c3nc4ccc(C#N)cc4n3O)cc2)cc1 ZINC000049034998 JI Annotated Mild CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N\OC)[C@H](C)CS4)c(N)cc2C1 ZINC000049035035 JI Annotated Mild CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N\OC)[C@@H](C)CS4)c(N)cc2C1 ZINC000049035037 JI Annotated Mild Cc1c([C@@H]2c3ccccc3S(=O)(=O)N2CCOc2ccccc2)c2ccccc2n1CC(=O)O ZINC000049035964 JI Annotated Anodyne Cc1c([C@H]2c3ccccc3S(=O)(=O)N2CCOc2ccccc2)c2ccccc2n1CC(=O)O ZINC000049035966 JI Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)/C(=N\OC)CCS4)c2C)C1 ZINC000049036207 JI Annotated Mild CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)/C(=N\OC)[C@H](C)CS4)c2C)C1 ZINC000049036209 JI Annotated Mild CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)/C(=N\OC)[C@@H](C)CS4)c2C)C1 ZINC000049036211 JI Annotated Mild O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccc(Cl)cc3)n[nH]c2c1=O)c1ccccc1 ZINC000049036644 JI Annotated Bother O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1c1cc(F)cc(F)c1 ZINC000049036778 JI Annotated Anodyne O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1c1cc(F)cc(F)c1 ZINC000049036780 JI Annotated Anodyne COc1c(Sc2nnnn2-c2ccc(OCc3ccccc3)cc2)c(=O)[nH]c2ccccc12 ZINC000049045671 JI Annotated Anodyne CN1CCC(N(C)C(=O)[C@@H]2CN(S(=O)(=O)c3cccc(-c4ccccc4)c3)c3ccccc32)CC1 ZINC000049045676 JI Annotated Anodyne CN1CCC(N(C)C(=O)[C@H]2CN(S(=O)(=O)c3cccc(-c4ccccc4)c3)c3ccccc32)CC1 ZINC000049045680 JI Annotated Anodyne CC(=O)NCCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1 ZINC000049046496 JI Annotated Anodyne CN1CCC(N(C)C(=O)[C@@H]2CN(S(=O)(=O)c3cccc4c(Cl)cccc34)c3ccccc32)CC1 ZINC000049047145 JI Annotated Anodyne CN1CCC(N(C)C(=O)[C@H]2CN(S(=O)(=O)c3cccc4c(Cl)cccc34)c3ccccc32)CC1 ZINC000049047148 JI Annotated Anodyne COc1cc2cc(C(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)oc2cc1OC ZINC000049048682 JI Annotated Anodyne CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000049050332 JI Annotated Mild CO[C@@H]1O[C@H](COc2ccccc2C(C)C)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049051258 JI Annotated Anodyne C[C@H]1CN(C(=O)c2ccc(-c3ccncc3F)c(F)c2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000049051595 JI Annotated Anodyne CCC(=O)[C@@H](C)C(=O)[C@@](C)(Cc1ccc(OC)c2c1Nc1cccc(C(=O)O)c1N2)C(=O)OC ZINC000049053092 JI Annotated Anodyne CCC(=O)[C@H](C)C(=O)[C@@](C)(Cc1ccc(OC)c2c1Nc1cccc(C(=O)O)c1N2)C(=O)OC ZINC000049053096 JI Annotated Anodyne CCC(=O)[C@@H](C)C(=O)[C@](C)(Cc1ccc(OC)c2c1Nc1cccc(C(=O)O)c1N2)C(=O)OC ZINC000049053100 JI Annotated Anodyne CCC(=O)[C@H](C)C(=O)[C@](C)(Cc1ccc(OC)c2c1Nc1cccc(C(=O)O)c1N2)C(=O)OC ZINC000049053104 JI Annotated Anodyne Cc1ccc(NC(=O)c2c(C)nc(S(=O)(=O)Cc3ccccc3)nc2-c2ccc(O)cc2O)cc1 ZINC000049053205 JI Annotated Anodyne CO[C@@H]1O[C@H](COc2cccc(C(C)C)c2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049053366 JI Annotated Anodyne CO[C@H]1O[C@H](COc2cccc(C(C)C)c2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049053369 JI Annotated Anodyne Cc1nnsc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Br)c1ccccc1Cl ZINC000049053862 JI Annotated Anodyne O=C(CNS(=O)(=O)c1ccccc1CO)Nc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049054038 JI Annotated Anodyne Cc1nnsc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Br)c1ccc(Cl)cc1 ZINC000049054245 JI Annotated Anodyne CO[C@H]1O[C@H](COc2ccc(OC3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(C(C)C)cc1 ZINC000049054298 JI Annotated Anodyne COCCCCN1CCN(c2nc(Nc3cc(C(C)(C)C)ccc3C)c3c(ncn3C)n2)CC1 ZINC000049055474 JI Annotated Anodyne Cc1cc(C)c(N2C(=O)CCn3c2nc(C)c3C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000049067185 JI Annotated Anodyne C[C@H](Nc1nccc(N(CC2CCNCC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1 ZINC000049067437 JI Annotated Anodyne CN1CCCC[C@@H](N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000049067898 JI Annotated Anodyne Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCN(CC3CCOCC3)CC2)nc2ncn(C)c12 ZINC000049067985 JI Annotated Anodyne c1ccc2c(c1)[nH]c1c[n+](CCOCCOCCOCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 ZINC000049068458 JI Annotated Anodyne COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C[C@@H]2CCCN2C[C@@]1(O)[C@H]3O ZINC000049068547 JI Annotated Anodyne COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(C(C)=O)ccc2[nH]1)C[C@H]3CCl ZINC000049069390 JI Annotated Reactive Cc1ccc(C(=O)NC[C@@H](C)/N=C/c2cc(Br)cc(Br)c2O)c(O)c1 ZINC000049069955 JI Annotated Mild Cc1ccc(C(=O)NC[C@H](C)/N=C/c2cc(Br)cc(Br)c2O)c(O)c1 ZINC000049069958 JI Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H]1Br ZINC000049070225 JI Annotated Reactive COc1ccc(-c2cn([C@H]3C4=C(OC(C)(C)[C@@H]3Br)c3ccccc3C(=O)C4=O)nn2)cc1 ZINC000049070581 JI Annotated Reactive COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(OC)ccc2[nH]1)C[C@H]3CCl ZINC000049070965 JI Annotated Reactive COc1ccc([C@@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3SCCC(=O)N32)cc1OC ZINC000049088231 JI Annotated Anodyne COc1ccc([C@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3SCCC(=O)N32)cc1OC ZINC000049088232 JI Annotated Anodyne COc1ccc([C@@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3SCCC(=O)N32)cc1OC ZINC000049088233 JI Annotated Anodyne COc1ccc([C@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3SCCC(=O)N32)cc1OC ZINC000049088234 JI Annotated Anodyne COc1ccc([C@@H]2N=C(SC(C(C)=O)C(C)=O)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC ZINC000049089103 JI Annotated Anodyne COc1ccc([C@H]2N=C(SC(C(C)=O)C(C)=O)N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC ZINC000049089104 JI Annotated Anodyne O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3cccc(Cl)c3)n[nH]c2c1=O)c1ccccc1 ZINC000049089335 JI Annotated Bother C/C=C(/C)C(=O)[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(O)c(OC)c2OC)C[C@@H](C)[C@H]1O ZINC000049109907 JI Annotated Mild O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccc2)cc1 ZINC000049110654 JI Annotated Anodyne Cc1cc([C@@H](OC[C@@H](O)Cn2ccc(C)n2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049110704 JI Annotated Anodyne Cc1cc([C@@H](OC[C@H](O)Cn2ccc(C)n2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049110706 JI Annotated Anodyne Cc1cc([C@H](OC[C@@H](O)Cn2ccc(C)n2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049110708 JI Annotated Anodyne Cc1cc([C@H](OC[C@H](O)Cn2ccc(C)n2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049110710 JI Annotated Anodyne NC(=O)c1cc([N+](=O)[O-])c2c(c1)nc(NCc1ccccc1Cl)n2C[C@H]1CCCCC[C@H]1O ZINC000049110770 JI Annotated Bother CO[C@H]1O[C@H](COc2ccccc2C(C)C)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049111704 JI Annotated Anodyne Cc1cc([C@H](OC[C@H](O)Cn2cccn2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049112319 JI Annotated Anodyne Cc1cc([C@@H](OC[C@H](O)Cn2cccn2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049112320 JI Annotated Anodyne Cc1cc([C@H](OC[C@@H](O)Cn2cccn2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049112321 JI Annotated Anodyne Cc1cc([C@@H](OC[C@@H](O)Cn2cccn2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049112322 JI Annotated Anodyne CO[C@@H]1O[C@H](COc2ccc(OC3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(C(C)C)cc1 ZINC000049112477 JI Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)/C(=N/O)[C@H](C)CS4)c2C)C1 ZINC000049112630 JI Annotated Mild CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)/C(=N/O)[C@@H](C)CS4)c2C)C1 ZINC000049112631 JI Annotated Mild Cc1ccc2c(c1)[C@@]1(N[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(C)CCC3=O)C(=O)N2 ZINC000049112669 JI Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(C)CCC3=O)C(=O)N2 ZINC000049112670 JI Annotated Anodyne COc1ccc([C@@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3S[C@H](C)C(=O)N32)cc1OC ZINC000049113279 JI Annotated Anodyne COc1ccc([C@@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000049113280 JI Annotated Anodyne COc1ccc([C@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3S[C@H](C)C(=O)N32)cc1OC ZINC000049113281 JI Annotated Anodyne COc1ccc([C@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000049113282 JI Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H](n2cc(-c3ccccc3)nn2)[C@H]1Br ZINC000049113313 JI Annotated Reactive CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/O)[C@H](C)CS4)c(F)cc2C1 ZINC000049116640 JI Annotated Mild CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/O)[C@@H](C)CS4)c(F)cc2C1 ZINC000049116645 JI Annotated Mild Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCN(Cc3ccncc3)CC2)nc2ncn(C)c12 ZINC000049125369 JI Annotated Anodyne COC[C@H](Cc1ccccc1)NC(=O)COc1cccc(F)c1C(=O)NCCC1=CCCCC1 ZINC000049125396 JI Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CN3CC[C@@H]2C3)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000049626779 JI Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2CN3CC[C@@H]2C3)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000049626783 JI Annotated Mild COc1ccc(/C=C/C(=O)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]23C)cc1 ZINC000049677957 JI Annotated Mild C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000049678417 JI Annotated Mild COc1ccccc1/C=C/C(=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000049694452 JI Annotated Mild CN(C)c1ccc(/C=C/C(=O)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]23C)cc1 ZINC000049722898 JI Annotated Mild CC(C)[C@@H]1C=C[C@H](OO)[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr ZINC000049762557 JI Annotated Reactive CCCCCCCCN1C(=O)c2cccc3c(NCCN4CCN(C)CC4)ccc(c23)C1=O ZINC000049763088 JI Annotated Mild CC(C)[C@@H]1C=C[C@H](OO)[C@H]2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O ZINC000049766650 JI Annotated Reactive CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@H](O)CCC2=O)OC ZINC000049775009 JI Annotated Mild CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@@H](O)CCC2=O)OC ZINC000049780218 JI Annotated Mild C=C1C([C@@H](C)[C@H]2CC=C(C)C(=O)O2)=CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@@H]4C(=C[C@@]3(O)C[C@@H]12)C=CC(=O)OC4(C)C ZINC000049780295 JI Annotated Mild CC(=O)O[C@H]1C[C@@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)OC(C)(C)[C@@H](Br)C[C@@H]1O ZINC000049780493 JI Annotated Reactive CC1(C)CCC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)O1 ZINC000049784444 JI Annotated Anodyne CO[C@H]1O[C@H](COc2ccc3c(c2)CCCC3)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049784452 JI Annotated Anodyne COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(NC(C)=O)ccc2[nH]1)C[C@H]3CCl ZINC000049784566 JI Annotated Reactive CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000049785095 JI Annotated Mild Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3Cc3ccccc3N3CCOCC3)nc12 ZINC000049793155 JI Annotated Anodyne CC1(C)CCC[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)O1 ZINC000049793644 JI Annotated Anodyne CC(=O)O[C@H]1C[C@H](Br)C(C)(C)O[C@@]1(C)[C@H]1C[C@@H](Br)[C@](C)(Cl)C[C@@H]1O ZINC000049793811 JI Annotated Reactive C=C(C)[C@@H](O)[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C ZINC000049802668 JI Annotated Mild in-vitro biogenic CO[C@@H]1O[C@H](COc2ccc3c(c2)CCCC3)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049802669 JI Annotated Anodyne CO[C@H]1O[C@H](COc2cccc3c2CCCC3)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049802833 JI Annotated Anodyne CC1=CC(=O)[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@@H](OC(=O)c3ccoc3)C[C@@H]3C[C@]12OC3(C)C ZINC000049803251 JI Annotated Mild O=C(Nc1nc2c(s1)CCCC2)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000049803271 JI Annotated Anodyne O=C(Nc1nc2c(s1)CCCC2)[C@@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000049803272 JI Annotated Anodyne O=C(Nc1nc2c(s1)CCC2)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000049803852 JI Annotated Anodyne O=C(Nc1nc2c(s1)CCC2)[C@@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000049803853 JI Annotated Anodyne Cc1c(C(=O)Nc2ccccc2)[n+](=O)c2cc(CN(C)C/C=C/c3ccccc3)ccc2n1O ZINC000049807462 JI Annotated Anodyne CC(C)CN(C)C(=O)c1ccc2c(CNCCCO)c(-c3n[nH]cc3-c3ccccc3)[nH]c2c1 ZINC000049807527 JI Annotated Anodyne CNC(=O)c1ccc2c(CNCc3ccncc3)c(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 ZINC000049808074 JI Annotated Anodyne CC(C)Cc1csc(NC(=O)[C@@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000049808277 JI Annotated Anodyne CC(C)Cc1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000049808278 JI Annotated Anodyne CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1 ZINC000049808379 JI Annotated Anodyne C[C@@H]1CC(=O)[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@@H](OC(=O)c3ccoc3)C[C@@H]3C[C@]12OC3(C)C ZINC000049808487 JI Annotated Anodyne CC(=O)O[C@@H]1CO[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)[C@@H](O)[C@@H]1O ZINC000049872237 JI Annotated Anodyne COc1nc(OC)c(Br)c(P(=O)(c2ccccc2)c2ccccc2)c1Br ZINC000049872256 JI Annotated Reactive CC(=O)O[C@H]1[C@H](O)[C@@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)OC[C@H]1O ZINC000049872297 JI Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@H]2[C@H]3C[C@]4(C)O[C@@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6[C@]4([C@@H]12)[C@@H]35 ZINC000049872433 JI Annotated Anodyne CC(C)[C@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@@]21C ZINC000049872467 JI Annotated Anodyne CC(=O)O[C@@H]1CO[C@@H](Oc2c(O)c(C)cc3c2[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)[C@@H](O)[C@@H]1O ZINC000049872471 JI Annotated Anodyne CC(=O)O[C@@H]1CO[C@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)[C@@H](O)[C@@H]1O ZINC000049872508 JI Annotated Anodyne CN(C)CCOC(=O)NCc1cccc(-c2cnc(Nc3ccc4c(C#N)cn(C)c4c3)o2)c1 ZINC000049877268 JI Annotated Mild CCOC(=O)c1cn(-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2c1=O ZINC000049881484 JI Annotated Mild C=C1[C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H]2O[C@@H]2[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000049881649 JI Annotated Mild O=C1C(Cl)=C(OCCOCCOC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 ZINC000049952197 JI Annotated Mild Cn1cncc1CN1C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccccc2)Cc2cc(C#N)ccc21 ZINC000000582109 JI Annotated Mild O=C1[C@@H]2[C@@H](c3ccccc3)NC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000588169 JI Annotated Clean CCC[C@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000000591967 JI Annotated Bother in-vitro O=C1C[C@@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)c(O)c2)N1Cc1cccnc1 ZINC000000593295 JI Annotated Clean Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)ccn1 ZINC000000594037 JI Annotated Anodyne Cc1cc(O)cc2c1[C@@H]1O[C@@](C)(Cc3cc4c(c(O)c31)C(=O)c1c(O)cc(O)cc1C4(C)C)O2 ZINC000000598560 JI Annotated Anodyne in-vitro COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4c(=O)ccc5ccccc54)c3)c2cc1OC ZINC000000601956 JI Annotated Anodyne O=C1C[C@@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000000603086 JI Annotated Bother O=C(NNC(=O)C(F)(F)Cc1ccccn1)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000000605986 JI Annotated Reactive C/C(=N\NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)C)c1 ZINC000000659495 JI Annotated Reactive COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1COc1ccccc1[N+](=O)[O-] ZINC000000663006 JI Annotated Mild Cc1cc(NC(=O)CSC2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)no1 ZINC000000691824 JI Annotated Clean COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1 ZINC000000715079 JI Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1 ZINC000000715080 JI Annotated Reactive Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000756256 JI Annotated Reactive Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000756257 JI Annotated Reactive Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000756258 JI Annotated Reactive Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000756259 JI Annotated Reactive COc1ccc(CN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000758296 JI Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000758297 JI Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000758543 JI Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000758544 JI Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000758545 JI Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000758546 JI Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758547 JI Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758548 JI Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758549 JI Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758550 JI Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000760163 JI Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000760164 JI Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000760165 JI Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000760166 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000000760369 JI Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760604 JI Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760605 JI Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760606 JI Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760607 JI Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760620 JI Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760621 JI Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760622 JI Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760623 JI Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760712 JI Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760713 JI Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760714 JI Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760715 JI Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000763055 JI Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000763056 JI Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000763181 JI Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000763182 JI Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000763183 JI Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000763184 JI Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763305 JI Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763306 JI Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763307 JI Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763308 JI Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763309 JI Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763310 JI Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000764814 JI Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000764815 JI Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000764816 JI Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000764817 JI Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764866 JI Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764867 JI Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764868 JI Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764869 JI Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764870 JI Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764871 JI Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764872 JI Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764873 JI Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764874 JI Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764875 JI Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764876 JI Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000764877 JI Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NC[C@H]2CCCO2)CC(C)(C)O3)cc1OC ZINC000000764921 JI Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NC[C@H]2CCCO2)CC(C)(C)O3)cc1OC ZINC000000764922 JI Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NC[C@@H]2CCCO2)CC(C)(C)O3)cc1OC ZINC000000764923 JI Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NC[C@@H]2CCCO2)CC(C)(C)O3)cc1OC ZINC000000764924 JI Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000765342 JI Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000765343 JI Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000765418 JI Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000765419 JI Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000765496 JI Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000765497 JI Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000765500 JI Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000765501 JI Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000765530 JI Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000765531 JI Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000765550 JI Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000765551 JI Annotated Anodyne COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)cc1OC ZINC000000766899 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000000766985 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000000766986 JI Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000767009 JI Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000767010 JI Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000000767090 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000767096 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000767124 JI Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000000767129 JI Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000767182 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000000767202 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767217 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000767225 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000767534 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000767535 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2OC)cc(OC)c1 ZINC000000767542 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2OC)cc(OC)c1 ZINC000000767543 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000000767626 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000767647 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000767648 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000000767651 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000000767653 JI Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000767724 JI Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000767725 JI Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000767732 JI Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000767734 JI Annotated Bother COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000767778 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000767779 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000767790 JI Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767946 JI Annotated Bother Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767948 JI Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000768005 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000768006 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000768019 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000768020 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000000768052 JI Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000768524 JI Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000768525 JI Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000768526 JI Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000768527 JI Annotated Anodyne O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000000768681 JI Annotated Anodyne O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000000768683 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000000768695 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000768741 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000768742 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000000768782 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000768796 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000768850 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000768852 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000768930 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000768932 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)c1OC ZINC000000768982 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)c1OC ZINC000000768984 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)c1 ZINC000000768986 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)c1 ZINC000000768988 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)cc(OC)c1 ZINC000000768990 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)cc(OC)c1 ZINC000000768992 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000769038 JI Annotated Bother CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000769040 JI Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000000769088 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000000769089 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000000769105 JI Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)cc1OC ZINC000000769185 JI Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)cc1OC ZINC000000769187 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000769253 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)cc1OC ZINC000000769281 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)cc1OC ZINC000000769283 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000769338 JI Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000000769361 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000769545 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000769547 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769572 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769574 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000000769592 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769650 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000769677 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000769719 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)c1OC ZINC000000769730 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)c1OC ZINC000000769732 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)c1 ZINC000000769734 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)c1 ZINC000000769736 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)cc(OC)c1 ZINC000000769738 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)cc(OC)c1 ZINC000000769740 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)c1OC ZINC000000769858 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)c1OC ZINC000000769860 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)c1 ZINC000000769862 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)c1 ZINC000000769864 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)cc(OC)c1 ZINC000000769866 JI Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)cc(OC)c1 ZINC000000769868 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)cc1OC ZINC000000770023 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)cc1OC ZINC000000770025 JI Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000770032 JI Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000770033 JI Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000000770048 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770101 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770102 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)cc1OC ZINC000000770230 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)cc1OC ZINC000000770232 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000000770263 JI Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)ccc1OC ZINC000000770281 JI Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)ccc1OC ZINC000000770283 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)c1 ZINC000000770298 JI Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)c1 ZINC000000770299 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000770328 JI Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000770330 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000000770336 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC ZINC000000770338 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770350 JI Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770352 JI Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000000770368 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000770557 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC(C)(C)O2 ZINC000000770644 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC(C)(C)O2 ZINC000000770645 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC(C)(C)O2 ZINC000000770647 JI Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000770664 JI Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000770665 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000770666 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000770667 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000770686 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000770687 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000770688 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000770689 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000770756 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000770800 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000770850 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770966 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770967 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770968 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770969 JI Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000771110 JI Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000771111 JI Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000771112 JI Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000771113 JI Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000771114 JI Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000771115 JI Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000771116 JI Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000771117 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000771118 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000771119 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000771120 JI Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000771121 JI Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000771220 JI Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000771221 JI Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771222 JI Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771223 JI Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000000771346 JI Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000000771347 JI Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000000771348 JI Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000000771349 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771420 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771422 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771424 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771426 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771428 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771430 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1N ZINC000000771539 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1N ZINC000000771540 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000771555 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000771593 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000771604 JI Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000771605 JI Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000000771620 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N(C)C ZINC000000771673 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N(C)C ZINC000000771675 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771779 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771781 JI Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2N)c1 ZINC000000771788 JI Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2N)c1 ZINC000000771789 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000000771924 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000771977 JI Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000771990 JI Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000771991 JI Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000000772024 JI Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772069 JI Annotated Anodyne O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000000772157 JI Annotated Anodyne O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000000772159 JI Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000000772170 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CCOCC1 ZINC000000772215 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CCOCC1 ZINC000000772216 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)C1 ZINC000000772255 JI Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000772269 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000772323 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000772325 JI Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000772403 JI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000772405 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)c1OC ZINC000000772455 JI Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)c1OC ZINC000000772457 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)c1 ZINC000000772459 JI Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)c1 ZINC000000772461 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)cc(OC)c1 ZINC000000772463 JI Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)cc(OC)c1 ZINC000000772465 JI Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772511 JI Annotated Bother CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772513 JI Annotated Bother COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000000772561 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000000772562 JI Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)cc1OC ZINC000000772656 JI Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)cc1OC ZINC000000772658 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000772724 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)cc1OC ZINC000000772752 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)cc1OC ZINC000000772754 JI Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000772809 JI Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772855 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000000773001 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000000773002 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000000773047 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000000773049 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000000773056 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000773067 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000000773115 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000000773117 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000000773123 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000000773125 JI Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000000773141 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000773171 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000000773214 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000000773216 JI Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000773226 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000000773262 JI Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000000773301 JI Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000000773302 JI Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000773326 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000000773359 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000000773360 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000000773361 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000000773362 JI Annotated Anodyne COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000000773386 JI Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000000773387 JI Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000000773388 JI Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000000773389 JI Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000000773488 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000000773489 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000000773490 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000000773491 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000773526 JI Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000773527 JI Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000773528 JI Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000773529 JI Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000773543 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000773544 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000000773561 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000000773562 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000000774044 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000000774045 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774084 JI Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774085 JI Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774086 JI Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774087 JI Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1OC ZINC000000774119 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1OC ZINC000000774120 JI Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H](C)C(C)C)cc1 ZINC000000774324 JI Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H](C)C(C)C)cc1 ZINC000000774325 JI Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCC(C)C)cc1 ZINC000000774442 JI Annotated Bother O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774537 JI Annotated Bother O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774538 JI Annotated Bother O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774539 JI Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774540 JI Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774645 JI Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774646 JI Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774647 JI Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774648 JI Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774663 JI Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774664 JI Annotated Bother COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000774751 JI Annotated Anodyne CC(C)(CO)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774757 JI Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000774761 JI Annotated Bother COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000000774945 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000000774946 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000000774947 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000000774948 JI Annotated Anodyne COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000000774972 JI Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000000774973 JI Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000000774974 JI Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000000774975 JI Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775074 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775075 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775076 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775077 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775112 JI Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775113 JI Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775114 JI Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775115 JI Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775129 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775130 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000000775147 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000000775148 JI Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCc1ccc(F)cc1 ZINC000000775519 JI Annotated Bother COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000000775539 JI Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC ZINC000000775540 JI Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OC ZINC000000775541 JI Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000000775542 JI Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000775553 JI Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000775554 JI Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000775555 JI Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000775556 JI Annotated Anodyne COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC000000775688 JI Annotated Bother COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC000000775845 JI Annotated Bother COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000000775846 JI Annotated Bother COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1 ZINC000000775847 JI Annotated Bother COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCC(C)(C)CO)cc1OC ZINC000000775859 JI Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCc1ccccc1F ZINC000000775963 JI Annotated Bother COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775971 JI Annotated Bother COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776191 JI Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776192 JI Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776193 JI Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776194 JI Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000776611 JI Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000776612 JI Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000776613 JI Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000776614 JI Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000776615 JI Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000776616 JI Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000776617 JI Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000776618 JI Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000776619 JI Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000776620 JI Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000776621 JI Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000776622 JI Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776880 JI Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776881 JI Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776882 JI Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776883 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000000776985 JI Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1 ZINC000000776986 JI Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000777168 JI Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000777626 JI Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000777627 JI Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000777628 JI Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000777629 JI Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777661 JI Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777662 JI Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000000777798 JI Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000000777799 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000000785007 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3ccco3)C2)c1 ZINC000000785117 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@@H](C)O)ccc2c1 ZINC000000786159 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000000786313 JI Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCc1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000788095 JI Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCc1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000788096 JI Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2F)c1 ZINC000000790311 JI Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2F)c1 ZINC000000790313 JI Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2F)c1 ZINC000000790315 JI Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2F)c1 ZINC000000790317 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000000790370 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000000790373 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000000790375 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000000790377 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](C)CO)ccc2c1 ZINC000000790440 JI Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1F ZINC000000790463 JI Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000000790465 JI Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1F ZINC000000790467 JI Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000000790469 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000000790481 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000000790483 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000000790485 JI Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000000790488 JI Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000000790544 JI Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc1 ZINC000000790904 JI Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc1 ZINC000000790905 JI Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc1 ZINC000000790907 JI Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc1 ZINC000000790908 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000000791034 JI Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000791107 JI Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000791109 JI Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000791112 JI Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000791114 JI Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000000791272 JI Annotated Anodyne CC(C)(C)NC[C@H](O)COc1c(Br)ccc2c1sc1nc3n(c(=O)c12)CCCCC3 ZINC000000846748 JI Annotated Anodyne CC(C)(C)NC[C@@H](O)COc1c(Br)ccc2c1sc1nc3n(c(=O)c12)CCCCC3 ZINC000000846749 JI Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000000866784 JI Annotated Anodyne Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)c1cnccn1 ZINC000000922477 JI Annotated Anodyne COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc(OC)c1OC ZINC000000986031 JI Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc(OC)c1OC ZINC000000986032 JI Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@@](C)(C[C@@]14C(=O)O[C@H]1C[C@H](C)[C@@H]5CC(=O)C(C)=C5C[C@@H]14)[C@H]23 ZINC000523041464 JI Annotated Mild N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1cccnc1 ZINC000052542166 JI Annotated Mild CN1CCC(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000052565875 JI Annotated Anodyne O=C(O)[C@H](Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)N1Cc2ccccc2C1=O ZINC000052569897 JI Annotated Anodyne O=C1CSc2ccc(CNC3CCN(CCc4c(Cl)cnc5ccc(F)cc45)CC3)nc2N1 ZINC000052996091 JI Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(OCCc3ccc(O)c(OC)c3)C=C(C)[C@@H](C[C@H]3OC(=O)C(=C)[C@H]13)O2 ZINC000525915051 JI Annotated Mild OCCN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000053084316 JI Annotated Anodyne CCOC(=O)C1=C(N)OC(c2cn(C)c3ccccc23)=C(C#N)[C@@]12C(=O)c1cccc3cccc2c13 ZINC000053226504 JI Annotated Reactive O=C1CS[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053243669 JI Annotated Clean O=C1CS[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053243670 JI Annotated Clean O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053294024 JI Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053294026 JI Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053294028 JI Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053294031 JI Annotated Reactive COc1cc(OC)cc(-c2cn(-c3ccc(O)c(C(=O)OCCCc4ccccc4)c3)nn2)c1 ZINC000053298175 JI Annotated Anodyne CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12 ZINC000053312317 JI Annotated Anodyne CCCCN1C(=O)[C@@]2(C(C#N)=C(c3c[nH]c4ccccc34)OC(N)=C2C(=O)OCC)c2ccccc21 ZINC000053313949 JI Annotated Reactive CCOC(=O)C1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)c1cccc3cccc2c13 ZINC000053314249 JI Annotated Reactive Cc1cc(C)nc(NS(=O)(=O)c2ccc(NN=c3c4ccccc4n(C)c4ccccc34)cc2)n1 ZINC000005538214 JI Annotated Bother CC(C)[C@@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=S)N1CC[S@@](=O)c1ccccc1 ZINC000005539114 JI Annotated Anodyne CC(C)[C@@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=S)N1CC[S@](=O)c1ccccc1 ZINC000005539115 JI Annotated Anodyne CC(C)[C@@]1(O)C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=S)N1CCSc1ccccc1 ZINC000005539120 JI Annotated Anodyne CC[C@@]1(C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN3C2=O)COC2(CCCCC2)O1 ZINC000005542002 JI Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005542227 JI Annotated Anodyne Cc1ccc(O[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(Br)nc43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000005542595 JI Annotated Anodyne Cc1ccc(O[C@H]2C[C@H](n3cnc4c(=O)[nH]c(Br)nc43)O[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005542599 JI Annotated Anodyne Cc1ccc(O[C@H]2O[C@H](n3cnc4c(=O)[nH]c(Br)nc43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000005542601 JI Annotated Anodyne Cc1ccc(O[C@H]2C[C@@H](n3cnc4c(=O)[nH]c(Br)nc43)O[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005542603 JI Annotated Anodyne C[n+]1c2ccccc2c(/C(O)=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc21 ZINC000005579276 JI Annotated Mild CCOc1cc([C@@H]2CC(c3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)=NN2)ccc1O ZINC000005579442 JI Annotated Bother CC(=O)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1 ZINC000005581436 JI Annotated Bother O=c1oc2ccc([N+](=O)[O-])cc2c(Nc2ccc3c(c2)S(=O)(=O)c2ccccc2O3)c1[N+](=O)[O-] ZINC000005597015 JI Annotated Bother N#CCCN(c1ccc(/C=C2\N=C(Cc3ccccc3)OC2=O)cc1)S(=O)(=O)c1ccccc1 ZINC000005723857 JI Annotated Mild O=[N+]([O-])c1cccc([C@@H](O)/C(=N/Nc2ccccc2)[C@H]2Nc3ccc([N+](=O)[O-])cc3N=C2O)c1 ZINC000005733058 JI Annotated Mild O=[N+]([O-])c1cccc([C@H](O)/C(=N/Nc2ccccc2)[C@H]2Nc3ccc([N+](=O)[O-])cc3N=C2O)c1 ZINC000005733063 JI Annotated Mild CC[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@H]12)c1ccc(Cl)cc1 ZINC000005767219 JI Annotated Bother CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@H]12)c1ccc(Cl)cc1 ZINC000005767226 JI Annotated Bother CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000005801299 JI Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000005801300 JI Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000005801301 JI Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000005801302 JI Annotated Mild Cc1ccc([C@@]2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccccc2Cl)cc1 ZINC000005807963 JI Annotated Bother Cc1ccc([C@@]2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000005807964 JI Annotated Bother CCOC(=O)/C=C1/[C@H](CCCOCc2ccccc2)[C@H]2CCC[C@]23CC2(CCN13)OCCO2 ZINC000005812851 JI Annotated Anodyne CCOC(=O)/C=C1/[C@@H](CCCOCc2ccccc2)[C@H]2CCC[C@]23CC2(CCN13)OCCO2 ZINC000005812853 JI Annotated Anodyne O=C(OCc1ccc([N+](=O)[O-])cc1)N1c2ccccc2[C@@]23O[C@]24CCC[C@H]3C#C/C=C\C#C[C@H]14 ZINC000005822872 JI Annotated Mild Cc1ccc(OC[C@H]2O[C@@H](n3cnc4nc(N)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005833694 JI Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](n3cnc4nc(N)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005833703 JI Annotated Anodyne COc1cc(C(c2c(O)oc3ccccc3c2=O)c2c(O)oc3ccccc3c2=O)ccc1O ZINC000005835076 JI Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2c3ccccc3C=CN2C(C(=O)OCC)=C(SC)S1 ZINC000005845452 JI Annotated Anodyne Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccccc4[N+](=O)[O-])c3nc12 ZINC000005845739 JI Annotated Clean Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])s4)c3nc12 ZINC000005845746 JI Annotated Clean Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sccc4[N+](=O)[O-])c3nc12 ZINC000005845766 JI Annotated Clean COc1ccc([C@@H]2c3c(-c4ccccc4)nn(-c4ccccc4)c3Oc3ncn(N)c(=N)c32)cc1OC ZINC000005846537 JI Annotated Anodyne COC(=O)Cc1c([C@H]2[C@H](CC(=O)OC)c3ccccc3N2C(=O)C(F)(F)F)[nH]c2ccccc12 ZINC000005848155 JI Annotated Anodyne COc1ccc(C2=C[C@@H](C(C)=C(C(N)=O)C(N)=O)C=C(c3ccc(Br)cc3)C2)c(OC)c1 ZINC000005848506 JI Annotated Anodyne CCOC(=O)/C=C(/OCC)[C@@H]1C(C(=O)c2ccc(Cl)cc2)[C@@H]1/C(=C\C(=O)OCC)OCC ZINC000005850010 JI Annotated Anodyne CCOC(=O)/C=C(/OCC)[C@@H]1C(C(=O)c2ccc(Cl)cc2)[C@H]1/C(=C\C(=O)OCC)OCC ZINC000005850015 JI Annotated Anodyne COc1cc([C@@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000005852599 JI Annotated Anodyne COc1cc2c3c(c1OC)-c1c(ccc4c1OCO4)C[C@]3(C#N)N(C(=O)c1ccccc1)CC2 ZINC000005883491 JI Annotated Mild NC(=O)N/N=C(\CCC(=O)N(Cc1ccccc1)Cc1ccccc1)CC(=O)c1ccc(F)cc1 ZINC000005890972 JI Annotated Reactive CC[C@H]1O[C@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(C)=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000005923038 JI Annotated Anodyne CC[C@@H]1O[C@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(C)=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000005923040 JI Annotated Anodyne C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@@H]3CN(C(=O)OCc4ccccc4)c4ccccc43)C[C@H]12 ZINC000005923569 JI Annotated Anodyne C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@H]3CN(C(=O)OCc4ccccc4)c4ccccc43)C[C@H]12 ZINC000005923571 JI Annotated Anodyne COC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@H]3CCl ZINC000005925063 JI Annotated Reactive C/C(=N/NC(=S)N1CCCCCC1)c1cccc(/C(C)=N\NC(=S)N2CCCCCC2)n1 ZINC000005957193 JI Annotated Mild Cc1ccc2cccc(OC(=O)c3cc4c(cc3Cl)Sc3nccn3S4(=O)=O)c2n1 ZINC000005983624 JI Annotated Anodyne CCCN1C/C(=C\c2cccc(OC)c2OC)C2=NN(C(C)=O)[C@@H](c3cccc(OC)c3OC)[C@H]2C1 ZINC000055028186 JI Annotated Anodyne Cc1nn(C)c(Cl)c1CN1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000055054609 JI Annotated Anodyne COc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc(OC(C)=O)c(COC(C)=O)c32)cc1 ZINC000055501701 JI Annotated Bother N#Cc1c(-c2ccc(N3CCCCC3)cc2)c(C#N)c2n(Cc3ccccc3)c(S)nn2c1=N ZINC000055665086 JI Annotated Anodyne N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc(Cl)cc1Cl ZINC000055812578 JI Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccc(Cl)cc1Cl ZINC000055812579 JI Annotated Reactive COc1ccc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)c2ccccc12 ZINC000055812582 JI Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)c2ccccc12 ZINC000055812583 JI Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000055837532 JI Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000055837533 JI Annotated Reactive CC(=O)N1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@H]1CCC(=O)[C@@]2(C[C@@H]3C[C@@H](C)C[C@H]4[C@@H]3C[C@@H]2CN4C)N1 ZINC000056871311 JI Annotated Anodyne in-vitro biogenic O=S(=O)(O)c1cc(/N=[N+](\O)c2cc(S(=O)(=O)O)c3ccccc3c2)cc2ccccc12 ZINC000057680551 JI Annotated Clean COc1cc(OC)cc(N2CCN(CCNCCOc3ccccc3)[C@@H](c3ccccc3)C2)c1 ZINC000058487461 JI Annotated Anodyne CN(Cc1cc([C@H](CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000584904656 JI Annotated Anodyne CCC(O)(CC)C1=C[C]2N/C(=C3/N=Nc4ccsc43)C=C2C(OCCN2CCOCC2)=C1 ZINC000584904659 JI Annotated Anodyne Cc1ccccc1OS(=O)(=O)[C@@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905031 JI Annotated Anodyne O=C(NCc1ccc2ncccc2c1)C1CCN(c2ccc(-c3cc(CO)ccc3F)cn2)CC1 ZINC000584905130 JI Annotated Anodyne N#C[C@H]1C[C@@H]1c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12 ZINC000584905201 JI Annotated Mild CCOc1nn(-c2ccccc2)c(NC(=O)N[C@@H]2CN(CCOC)C[C@H]2c2ccc(F)c(F)c2)c1C ZINC000584905438 JI Annotated Anodyne CCN(c1ccc(OC)cc1)S(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905633 JI Annotated Anodyne O=S(=O)(Oc1ccccc1F)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905645 JI Annotated Anodyne O=S(=O)(Oc1cccc(F)c1)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905682 JI Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1c1cc(F)cc(F)c1 ZINC000058523743 JI Annotated Anodyne CN1CCC[C@H](CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)C1 ZINC000058533913 JI Annotated Anodyne O=S(=O)(NC[C@@H](c1cccc2c1OCO2)N1CCCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000058538040 JI Annotated Anodyne NC(=O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1 ZINC000058538113 JI Annotated Anodyne COc1ccc(CCN2CN=C(SCc3ccc(Br)cc3)NC2)cc1OC ZINC000058538243 JI Annotated Anodyne CN(C)C12C[C@H](OC(=O)CN3CCC(O)CC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000058538609 JI Annotated Anodyne CN(C)C12C[C@H](OC(=O)CCN3CCC(O)CC3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000058539382 JI Annotated Anodyne Cc1oc(-c2ccccc2)cc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Br ZINC000058541082 JI Annotated Reactive CONC(=O)c1ccc(C)c(Nc2nc(NC[C@H]3CCC[C@@H](CN)C3)nc(N[C@@H](C)C(C)(C)C)n2)c1 ZINC000058541291 JI Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000058541328 JI Annotated Anodyne O=C(Cc1ccccc1Cl)Nc1cc(Br)ccc1OCCNCCCCCO ZINC000058541445 JI Annotated Anodyne C=C(C#N)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)OC[C@H]1C ZINC000058555756 JI Annotated Reactive COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2Br)[nH]n1 ZINC000058563611 JI Annotated Anodyne CC(C)CN(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc(C#N)ncc1Br ZINC000058563687 JI Annotated Reactive CC(C)CN(NC(=O)C(C)(C)c1ccc(Cl)cc1)c1nc(C#N)ncc1Br ZINC000058568370 JI Annotated Reactive CONC(=O)c1ccc(C)c(Nc2nc(NC[C@H]3CCC[C@@H](CN)C3)nc(NC3CCCCC3)n2)c1 ZINC000058568481 JI Annotated Anodyne CC(C)CN(NC(=O)c1cccc2c1-c1ccccc1C2=O)c1nc(C#N)ncc1Br ZINC000058568538 JI Annotated Reactive CC(C)CN(NC(=O)c1cccc2c1C(=O)c1ccccc1-2)c1nc(C#N)ncc1Br ZINC000058568539 JI Annotated Reactive Cc1nc(-c2ccc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)cc2)cs1 ZINC000058568777 JI Annotated Reactive CC(C)CN(NC(=O)Cc1c(Cl)cccc1Cl)c1nc(C#N)ncc1Br ZINC000058568839 JI Annotated Reactive CC(C)CN(NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(C#N)ncc1Cl ZINC000058569130 JI Annotated Reactive CN1CC[C@@](O)(c2ccc(Br)cc2)[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000058570569 JI Annotated Anodyne O=C(O)c1cccc(-n2c(/C=C/c3cccnc3)nc3ccc(I)cc3c2=O)c1 ZINC000058575044 JI Annotated Anodyne CC(C)CN(NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(C#N)ncc1Br ZINC000058575789 JI Annotated Reactive NS(=O)(=O)c1cc([N+](=O)[O-])c(N(CC2CCCCC2)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000058576032 JI Annotated Bother CC(C)CN(NC(=O)c1csc(-c2ccccc2)n1)c1nc(C#N)ncc1Br ZINC000058581151 JI Annotated Reactive C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccccc21 ZINC000058581341 JI Annotated Reactive CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3csc(C)n3)c2)o1)C1CCCCC1 ZINC000058581464 JI Annotated Anodyne C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 ZINC000058581875 JI Annotated Reactive FC(F)(F)Oc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058582278 JI Annotated Anodyne Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Cl ZINC000058582465 JI Annotated Reactive Cc1ccc2c(c1)NC[C@@]21CCN(C[C@@H](O)C2CCN(c3ccnc(Cl)c3)CC2)C[C@H]1C ZINC000058582916 JI Annotated Anodyne COc1cc(/C=C2/C(=O)N([C@@H](C)c3ccc(F)cc3)C(N)=NC2(C)C)ccc1-n1cnc(C)c1 ZINC000058584017 JI Annotated Anodyne CCN1CC[C@@H](c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)N=C12 ZINC000058584055 JI Annotated Anodyne COc1cc(/C=C2\N/C(=N\C3CC3)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058584087 JI Annotated Mild N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1cc(Br)c2c(c1)OCO2 ZINC000058590436 JI Annotated Reactive CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ncccc3C)c2)o1)C1CCCCC1 ZINC000058590442 JI Annotated Anodyne C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccccc21 ZINC000058590482 JI Annotated Reactive COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1O[C@H]1CCCCO1 ZINC000058590486 JI Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccc(-n3cccc3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058590838 JI Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)c2ccc(O)cc2)ccc1O ZINC000058591000 JI Annotated Reactive CC(C)CN(NC(=O)c1cccc2c1Cc1ccccc1-2)c1nc(C#N)ncc1Br ZINC000058591257 JI Annotated Reactive CCCC/N=C1\N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000058591761 JI Annotated Mild CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCC(N4CCCC4)CC3)cc2c1=O ZINC000058592192 JI Annotated Anodyne C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 ZINC000058592370 JI Annotated Reactive CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccc(C)n3)c2)o1)C1CCCCC1 ZINC000058592479 JI Annotated Anodyne CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccc(C)o3)c2)o1)C1CCCCC1 ZINC000058592577 JI Annotated Anodyne CCN1CCN(CCN2CCC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058592749 JI Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccc(-c3ccccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058599783 JI Annotated Anodyne CCCN[C@H]1COCCN1c1nc(N2CCCc3ccccc32)nc(N2CCCc3ccccc32)n1 ZINC000058603025 JI Annotated Anodyne CCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC1CCN(C)CC1 ZINC000058603542 JI Annotated Anodyne CN1CCC(Nc2cccc(S(=O)(=O)Nc3c(F)cc(F)cc3Br)c2)CC1 ZINC000058603693 JI Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOC(C)(C)C5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000058617405 JI Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000058631342 JI Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000058632704 JI Annotated Anodyne N=c1oc2ccccc2cc1C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000058638752 JI Annotated Anodyne CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1 ZINC000058651244 JI Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCN(C)CCO[P@@](=O)(O)OP(=O)(O)O ZINC000058661288 JI Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(C(=N)N)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000058669423 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000058692775 JI Annotated Mild CCCC1(c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)CCC1 ZINC000586877552 JI Annotated Anodyne Nc1nccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c12 ZINC000586878590 JI Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cnnc(O)c5[nH]4)c3)cc2)c1 ZINC000586879301 JI Annotated Anodyne C#Cc1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000586880405 JI Annotated Mild O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ncc[nH]c-5n4)c3)cc2)c1 ZINC000586881063 JI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586882307 JI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586882446 JI Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@H]6C=CC[C@@H](C5)C6=O)[nH]c4c3)cc2)CC1 ZINC000586883576 JI Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5C[C@H]6C=CC[C@@H](C5)C6=O)[nH]c4c3)cc2)CC1 ZINC000586883577 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3CCCC(=O)CC3)nc1-2 ZINC000586884672 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3CCCC(=O)CC3)nc1-2 ZINC000586884921 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc1-2 ZINC000586885372 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc1-2 ZINC000586885379 JI Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586885938 JI Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586885944 JI Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586885945 JI Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586885947 JI Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586891183 JI Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586891196 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C34CCC(CO)(CC3)CC4)nc12 ZINC000586895710 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(c4ccccc4O)CC3)nc12 ZINC000586896408 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(c4ccc(O)cc4)CC3)nc12 ZINC000586898395 JI Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586900941 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 ZINC000586901481 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 ZINC000586901686 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@@H](O)c4ccccc43)nc1-2 ZINC000586903103 JI Annotated Anodyne CCOCc1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)o1 ZINC000586903104 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@H](O)c4ccccc43)nc1-2 ZINC000586903109 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H](O)c4ccccc43)nc1-2 ZINC000586903110 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@H](O)c4ccccc43)nc1-2 ZINC000586903111 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2c1 ZINC000586903355 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2c1 ZINC000586903361 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4oc5c(c4C)[C@@H](O)CCC5)nc3c2)cc1 ZINC000586903373 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4oc5c(c4C)[C@H](O)CCC5)nc3c2)cc1 ZINC000586903374 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 ZINC000586903638 JI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(I)c4[nH]3)oc12 ZINC000586903798 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c(C)oc5c4C(=O)CCC5)[nH]c3c2)cc1 ZINC000586904621 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3occ4c3CCC4)nc12 ZINC000586905567 JI Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586905962 JI Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586905967 JI Annotated Anodyne Ic1cnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586909848 JI Annotated Mild Ic1cnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586909852 JI Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586909958 JI Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586909963 JI Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586910303 JI Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586910306 JI Annotated Mild Oc1ccc(C2(c3nc4c(I)cnc(Cl)c4[nH]3)CCOCC2)cc1 ZINC000586912145 JI Annotated Anodyne O=C(O)c1cc2[nH]c([C@H](O)C3CCOCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586913164 JI Annotated Bother O=C(O)c1cc2[nH]c([C@@H](O)C3CCOCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586913170 JI Annotated Bother CC[C@@H]1OCCC[C@H]1c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586913312 JI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586913315 JI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586913317 JI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586913318 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3c2)cc1 ZINC000586913493 JI Annotated Anodyne Oc1ccc(C2(c3nc4c(Br)cnc(Br)c4[nH]3)CCOCC2)cc1 ZINC000586913991 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586914313 JI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586914585 JI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586914587 JI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586914589 JI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586914590 JI Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c(=O)oc2c1C ZINC000586916962 JI Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(=O)(=O)O)cc4[nH]3)c(=O)oc2c1C ZINC000586917086 JI Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(=O)oc2c1C ZINC000586917100 JI Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)ccc12 ZINC000586917417 JI Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c(=O)oc2c1C ZINC000586917522 JI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586917605 JI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586917606 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1 ZINC000586917608 JI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586917610 JI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586917612 JI Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586917950 JI Annotated Anodyne COc1ccc2c(C)c(CCc3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(=O)oc2c1C ZINC000586918176 JI Annotated Anodyne COc1ccc2c(C)c(CCc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(=O)oc2c1C ZINC000586918472 JI Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(I)cnc4[nH]3)c(=O)oc2c1C ZINC000586919253 JI Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586919694 JI Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586919753 JI Annotated Bother CSc1sc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919781 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 ZINC000586919883 JI Annotated Anodyne CC(C)COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000586919892 JI Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586919940 JI Annotated Anodyne CCCCOc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000586919975 JI Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586920011 JI Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586920072 JI Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586920129 JI Annotated Bother CSc1sc(-c2nc3c(S)nc(S)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920294 JI Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586920409 JI Annotated Bother COC(=O)c1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586920417 JI Annotated Bother CSc1sc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920422 JI Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586920449 JI Annotated Bother CSc1sc(-c2nc3nc(Br)c[nH]c-3n2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920531 JI Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586920585 JI Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586920809 JI Annotated Bother CCCCOc1cc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000586920876 JI Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586920884 JI Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586920993 JI Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586921083 JI Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(I)cnc2[nH]1)c1ccccc1 ZINC000586921512 JI Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccccc1 ZINC000586922554 JI Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586922583 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Br)c(C)c4[nH]3)c2)o1 ZINC000586922868 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)o1 ZINC000586923249 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)o1 ZINC000586923287 JI Annotated Bother CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)o1 ZINC000586923372 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c2)o1 ZINC000586923378 JI Annotated Mild CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)o1 ZINC000586923446 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)o1 ZINC000586923494 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)o1 ZINC000586923725 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)o1 ZINC000586923761 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)o1 ZINC000586923798 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C)cc(Br)c4[nH]3)c2)o1 ZINC000586923828 JI Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)o1 ZINC000586923869 JI Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 ZINC000586923931 JI Annotated Anodyne COc1cc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924325 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586924330 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586924336 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586924344 JI Annotated Unstable COc1cc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924367 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586924370 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586924374 JI Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924454 JI Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924474 JI Annotated Bother CS(=O)(=O)c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924582 JI Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586924591 JI Annotated Unstable COc1cc(Cc2nc3ccc(Br)c(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924647 JI Annotated Unstable COc1cc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924700 JI Annotated Unstable COc1cc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924715 JI Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2c1 ZINC000586924747 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586924802 JI Annotated Unstable COC(=O)c1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586924826 JI Annotated Anodyne COc1cc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924856 JI Annotated Unstable COc1cc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924865 JI Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586924925 JI Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000586925004 JI Annotated Unstable CC1=C(c2ccc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3c2)NNC(=O)C1 ZINC000586925029 JI Annotated Unstable O=[N+]([O-])c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000586925090 JI Annotated Unstable COc1cc(Cc2nc3cc(Br)cc(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925105 JI Annotated Unstable COc1cc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925133 JI Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccnc(Cl)c3[nH]2)CC1 ZINC000586925196 JI Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccccc1 ZINC000586925400 JI Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccccc1 ZINC000586925401 JI Annotated Anodyne COc1cc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925451 JI Annotated Unstable COc1cc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925457 JI Annotated Unstable COc1cc(Cc2nc3cc(C)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925460 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586925484 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586925543 JI Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(I)c2[nH]1 ZINC000586925548 JI Annotated Unstable COc1cc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925622 JI Annotated Unstable COc1cc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925623 JI Annotated Unstable N[C@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586925634 JI Annotated Unstable N[C@@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586925640 JI Annotated Unstable COc1cc(Cc2nc3cc(Br)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925685 JI Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586925778 JI Annotated Anodyne COc1cc(Cc2nc3cc(C)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925797 JI Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1Cl ZINC000586925872 JI Annotated Unstable CCCOc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1Br ZINC000586925893 JI Annotated Anodyne COc1cc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925925 JI Annotated Unstable COc1cc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925971 JI Annotated Unstable COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926033 JI Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cncc(Cl)c3[nH]2)CC1 ZINC000586926050 JI Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000586926067 JI Annotated Unstable COC(=O)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926088 JI Annotated Unstable O=[N+]([O-])c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926102 JI Annotated Unstable CC(C)Oc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1Br ZINC000586926137 JI Annotated Anodyne COC(=O)c1cccc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000586926181 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1OC ZINC000586926192 JI Annotated Unstable O=C1CCc2cc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3cc2N1 ZINC000586926196 JI Annotated Unstable O=C(O)c1cc(F)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926207 JI Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000586926226 JI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)[nH]c3c2)cc1 ZINC000586926240 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000586926243 JI Annotated Unstable N#Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1C#N ZINC000586926303 JI Annotated Unstable O=[N+]([O-])c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926326 JI Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586926409 JI Annotated Anodyne COc1cccc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000586926469 JI Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926507 JI Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cccc(C#N)c3[nH]2)CC1 ZINC000586926508 JI Annotated Mild O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000586926526 JI Annotated Unstable O=C(O)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926573 JI Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(I)cnc3[nH]2)c1Cl ZINC000586926610 JI Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cccc(I)c3[nH]2)ccc1Cl ZINC000586926632 JI Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc4cn[nH]c4cc3[nH]2)CC1 ZINC000586926661 JI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2cc1OC ZINC000586926668 JI Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 ZINC000586926716 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 ZINC000586926723 JI Annotated Anodyne O=S(=O)(Cl)c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl ZINC000586926743 JI Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586926745 JI Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(I)cnc3[nH]2)c1Cl ZINC000586926825 JI Annotated Unstable N#Cc1nc(Cl)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926875 JI Annotated Unstable O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 ZINC000586926881 JI Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000586926921 JI Annotated Unstable O=C(O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586927036 JI Annotated Unstable CCc1ccc(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927132 JI Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1Cl ZINC000586927150 JI Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586927230 JI Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000586927321 JI Annotated Unstable O=C(O)c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1F ZINC000586927369 JI Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000586927407 JI Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(CCO)cc3[nH]2)c1 ZINC000586927411 JI Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cccc(I)c3[nH]2)cc1Cl ZINC000586927572 JI Annotated Unstable O=C(O)c1cc(Br)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 ZINC000586927586 JI Annotated Unstable O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586927736 JI Annotated Unstable CCc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1S(=O)(=O)Cl ZINC000586927869 JI Annotated Unstable O=C(O)c1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586927898 JI Annotated Unstable O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586928112 JI Annotated Unstable CCc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586928115 JI Annotated Unstable CS(=O)(=O)c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928164 JI Annotated Bother Cc1cc(-c2nc3c(Cl)ncc(I)c3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928199 JI Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 ZINC000586928224 JI Annotated Unstable O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 ZINC000586928274 JI Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000586928458 JI Annotated Mild CN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928495 JI Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000586928513 JI Annotated Anodyne CN(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928576 JI Annotated Mild CCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586928740 JI Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000586928750 JI Annotated Anodyne CCCCCOc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br ZINC000586928838 JI Annotated Anodyne CN(Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928839 JI Annotated Anodyne CN(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928922 JI Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000586928953 JI Annotated Anodyne CC(C)CCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586928961 JI Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 ZINC000586928977 JI Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000586929094 JI Annotated Anodyne CN(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929143 JI Annotated Anodyne CN(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929174 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000586929223 JI Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929318 JI Annotated Mild CC(C)COc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586929323 JI Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000586929463 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000586929483 JI Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586929550 JI Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929590 JI Annotated Mild CN(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929713 JI Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586929799 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(C(=O)OC)c3[nH]2)c1 ZINC000586929848 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000586929883 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000586929911 JI Annotated Anodyne CCCCOc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1Br ZINC000586929913 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000586929985 JI Annotated Bother CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)[nH]c2c1 ZINC000586930115 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OC)c(OC)cc3[nH]2)c1 ZINC000586930119 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000586930140 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000586930143 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 ZINC000586930269 JI Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000586930369 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(=O)OC)cc3[nH]2)c1 ZINC000586930521 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 ZINC000586930612 JI Annotated Anodyne CCCCCCCCOc1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2cc1Br ZINC000586930621 JI Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(C)=O)cc3[nH]2)c1 ZINC000586930624 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000586930664 JI Annotated Bother CC(C)CCOc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1Br ZINC000586930827 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2c1OC ZINC000586930864 JI Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586930919 JI Annotated Anodyne CCCCCOc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1Br ZINC000586930925 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586930974 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OC)cc(OC)c3[nH]2)c1 ZINC000586931069 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 ZINC000586931076 JI Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(S(=O)(=O)N(CC)CC)c3)nc2c1 ZINC000586931085 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000586931131 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)[nH]c2c1 ZINC000586931205 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OC)c(F)cc3[nH]2)c1 ZINC000586931216 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586931360 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586931413 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586931640 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586931690 JI Annotated Anodyne COC(=O)c1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586931782 JI Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Br ZINC000586931856 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)o1 ZINC000586931871 JI Annotated Anodyne CC(C)COc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Br ZINC000586932038 JI Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586932049 JI Annotated Reactive CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586932163 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586932177 JI Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Br ZINC000586932256 JI Annotated Anodyne CCCCOc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Br ZINC000586932277 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586932287 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586932293 JI Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(C)C ZINC000586933705 JI Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(C)C ZINC000586933706 JI Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)C ZINC000586933709 JI Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)C ZINC000586933710 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586934475 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586934477 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586934608 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586934614 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)nc2[nH]1 ZINC000586934694 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)nc2[nH]1 ZINC000586934696 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586934800 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586934806 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2c1 ZINC000586934811 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2c1 ZINC000586934812 JI Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1 ZINC000586934909 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586934927 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586934929 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586934947 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586934948 JI Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)c1 ZINC000586935035 JI Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586935076 JI Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586935088 JI Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)c1 ZINC000586935211 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)ncc2[nH]1 ZINC000586935285 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)ncc2[nH]1 ZINC000586935288 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586935415 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586935417 JI Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586935571 JI Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586935573 JI Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)c1 ZINC000586935608 JI Annotated Anodyne Cc1nc2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2cc1Br ZINC000586935630 JI Annotated Anodyne Cc1nc2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2cc1Br ZINC000586935634 JI Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586935649 JI Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586935651 JI Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586935765 JI Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586935771 JI Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000586935789 JI Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000586935791 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586935812 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586935813 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccnc(Br)c2[nH]1 ZINC000586935826 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccnc(Br)c2[nH]1 ZINC000586935827 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586935871 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586935875 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586935891 JI Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586935895 JI Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586936068 JI Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586936070 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Br)ccnc2[nH]1 ZINC000586936349 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Br)ccnc2[nH]1 ZINC000586936350 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586936408 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586936410 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586936435 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586936438 JI Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586936666 JI Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586936668 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586936834 JI Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586936835 JI Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586936864 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586936865 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586936886 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586936888 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586936937 JI Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586936938 JI Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586936961 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586936968 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000586937126 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000586937134 JI Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H](C)O)cc1 ZINC000586937171 JI Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937178 JI Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937180 JI Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H](C)O)cc1 ZINC000586937184 JI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc12 ZINC000586937214 JI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc12 ZINC000586937216 JI Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Br ZINC000586937455 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586937476 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586937479 JI Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Br ZINC000586937884 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586937944 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586937947 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586937960 JI Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586937962 JI Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586938014 JI Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586938015 JI Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cnc2[nH]1 ZINC000586938433 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cnc2[nH]1 ZINC000586938435 JI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586938445 JI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586938454 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586938474 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586938481 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc(Br)c2[nH]1 ZINC000586938630 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc(Br)c2[nH]1 ZINC000586938632 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586938652 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586938653 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 ZINC000586938676 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 ZINC000586938678 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586938722 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586938731 JI Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Br ZINC000586938918 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586939200 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586939203 JI Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586939277 JI Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586939279 JI Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586940588 JI Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586940591 JI Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940733 JI Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940878 JI Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940899 JI Annotated Clean CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941128 JI Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941201 JI Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941208 JI Annotated Bother CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cccc12 ZINC000586941221 JI Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586941337 JI Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586941338 JI Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941473 JI Annotated Bother O=S(=O)(NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941855 JI Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941885 JI Annotated Bother Nc1ccc(Oc2ccc3nc(CNS(=O)(=O)c4ccc(Br)s4)[nH]c3c2)cc1 ZINC000586942029 JI Annotated Clean O=S(=O)(NCCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942068 JI Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586942075 JI Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586942077 JI Annotated Bother O=S(=O)(NCCc1nc2cc(Br)cc(F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942101 JI Annotated Anodyne CCc1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC000586942161 JI Annotated Anodyne O=S(=O)(NCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942184 JI Annotated Anodyne Nc1ccc(-c2ccc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c3c2)cc1N ZINC000586942207 JI Annotated Anodyne O=S(=O)(NCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942277 JI Annotated Bother O=S(=O)(NCCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942302 JI Annotated Anodyne Cc1c(Br)cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1C ZINC000586942332 JI Annotated Anodyne Cc1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1C ZINC000586942359 JI Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942463 JI Annotated Anodyne O=S(=O)(NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942637 JI Annotated Reactive O=S(=O)(NCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942722 JI Annotated Anodyne Cc1cc(Br)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 ZINC000586942744 JI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586942761 JI Annotated Bother O=S(=O)(NCCc1nc2cc(F)cc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942781 JI Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)c(F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942789 JI Annotated Anodyne Cc1c(Br)ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586942822 JI Annotated Anodyne O=S(=O)(NCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(Br)s1 ZINC000586942974 JI Annotated Anodyne O=S(=O)(NCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Br)s1 ZINC000586942994 JI Annotated Anodyne Cc1cc(C)c2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc2c1 ZINC000586943055 JI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943084 JI Annotated Bother O=S(=O)(NCCc1nc2c(Cl)c(Br)cnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943088 JI Annotated Anodyne Cc1cc(Br)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943113 JI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586943218 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)s1 ZINC000586943236 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586943275 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)s1 ZINC000586943288 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586943294 JI Annotated Anodyne O=S(=O)(NCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Br)s1 ZINC000586943295 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)s1 ZINC000586943301 JI Annotated Anodyne Cc1cc(F)c2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc2c1 ZINC000586943344 JI Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Cl)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943356 JI Annotated Anodyne O=S(=O)(NCCc1nc2cccc(Cl)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943357 JI Annotated Anodyne O=S(=O)(NCCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943365 JI Annotated Anodyne Cc1ccc(C)c2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc12 ZINC000586943372 JI Annotated Anodyne C=CCc1cccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586943392 JI Annotated Mild O=S(=O)(NCCc1nc2c(Br)cnc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943450 JI Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)c(F)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943452 JI Annotated Anodyne Cc1c(F)ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586943460 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 ZINC000586943464 JI Annotated Mild N#Cc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1C(F)(F)F ZINC000586943479 JI Annotated Mild O=S(=O)(NCCc1nc2ccc(F)c(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943514 JI Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000586943596 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Cl)ncc(C)c4[nH]3)cc2)cc1 ZINC000586943606 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)cc1 ZINC000586943643 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(C)c(Br)cc4[nH]3)cc2)cc1 ZINC000586943660 JI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586943800 JI Annotated Anodyne CCCCOc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1Br ZINC000586943911 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)cc1 ZINC000586943920 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)cc1 ZINC000586943929 JI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586943991 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Cl)ncc(F)c4[nH]3)cc2)cc1 ZINC000586944006 JI Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586944028 JI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(S(=O)(=O)NCCCN5CCCC5=O)ccc4Cl)[nH]c32)n1 ZINC000586944138 JI Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 ZINC000586944143 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Cl)cc(C#N)cc4[nH]3)cc2)cc1 ZINC000586944160 JI Annotated Mild CC(C)(C)c1cccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586944237 JI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586944404 JI Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000586944471 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)cc1 ZINC000586944475 JI Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586944970 JI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)nc2c1 ZINC000586945038 JI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc2c1 ZINC000586945039 JI Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1Br ZINC000586945044 JI Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1Br ZINC000586945045 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586945050 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586945051 JI Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(F)c(F)c(F)cc4[nH]3)cc2)cc1 ZINC000586945121 JI Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586945199 JI Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586945258 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586945271 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586945272 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586945276 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586945352 JI Annotated Bother N#Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1C(F)(F)F ZINC000586945451 JI Annotated Mild Cc1nc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2cc1Br ZINC000586945509 JI Annotated Anodyne Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Br ZINC000586945535 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586945547 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000586945633 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000586945635 JI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586945640 JI Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 ZINC000586945645 JI Annotated Mild O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586945650 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 ZINC000586945775 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586945800 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586945806 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586945812 JI Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586945880 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586945886 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586945889 JI Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c21 ZINC000586945891 JI Annotated Clean Nc1ccc(-c2ccc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3c2)cc1N ZINC000586945907 JI Annotated Anodyne Cc1c(Br)ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586945931 JI Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586945958 JI Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586945964 JI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 ZINC000586946053 JI Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586946081 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586946201 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586946203 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586946211 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586946213 JI Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cc1Br ZINC000586946232 JI Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cc1Br ZINC000586946233 JI Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc12 ZINC000586946342 JI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586946348 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586946361 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586946388 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586946401 JI Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586946423 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586946433 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586946434 JI Annotated Anodyne Cc1cc(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946437 JI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946526 JI Annotated Bother O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586946539 JI Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586946540 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586946603 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586946606 JI Annotated Anodyne CCCCOc1cc2nc(CCc3ccc(S(=O)(=O)NC)cc3)[nH]c2cc1Br ZINC000586946865 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586946877 JI Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586946880 JI Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586946902 JI Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586946903 JI Annotated Bother Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)c1C ZINC000586947000 JI Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 ZINC000586947079 JI Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 ZINC000586947080 JI Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586947108 JI Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586947117 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Cl ZINC000586947140 JI Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586947232 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586947235 JI Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586947426 JI Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586947450 JI Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586947481 JI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2cc1OC ZINC000586947822 JI Annotated Bother CCOC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000586947883 JI Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586947900 JI Annotated Bother O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586948018 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586948096 JI Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586948129 JI Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(I)cnc3[nH]2)cc1 ZINC000586948145 JI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 ZINC000586948151 JI Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586948182 JI Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586948298 JI Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586948305 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586948344 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cncc(C)c3[nH]2)cc1 ZINC000586948376 JI Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586948400 JI Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br ZINC000586948410 JI Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586948445 JI Annotated Bother CC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000586948474 JI Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cnncc3[nH]2)ccc1Cl ZINC000586948492 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586948505 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(OC)c3[nH]2)cc1 ZINC000586948553 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586948570 JI Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586948574 JI Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586948764 JI Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586948767 JI Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586948773 JI Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586948799 JI Annotated Bother CC(C)COc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br ZINC000586948835 JI Annotated Clean Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2cc1[N+](=O)[O-] ZINC000586948854 JI Annotated Bother Nc1ncnc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c12 ZINC000586948956 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586949045 JI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4ccccc4NS(C)(=O)=O)[nH]c3c2)cc1 ZINC000586949078 JI Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586949120 JI Annotated Bother COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1F ZINC000586949146 JI Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586949153 JI Annotated Mild CCOC(=O)Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000586949176 JI Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586949200 JI Annotated Bother CCCCOc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br ZINC000586949207 JI Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(C)nc3[nH]2)cc1 ZINC000586949234 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(OC)cc3[nH]2)cc1 ZINC000586949260 JI Annotated Anodyne N#Cc1nc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc-2[nH]c1C#N ZINC000586949303 JI Annotated Mild CC1=C(c2ccc3[nH]c(-c4ccc(S(=O)(=O)Nc5cccc(C)c5C)cc4)nc3c2)NNC(=O)C1 ZINC000586949317 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586949326 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(C)ccnc3[nH]2)cc1 ZINC000586949331 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586949344 JI Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586949353 JI Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(O)cc3[nH]2)cc1 ZINC000586949362 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586949376 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1OC ZINC000586949435 JI Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ncc[nH]c-3n2)ccc1Cl ZINC000586949485 JI Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586949598 JI Annotated Anodyne Nc1ncc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc2n1 ZINC000586949617 JI Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586949669 JI Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(C#N)c3[nH]2)cc1 ZINC000586949709 JI Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(C)nccc3[nH]2)cc1 ZINC000586949751 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586949766 JI Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000586949785 JI Annotated Mild N#Cc1cc(Cl)c2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586949805 JI Annotated Mild Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1[N+](=O)[O-] ZINC000586949817 JI Annotated Bother O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Cl ZINC000586949827 JI Annotated Bother CC(C)COc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Br ZINC000586949828 JI Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586949832 JI Annotated Anodyne CCCCOc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Br ZINC000586949885 JI Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586949891 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949900 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc2c(c1)OCCO2 ZINC000586949941 JI Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586950026 JI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2n1 ZINC000586950042 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586950057 JI Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccccc5NS(C)(=O)=O)[nH]c4c3)o2)cc1 ZINC000586950058 JI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950120 JI Annotated Bother CS(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586950141 JI Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)c(F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950155 JI Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)cc(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950169 JI Annotated Anodyne O=S(=O)(Cc1nc2cccc(I)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950173 JI Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586950193 JI Annotated Anodyne O=S(=O)(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950394 JI Annotated Anodyne COC(=O)c1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586950514 JI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586950555 JI Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586950575 JI Annotated Anodyne O=S(=O)(Cc1nc2ccc(I)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950597 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000586950632 JI Annotated Mild Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4nc(C#N)c(C#N)[nH]c-4n3)cc2)c(C)c1C ZINC000586950663 JI Annotated Mild O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586950735 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000586950754 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000586950771 JI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(S(=O)(=O)NC5CC5)ccc4Br)[nH]c32)n1 ZINC000586950780 JI Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586950814 JI Annotated Anodyne O=S(=O)(Cc1nc2c(Br)cnc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950992 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000586951064 JI Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586951079 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000586951131 JI Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586951137 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000586951174 JI Annotated Anodyne N#Cc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1C(F)(F)F ZINC000586951181 JI Annotated Mild Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)c(C)c1C ZINC000586951187 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000586951199 JI Annotated Anodyne O=S(=O)(Cc1nc2ccc(Br)c(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951242 JI Annotated Anodyne O=S(=O)(Cc1nc2c(Cl)c(Br)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951260 JI Annotated Anodyne N#Cc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1C(F)(F)F ZINC000586951274 JI Annotated Mild O=S(=O)(Cc1nc2cc(F)cc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951333 JI Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000586951372 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000586951400 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586951414 JI Annotated Anodyne COC(=O)c1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586951425 JI Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951426 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000586951480 JI Annotated Anodyne O=S(=O)(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951483 JI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586951492 JI Annotated Bother O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586951507 JI Annotated Anodyne Nc1ccc(-c2ccc3nc(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)[nH]c3c2)cc1N ZINC000586951571 JI Annotated Anodyne O=S(=O)(Cc1nc2ccc(F)c(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951594 JI Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586951655 JI Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Cl ZINC000586951658 JI Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc(NS(C)(=O)=O)nc5C)[nH]c4c3)o2)cc1 ZINC000586951667 JI Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586951670 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 ZINC000586951702 JI Annotated Mild O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000586951734 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586951735 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(Br)cc3[nH]2)c1 ZINC000586951766 JI Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 ZINC000586951775 JI Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(S(=O)(=O)NC5CC5)ccc4Br)[nH]c3c2)cc1N ZINC000586951779 JI Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586951792 JI Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586951796 JI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586951884 JI Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000586951936 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586951949 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CC1 ZINC000586951999 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000586952020 JI Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cnccc5[nH]4)c3c2)cc1 ZINC000586952022 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586952112 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586952140 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586952277 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586952306 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000586952331 JI Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc6c(cc5[nH]4)OCO6)[nH]c23)cc1 ZINC000586952337 JI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c21 ZINC000586952377 JI Annotated Clean Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C)cc(C)c3[nH]2)cc1 ZINC000586952432 JI Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CS(=O)(=O)NC5CCC(C)CC5)[nH]c4c3)o2)cc1 ZINC000586952440 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000586952459 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586952475 JI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CS(=O)(=O)NC4CCC(C)CC4)[nH]c3c2)cc1 ZINC000586952485 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586952494 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c1 ZINC000586952551 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000586952597 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000586952608 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 ZINC000586952634 JI Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(CO)cc5[nH]4)c3c2)cc1 ZINC000586952653 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000586952669 JI Annotated Anodyne CCCCOc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1Br ZINC000586952727 JI Annotated Anodyne CC(C)COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Br ZINC000586952747 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586952801 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)CC1 ZINC000586952813 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586952818 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586952839 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586952846 JI Annotated Anodyne CCCCOc1cc2nc(C3CCN(S(=O)(=O)CCC)CC3)[nH]c2cc1Br ZINC000586952861 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000586952869 JI Annotated Anodyne COC(=O)c1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586952881 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586952904 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000586952945 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586952996 JI Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OC)ncc5[nH]4)c3c2)cc1 ZINC000586953054 JI Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(C)ccnc5[nH]4)c3c2)cc1 ZINC000586953091 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000586953266 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000586953288 JI Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586953293 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000586953357 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586953372 JI Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586953384 JI Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc6[nH]ncc6cc5[nH]4)[nH]c23)cc1 ZINC000586953399 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 ZINC000586953419 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000586953420 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586953424 JI Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000586953446 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c1 ZINC000586953478 JI Annotated Mild CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccnc(OC)c5[nH]4)c3c2)cc1 ZINC000586953512 JI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586953530 JI Annotated Bother Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000586953573 JI Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(C#N)nc(Cl)cc5[nH]4)[nH]c23)cc1 ZINC000586953633 JI Annotated Mild C=CCc1cccc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586953694 JI Annotated Mild COc1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Cl ZINC000586953792 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586953835 JI Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc6c(cc5[nH]4)OCCO6)[nH]c23)cc1 ZINC000586953856 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(I)cc2[nH]1 ZINC000586953892 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586953936 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586954034 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(I)c2[nH]1 ZINC000586954045 JI Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586954103 JI Annotated Anodyne CN(C)CCOc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586954148 JI Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(Br)ncc3[nH]2)CC1 ZINC000586954211 JI Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 ZINC000586954240 JI Annotated Anodyne N#Cc1nc(Cl)cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586954242 JI Annotated Mild O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(Br)ccnc3[nH]2)CC1 ZINC000586954248 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000586954288 JI Annotated Bother Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(I)cc4[nH]3)CC2)cc1 ZINC000586954314 JI Annotated Anodyne O=S(=O)(c1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1Cl)N1CCc2ccccc21 ZINC000586954336 JI Annotated Anodyne O=S(=O)(c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl)N1CCc2ccccc21 ZINC000586954384 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CC2)cc1 ZINC000586954396 JI Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2N)C1 ZINC000586954458 JI Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2N)C1 ZINC000586954565 JI Annotated Anodyne CC1=C(c2ccc3nc(C4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)[nH]c3c2)NNC(=O)C1 ZINC000586954637 JI Annotated Anodyne COC(=O)c1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2cc1OC ZINC000586954653 JI Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cncc(Br)c3[nH]2)CC1 ZINC000586954683 JI Annotated Anodyne COc1cc(OC)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000586954685 JI Annotated Anodyne COC(=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1OC ZINC000586954766 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000586954795 JI Annotated Bother CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Br)ccnc4[nH]3)CC2)cc1 ZINC000586954799 JI Annotated Anodyne CCCCOc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Br ZINC000586954802 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5c(cc4[nH]3)OCCCO5)CC2)cc1 ZINC000586954848 JI Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1)N1CCC1 ZINC000586954879 JI Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(Br)nc3[nH]2)CC1 ZINC000586955038 JI Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1)N1CCC1 ZINC000586955045 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cncc(Br)c4[nH]3)CC2)cc1 ZINC000586955063 JI Annotated Anodyne O=C1CCc2cc3nc(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)[nH]c3cc2N1 ZINC000586955123 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)nc4[nH]3)CC2)cc1 ZINC000586955157 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1[N+](=O)[O-] ZINC000586955186 JI Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2N)C1 ZINC000586955261 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)ncc4[nH]3)CC2)cc1 ZINC000586955277 JI Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(Br)cnc3[nH]2)CC1 ZINC000586955382 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccnc(Br)c4[nH]3)CC2)cc1 ZINC000586955566 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(OCCN(C)C)cc4[nH]3)CC2)cc1 ZINC000586955596 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)CC2)cc1 ZINC000586955599 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cnc4[nH]3)CC2)cc1 ZINC000586955760 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CC2)cc1 ZINC000586955767 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1 ZINC000586955803 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CC2)cc1 ZINC000586955882 JI Annotated Bother CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CC2)cc1 ZINC000586955894 JI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c21 ZINC000586955971 JI Annotated Clean O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1)N1CCC1 ZINC000586956084 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2c1 ZINC000586956207 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586956246 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)nc2c1 ZINC000586956254 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1[N+](=O)[O-] ZINC000586956265 JI Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586956277 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586956279 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000586956293 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586956312 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2c1 ZINC000586956333 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586956353 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586956400 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586956420 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586956421 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586956450 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586956459 JI Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586956508 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586956529 JI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586956585 JI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586956587 JI Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2cc1F ZINC000586956675 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000586956680 JI Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(CCO)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956717 JI Annotated Anodyne COc1ccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956808 JI Annotated Bother COc1cc(OC)c2[nH]c(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)nc2c1 ZINC000586956830 JI Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2c1 ZINC000586956844 JI Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956884 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586956887 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586956888 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586956895 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586956903 JI Annotated Bother COc1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957253 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957443 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957444 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957445 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957446 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957470 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957471 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957472 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957473 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000586957484 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000586957485 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000586957486 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@H]2CCCC[C@H]21 ZINC000586957487 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957517 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957518 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957519 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957520 JI Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586957535 JI Annotated Mild COC(=O)c1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586957647 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586957648 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586957650 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586957653 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586958115 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586958117 JI Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586958349 JI Annotated Anodyne O=[S@](CCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958538 JI Annotated Anodyne O=[S@@](CCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958539 JI Annotated Anodyne CCCCCOc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586958598 JI Annotated Anodyne CCCCCOc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586958599 JI Annotated Anodyne O=[S@@](CCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Br)cc1 ZINC000586958611 JI Annotated Anodyne O=[S@](CCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Br)cc1 ZINC000586958618 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000586958659 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000586958663 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000586958666 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000586958668 JI Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586958712 JI Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586958715 JI Annotated Anodyne O=[S@](CCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Br)cc1 ZINC000586958717 JI Annotated Anodyne O=[S@@](CCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Br)cc1 ZINC000586958723 JI Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)CC1CC1 ZINC000586958777 JI Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)CC1CC1 ZINC000586958780 JI Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586958847 JI Annotated Mild CC(C)(SCC(=O)O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586958993 JI Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586959336 JI Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000586959376 JI Annotated Reactive CC(C)CCOc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586959518 JI Annotated Anodyne CC(C)CCOc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586959519 JI Annotated Anodyne CC(C)(SCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)O ZINC000586959720 JI Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586959939 JI Annotated Mild COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586959961 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586959964 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586959968 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586959972 JI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959978 JI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959980 JI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959981 JI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959982 JI Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959985 JI Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959990 JI Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959992 JI Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959995 JI Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586960201 JI Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Sc5nc(N)cc(O)n5)[nH]c4c3)o2)cc1 ZINC000586960281 JI Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Sc5nc(N)cc(O)n5)[nH]c4c3)o2)cc1 ZINC000586960284 JI Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586960370 JI Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586960374 JI Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586960418 JI Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000586960465 JI Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cnnc(O)c3[nH]2)cc1 ZINC000586960551 JI Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586960582 JI Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960646 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960648 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960654 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960658 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)ccnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960783 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)ccnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960784 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)ccnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960785 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)ccnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960786 JI Annotated Anodyne O=[S@](CCCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586960894 JI Annotated Anodyne O=[S@@](CCCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586960899 JI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586961386 JI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586961387 JI Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586961419 JI Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586961424 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586961524 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586961530 JI Annotated Anodyne O=[S@](CCCc1nc2cc(I)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586961942 JI Annotated Anodyne O=[S@@](CCCc1nc2cc(I)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586961949 JI Annotated Anodyne CC1=C(c2ccc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000586961968 JI Annotated Anodyne CC1=C(c2ccc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000586961969 JI Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586962350 JI Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586962351 JI Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586962352 JI Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586962354 JI Annotated Bother C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586962404 JI Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586962407 JI Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586962490 JI Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc2N1 ZINC000586962492 JI Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc2N1 ZINC000586962495 JI Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc2N1 ZINC000586962497 JI Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc2N1 ZINC000586962498 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)ncc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962500 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)ncc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962502 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)ncc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962503 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)ncc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962504 JI Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586962541 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962542 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962544 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962545 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962547 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586962557 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586962558 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586962649 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586962651 JI Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 ZINC000586962875 JI Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(N)ncnc3[nH]2)cc1 ZINC000586962904 JI Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)ccc1Cl ZINC000586962937 JI Annotated Mild C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586963017 JI Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586963018 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c1 ZINC000586963252 JI Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl ZINC000586963514 JI Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1Cl ZINC000586963529 JI Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1Cl ZINC000586963530 JI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586963675 JI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586963676 JI Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c1 ZINC000586963781 JI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000586963915 JI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000586963916 JI Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c1 ZINC000586963948 JI Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1Cl ZINC000586964154 JI Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586964312 JI Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586964384 JI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586964428 JI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586964430 JI Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586964529 JI Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586964924 JI Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586965040 JI Annotated Bother CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586965110 JI Annotated Bother CC(C)Cn1c(SCc2nc3c(O)nc(O)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965317 JI Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586965505 JI Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4ccc(-n5cnnn5)cc4[nH]3)n2Cc2ccco2)cc1 ZINC000586965535 JI Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586965616 JI Annotated Clean CCCCNS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1 ZINC000586965706 JI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)n2C)cc1 ZINC000586965830 JI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)n2C)cc1 ZINC000586965909 JI Annotated Anodyne c1ccc(Cn2c(SCc3nc4ccc(CN5CCOCC5)cc4[nH]3)nnc2C2CC2)cc1 ZINC000586965968 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)nc-2[nH]1 ZINC000586966142 JI Annotated Anodyne CC1=C(c2ccc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000586966147 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586966175 JI Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSc3nc(O)cc(O)n3)[nH]c12 ZINC000586966787 JI Annotated Anodyne Ic1cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586966798 JI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2c(F)c1Nc1ccccc1 ZINC000586966929 JI Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1 ZINC000586967082 JI Annotated Anodyne CN1CCN(c2ccc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3c2)CC1 ZINC000586967147 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)cc1 ZINC000586967186 JI Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)n1 ZINC000586967306 JI Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1 ZINC000586967352 JI Annotated Anodyne Brc1cnc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586967417 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967462 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586967495 JI Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1OC ZINC000586967628 JI Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1OC ZINC000586967629 JI Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1OC ZINC000586967631 JI Annotated Anodyne COC(=O)c1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cn1 ZINC000586967637 JI Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1C=O ZINC000586967689 JI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(I)cnc3[nH]2)cc1Cl ZINC000586967702 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCCO4)C[C@@H](C)O1 ZINC000586967772 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCCO4)C[C@H](C)O1 ZINC000586967773 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCCO4)C[C@@H](C)O1 ZINC000586967774 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@H](C)O1 ZINC000586967790 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@@H](C)O1 ZINC000586967791 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@@H](C)O1 ZINC000586967792 JI Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2cc1OC ZINC000586967793 JI Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2cc1OC ZINC000586967794 JI Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2cc1OC ZINC000586967795 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586967820 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586967821 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)C[C@H](C)O1 ZINC000586967822 JI Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(S)nc(S)nc3[nH]2)c1C=O ZINC000586967857 JI Annotated Anodyne CC1=C(c2ccc3nc(CSc4nncn4-c4ccc(C)c(Cl)c4)[nH]c3c2)NNC(=O)C1 ZINC000586967927 JI Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1C=O ZINC000586967938 JI Annotated Anodyne COC(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000586968057 JI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1Cl ZINC000586968059 JI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1Cl ZINC000586968110 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(OCCN(C)C)cc3[nH]2)C[C@@H](C)O1 ZINC000586968124 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(OCCN(C)C)cc3[nH]2)C[C@@H](C)O1 ZINC000586968128 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(OCCN(C)C)cc3[nH]2)C[C@H](C)O1 ZINC000586968129 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1 ZINC000586968146 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C[C@H](C)O1 ZINC000586968148 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C[C@@H](C)O1 ZINC000586968149 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C[C@@H](C)O1 ZINC000586968150 JI Annotated Anodyne COC(=O)c1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968151 JI Annotated Anodyne COC(=O)c1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586968153 JI Annotated Anodyne COC(=O)c1cccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968155 JI Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc12 ZINC000586968187 JI Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1C=O ZINC000586968297 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)C[C@@H](C)O1 ZINC000586968368 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)C[C@@H](C)O1 ZINC000586968371 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)C[C@H](C)O1 ZINC000586968372 JI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1Cl ZINC000586968499 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)nc(C#N)c3[nH]2)C[C@@H](C)O1 ZINC000586968514 JI Annotated Mild C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)nc(C#N)c3[nH]2)C[C@@H](C)O1 ZINC000586968516 JI Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)nc(C#N)c3[nH]2)C[C@H](C)O1 ZINC000586968519 JI Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3nc(Br)c[nH]c-3n2)c1C=O ZINC000586968683 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586968704 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586968705 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586968708 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586968715 JI Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586968722 JI Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1OC ZINC000586968876 JI Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1OC ZINC000586968878 JI Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1OC ZINC000586968881 JI Annotated Anodyne CSCC(C)(C)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000586968889 JI Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c1 ZINC000586969082 JI Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000586969084 JI Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000586969087 JI Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586969168 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)c(C#N)cc3[nH]2)C[C@@H](C)O1 ZINC000586969258 JI Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)c(C#N)cc3[nH]2)C[C@H](C)O1 ZINC000586969259 JI Annotated Mild C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)c(C#N)cc3[nH]2)C[C@@H](C)O1 ZINC000586969260 JI Annotated Mild COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586969261 JI Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000586969262 JI Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586969263 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 ZINC000586969416 JI Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 ZINC000586969419 JI Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 ZINC000586969421 JI Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)C[C@@H](C)O1 ZINC000586969512 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)C[C@H](C)O1 ZINC000586969518 JI Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)C[C@@H](C)O1 ZINC000586969521 JI Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586969623 JI Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586969624 JI Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H](C)O1 ZINC000586969625 JI Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000586969793 JI Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000586969797 JI Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000586969800 JI Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 ZINC000586969942 JI Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 ZINC000586969944 JI Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 ZINC000586969945 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 ZINC000586970743 JI Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 ZINC000586970744 JI Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Br)C(C)(C)OC)[nH]c3c2)cc1 ZINC000586971347 JI Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Br)C(C)(C)OC)[nH]c3c2)cc1 ZINC000586971348 JI Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCCCBr)nc1-2 ZINC000586971976 JI Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@H](CSCc3ccccc3)NC(C)=O)nc2c1 ZINC000586972647 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CSCc3ccccc3)NC(C)=O)nc2c1 ZINC000586972648 JI Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000586973130 JI Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000586973131 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000586973370 JI Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586973454 JI Annotated Clean CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586973464 JI Annotated Clean CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586973503 JI Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586973504 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1OC ZINC000586973923 JI Annotated Mild COc1cc(Br)c([C@@H](N)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1OC ZINC000586973928 JI Annotated Mild COc1cc(Br)c([C@H](N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC ZINC000586973951 JI Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC ZINC000586973959 JI Annotated Bother COc1cc(Br)c([C@H](N)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1OC ZINC000586974155 JI Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1OC ZINC000586974156 JI Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(C)cc(Br)c3[nH]2)cc1OC ZINC000586974749 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C)cc(Br)c3[nH]2)cc1OC ZINC000586974751 JI Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000586974953 JI Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000586974954 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1OC ZINC000586975032 JI Annotated Mild COc1cc(Br)c([C@@H](N)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1OC ZINC000586975033 JI Annotated Mild COc1cc(Br)c([C@H](N)c2nc3cc(Br)cc(C)c3[nH]2)cc1OC ZINC000586975042 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)cc(C)c3[nH]2)cc1OC ZINC000586975043 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(Br)c(F)c3[nH]2)cc1OC ZINC000586975051 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(Br)c(F)c3[nH]2)cc1OC ZINC000586975052 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC ZINC000586975219 JI Annotated Bother COc1cc(Br)c([C@H](N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC ZINC000586975221 JI Annotated Bother COc1cc(Br)c([C@H](N)c2nc3ccc(F)c(Br)c3[nH]2)cc1OC ZINC000586975254 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(F)c(Br)c3[nH]2)cc1OC ZINC000586975255 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1OC ZINC000586975299 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1OC ZINC000586975301 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)c(F)cc3[nH]2)cc1OC ZINC000586975579 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)c(F)cc3[nH]2)cc1OC ZINC000586975580 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)cc(F)c3[nH]2)cc1OC ZINC000586975627 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)cc(F)c3[nH]2)cc1OC ZINC000586975629 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(F)cc(Br)c3[nH]2)cc1OC ZINC000586975630 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(F)cc(Br)c3[nH]2)cc1OC ZINC000586975632 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC ZINC000586975688 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC ZINC000586975690 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC ZINC000586975701 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC ZINC000586975702 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000586976005 JI Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000586976008 JI Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1OC ZINC000586976039 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1OC ZINC000586976040 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C)c(Br)cc3[nH]2)cc1OC ZINC000586976053 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C)c(Br)cc3[nH]2)cc1OC ZINC000586976054 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC ZINC000586976101 JI Annotated Clean COc1cc(Br)c([C@@H](N)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC ZINC000586976103 JI Annotated Clean CC(=O)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586976534 JI Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC ZINC000586976540 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC ZINC000586976542 JI Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2cc1[N+](=O)[O-] ZINC000586976691 JI Annotated Bother COc1cc(Br)c([C@H](N)c2nc3ccc(Br)c(C)c3[nH]2)cc1OC ZINC000586976776 JI Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(Br)c(C)c3[nH]2)cc1OC ZINC000586976779 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000586976844 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586976937 JI Annotated Bother CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(Br)c1OC ZINC000586977226 JI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(Br)c1OC ZINC000586977227 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586977371 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586977373 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000586977418 JI Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c1 ZINC000586977441 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586977464 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586977714 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cncc(Br)c2[nH]1 ZINC000586977775 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586977857 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000586978081 JI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586978110 JI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586978112 JI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(Br)c1OC ZINC000586978208 JI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(Br)c1OC ZINC000586978210 JI Annotated Anodyne CCOc1cc(/C=C\c2nc3nc(Br)c[nH]c-3n2)cc(Br)c1OC ZINC000586978222 JI Annotated Anodyne CCOc1cc(/C=C/c2nc3nc(Br)c[nH]c-3n2)cc(Br)c1OC ZINC000586978223 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586978312 JI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 ZINC000586978357 JI Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(Br)c1OC ZINC000586978370 JI Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(Br)c1OC ZINC000586978371 JI Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1OC ZINC000586978424 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586978444 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000586978460 JI Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1C ZINC000586978483 JI Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1F ZINC000586978599 JI Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586978647 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cn3nc(C)c(Br)c3C)nc2c1 ZINC000586978720 JI Annotated Anodyne Oc1nc(O)c2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2n1 ZINC000586979015 JI Annotated Mild Cc1nn(Cc2nc3c(Br)cnc(Br)c3[nH]2)c(C)c1Br ZINC000586979128 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3c(C=O)cc(Br)cc3OC)nc2c1 ZINC000586979376 JI Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1Br ZINC000586979521 JI Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586979672 JI Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586979704 JI Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000586979723 JI Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000586979927 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3[nH]nc(OCC)c3Br)nc2c1 ZINC000586979983 JI Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586980004 JI Annotated Anodyne Cc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(Br)cc1[N+](=O)[O-] ZINC000586980039 JI Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000586980054 JI Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586980062 JI Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cccc(I)c2[nH]1 ZINC000586980116 JI Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586980210 JI Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586980402 JI Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586980405 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3c(C=O)cc(Br)cc3OC)nc2c1 ZINC000586980425 JI Annotated Anodyne Cc1c(-c2nc3cc(I)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980457 JI Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2ccc(I)cc2[nH]1 ZINC000586980508 JI Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586980550 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 ZINC000586980674 JI Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 ZINC000586981014 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 ZINC000586981060 JI Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)N(C)C)ccc2[nH]1 ZINC000586981439 JI Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586983016 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586983444 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586983447 JI Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586983551 JI Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586983552 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccc(Br)cc3)NC(C)=O)nc2c1 ZINC000586983689 JI Annotated Anodyne Brc1ccc([C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)N2CCCC2)cc1 ZINC000586983694 JI Annotated Anodyne Brc1ccc([C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)N2CCCC2)cc1 ZINC000586983699 JI Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586983744 JI Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586983748 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586983777 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586983792 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586983797 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)NNC(=O)C1 ZINC000586983833 JI Annotated Anodyne CC1=C(c2ccc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)NNC(=O)C1 ZINC000586983834 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586984061 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](Cc3ccc(Br)cc3)NC(C)=O)nc2c1 ZINC000586984088 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586984114 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586984392 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586984437 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586984680 JI Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 ZINC000586984993 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 ZINC000586984994 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586985142 JI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586985144 JI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(C)c(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586985212 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(C)c(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586985214 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586985276 JI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586985381 JI Annotated Bother CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586985412 JI Annotated Bother CC(=O)N[C@@H](Cc1nc2cc(C#N)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586985597 JI Annotated Mild CC(=O)N[C@H](Cc1nc2cc(C#N)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586985598 JI Annotated Mild CC(=O)N[C@@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(Br)cc1 ZINC000586985818 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(Br)cc1 ZINC000586985819 JI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Br)cc1 ZINC000586985853 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Br)cc1 ZINC000586985854 JI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986000 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986001 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 ZINC000586986046 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 ZINC000586986047 JI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Br)cc1 ZINC000586986426 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Br)cc1 ZINC000586986428 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586986458 JI Annotated Bother CC(=O)N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586986460 JI Annotated Bother CC(=O)N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986506 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986507 JI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn(-c4cccnc4Cl)c(=O)nc3O)nc3ccc(O)c1c23 ZINC000586986538 JI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586986661 JI Annotated Bother CC(=O)N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586986662 JI Annotated Bother CC(=O)N[C@@H](Cc1nc2cc(Br)c(C)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986670 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)c(C)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986671 JI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(=O)[C@@H](n1cncn1)[C@@H]3c1ccccc1 ZINC000586986674 JI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(=O)[C@H](n1cncn1)[C@@H]3c1ccccc1 ZINC000586986678 JI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(=O)[C@H](n1cncn1)[C@H]3c1ccccc1 ZINC000586986682 JI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(=O)[C@@H](n1cncn1)[C@H]3c1ccccc1 ZINC000586986686 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586986863 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2ccc(O)c3c2c(c1CC(F)(F)F)-c1ccccc1C3=O ZINC000586987103 JI Annotated Anodyne Cn1cc(I)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586987181 JI Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](C(=O)C(F)(F)F)C1 ZINC000586987188 JI Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](C(=O)C(F)(F)F)C1 ZINC000586987190 JI Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](C(=O)C(F)(F)F)C1 ZINC000586987192 JI Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](C(=O)C(F)(F)F)C1 ZINC000586987194 JI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4C[C@@H](C(=O)O)CC4=O)c3)nc3ccc(O)c1c23 ZINC000586987448 JI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4C[C@H](C(=O)O)CC4=O)c3)nc3ccc(O)c1c23 ZINC000586987451 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2[C@@H]1C(=O)O ZINC000586987491 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2[C@H]1C(=O)O ZINC000586987494 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2[C@H]1C(=O)O ZINC000586987496 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2[C@@H]1C(=O)O ZINC000586987498 JI Annotated Anodyne CCCN1C(=O)[C@@](O)(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000586987742 JI Annotated Anodyne CCCN1C(=O)[C@](O)(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000586987745 JI Annotated Anodyne COC(=O)C(=NNc1ccccc1OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987859 JI Annotated Mild COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586987927 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586987928 JI Annotated Anodyne Cn1ncc(I)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988198 JI Annotated Anodyne Cc1nn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1I ZINC000586988299 JI Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586988360 JI Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586988361 JI Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988385 JI Annotated Anodyne CC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988387 JI Annotated Anodyne O=C(CCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)ON1C(=O)CCC1=O ZINC000586988406 JI Annotated Mild C[C@@H]1CN(C(=O)[C@@H]2Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)CCN1C(=O)OC(C)(C)C ZINC000586988420 JI Annotated Anodyne C[C@@H]1CN(C(=O)[C@H]2Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)CCN1C(=O)OC(C)(C)C ZINC000586988423 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC ZINC000586988458 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC ZINC000586988460 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC ZINC000586988462 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC ZINC000586988465 JI Annotated Anodyne O=C(N=c1nc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]s1)c1ccc(F)cc1 ZINC000586988518 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000586988676 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000586988677 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000586988678 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000586988679 JI Annotated Anodyne Cc1c(I)cnn1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988993 JI Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C)OC ZINC000586989227 JI Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)CCC(=O)N3)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989460 JI Annotated Anodyne CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H]([C@@]2(O)C(=O)Nc3ccccc32)O1 ZINC000586990587 JI Annotated Anodyne CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H]([C@@]2(O)C(=O)Nc3ccccc32)O1 ZINC000586990589 JI Annotated Anodyne CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H]([C@]2(O)C(=O)Nc3ccccc32)O1 ZINC000586990591 JI Annotated Anodyne CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H]([C@]2(O)C(=O)Nc3ccccc32)O1 ZINC000586990593 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC(C)=O ZINC000586990797 JI Annotated Anodyne COC(=O)[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H]1C(=O)OCc1ccccc1 ZINC000586992735 JI Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CC(=O)c1ccc(S(C)(=O)=O)cc1)-c1ccccc1C3=O ZINC000586992908 JI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc3ccc(O)c1c23 ZINC000586992933 JI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc3ccc(O)c1c23 ZINC000586992934 JI Annotated Anodyne COc1cc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc(OC)c1OC ZINC000586993616 JI Annotated Anodyne COC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c2[C@H]1C(=O)OCc1ccccc1)-c1ccccc1C4=O ZINC000586993693 JI Annotated Anodyne COc1cc(OC)c(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OC ZINC000586993705 JI Annotated Anodyne NS(=O)(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1Br ZINC000586993948 JI Annotated Anodyne O=C(N=c1nc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]s1)c1ccccc1 ZINC000586994389 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4nc5ccc(O)c6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)cc1 ZINC000586994427 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@H]3C2)cc1 ZINC000586994428 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4nc5ccc(O)c6c5c(c4[C@H]3C2)-c2ccccc2C6=O)cc1 ZINC000586994429 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4nc5ccc(O)c6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)cc1 ZINC000586994430 JI Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C[S@](=O)CC(=O)O ZINC000586994509 JI Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C[S@@](=O)CC(=O)O ZINC000586994510 JI Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994579 JI Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586994585 JI Annotated Anodyne O=C(O)Cc1c(-c2ccc(S(=O)(=O)Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994593 JI Annotated Unstable Cc1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994598 JI Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)CC(=O)O)cc4F)nc13)-c1ccccc1C2=O ZINC000586994893 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)ncnc2[nH]1 ZINC000586995182 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(N)c(N)cc2[nH]1 ZINC000586995228 JI Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000586995711 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(CO)cc2[nH]1 ZINC000586995742 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586995749 JI Annotated Anodyne COc1cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000586995814 JI Annotated Anodyne COc1cncc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586995876 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586995926 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586996361 JI Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586996581 JI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586996786 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586997182 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000586997256 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(N)=O)c2[nH]1 ZINC000586997295 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586997332 JI Annotated Bother COc1nccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586997337 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 ZINC000586997352 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000586997637 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 ZINC000586997812 JI Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000586997947 JI Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(Br)c[nH]c-4n3)cc2cc1Br ZINC000586997968 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998031 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998035 JI Annotated Anodyne N[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586998095 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000586998188 JI Annotated Anodyne N[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586998201 JI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586998239 JI Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(C(=O)OC)c(OC)cc4[nH]3)cc2cc1Br ZINC000586998403 JI Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cc(I)cnc3[nH]1)OCO2 ZINC000586998425 JI Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cc(I)cnc3[nH]1)OCO2 ZINC000586998426 JI Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 ZINC000586998562 JI Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2cc1Br ZINC000586998666 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3cc4c(cc3Br)OCO4)nc-2[nH]1 ZINC000586998863 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3cc4c(cc3Br)OCO4)nc-2[nH]1 ZINC000586998864 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999061 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999062 JI Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(OC)c(C(=O)OC)ccc4[nH]3)cc2cc1Br ZINC000586999071 JI Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2cc1Br ZINC000586999374 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586999446 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(Br)c2[nH]1 ZINC000586999457 JI Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 ZINC000586999470 JI Annotated Mild O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586999488 JI Annotated Anodyne Cc1nc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1Br ZINC000586999496 JI Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2cc1Br ZINC000586999497 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586999507 JI Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000586999511 JI Annotated Bother O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000586999513 JI Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000586999534 JI Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999554 JI Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(Br)cnc4NCc4ccccc4)nc3cc2N1 ZINC000586999560 JI Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 ZINC000586999724 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586999784 JI Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 ZINC000586999814 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586999875 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586999879 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587000043 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587000080 JI Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000587000114 JI Annotated Anodyne Cc1c(Br)cnc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 ZINC000587000137 JI Annotated Anodyne Cc1c(Br)ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587000139 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)nc-2[nH]1 ZINC000587000149 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)nc-2[nH]1 ZINC000587000150 JI Annotated Anodyne Brc1cc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc2c1OCCO2 ZINC000587000198 JI Annotated Anodyne Brc1cc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc2c1OCCO2 ZINC000587000200 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587000210 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587000224 JI Annotated Anodyne Cc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587000251 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587000260 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Br)cc2[nH]1 ZINC000587000261 JI Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587000283 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587000348 JI Annotated Anodyne CN1CCN(c2ccc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)CC1 ZINC000587000578 JI Annotated Anodyne CN1CCN(c2ccc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)CC1 ZINC000587000579 JI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587000626 JI Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2cc1Br ZINC000587000676 JI Annotated Bother O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(I)ccc2[nH]1 ZINC000587000750 JI Annotated Anodyne Cc1cc(Br)cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587000774 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587000777 JI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587000786 JI Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(Br)cnc(Br)c3[nH]2)n1 ZINC000587000877 JI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587001136 JI Annotated Anodyne N#Cc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1C(F)(F)F ZINC000587001204 JI Annotated Mild CN(C)S(=O)(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000587001210 JI Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(I)cccc2[nH]1 ZINC000587001270 JI Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000587001315 JI Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(C5=C(C)CC(=O)NN5)ccc4[nH]3)cc2cc1Br ZINC000587001353 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587001375 JI Annotated Anodyne Cc1cc(Br)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 ZINC000587001392 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587001426 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3nn(CC)cc3Br)nc2c1 ZINC000587001450 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001659 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001662 JI Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)NNC(=O)C1 ZINC000587001674 JI Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)NNC(=O)C1 ZINC000587001677 JI Annotated Anodyne Nc1ccc(-c2ccc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3c2)cc1N ZINC000587001730 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001769 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001772 JI Annotated Anodyne O=C1C[C@@H](Cc2nc3c(F)cnc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001916 JI Annotated Anodyne O=C1C[C@H](Cc2nc3c(F)cnc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001917 JI Annotated Anodyne O=C1C[C@@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c2c(Br)cccc2O1 ZINC000587001990 JI Annotated Anodyne O=C1C[C@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c2c(Br)cccc2O1 ZINC000587001991 JI Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 ZINC000587001992 JI Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 ZINC000587001994 JI Annotated Anodyne O=S(=O)(c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1)C(F)(F)F ZINC000587002260 JI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(I)cnc2[nH]1 ZINC000587002346 JI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587002368 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587002470 JI Annotated Anodyne Brc1cc(/C=C/c2nc3cc(I)cnc3[nH]2)cc2c1OCCO2 ZINC000587002505 JI Annotated Anodyne Brc1cc(/C=C\c2nc3cc(I)cnc3[nH]2)cc2c1OCCO2 ZINC000587002507 JI Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002931 JI Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002933 JI Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(Br)c(O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002967 JI Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(Br)c(O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002974 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587002988 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587002990 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587003665 JI Annotated Bother N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587003794 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587003797 JI Annotated Anodyne O=C1C[C@H](Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2c(Br)cccc2O1 ZINC000587004074 JI Annotated Anodyne O=C1C[C@@H](Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2c(Br)cccc2O1 ZINC000587004077 JI Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587004137 JI Annotated Bother Cc1cc2c(Br)ccc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c2o1 ZINC000587004270 JI Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004290 JI Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004294 JI Annotated Anodyne Cc1nc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2cc1Br ZINC000587004833 JI Annotated Anodyne Cc1nc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2cc1Br ZINC000587004834 JI Annotated Anodyne CC(C)n1c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc(Br)c1Br ZINC000587004912 JI Annotated Anodyne CC(C)n1c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc(Br)c1Br ZINC000587004953 JI Annotated Anodyne CC(C)n1c(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc(Br)c1Br ZINC000587004975 JI Annotated Anodyne CC(C)n1c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc(Br)c1Br ZINC000587005084 JI Annotated Anodyne Clc1cnc(Br)c(-c2nc3c(I)cnc(Cl)c3[nH]2)n1 ZINC000587005165 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nc(Cl)cnc4Br)[nH]c3c2)cc1 ZINC000587005190 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005245 JI Annotated Anodyne CCCn1cnc2cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc(Br)c21 ZINC000587005269 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005481 JI Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc(Br)c21 ZINC000587005526 JI Annotated Anodyne CC(C)n1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc(Br)c1Br ZINC000587005537 JI Annotated Anodyne Clc1cnc(Br)c(-c2nc3c(Br)cnc(Br)c3[nH]2)n1 ZINC000587005914 JI Annotated Anodyne O=c1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587005973 JI Annotated Bother O=c1c(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006017 JI Annotated Anodyne O=c1c(-c2nc3nccc(Br)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006206 JI Annotated Anodyne Clc1ncc(I)c2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587006212 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006449 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnn5cccc(Br)c45)[nH]c3c2)cc1 ZINC000587006450 JI Annotated Anodyne O=c1c(-c2nc3ncc(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006464 JI Annotated Anodyne O=c1c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006686 JI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587006697 JI Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587006698 JI Annotated Anodyne O=c1c(-c2nc3c(Br)ncc(F)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006736 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006803 JI Annotated Anodyne O=c1c(-c2nc3cnc(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006809 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587006829 JI Annotated Anodyne O=C(Nc1ccc(Cc2nc3nc(Br)c[nH]c-3n2)cc1)c1ccc(Br)o1 ZINC000587006832 JI Annotated Anodyne O=c1c(-c2nc3c(Br)nccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006836 JI Annotated Anodyne O=c1c(-c2nc3c(Br)cncc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006869 JI Annotated Anodyne Clc1ncc(I)c2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007027 JI Annotated Anodyne O=c1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Br)cn1Cc1ccccc1 ZINC000587007071 JI Annotated Anodyne O=C1COc2cc3[nH]c(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)nc3cc2N1 ZINC000587007238 JI Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007347 JI Annotated Anodyne O=c1c(-c2nc3nc(Br)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007488 JI Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587007654 JI Annotated Anodyne CS(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587008306 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cccn5c(Br)cnc45)nc3c2)cc1 ZINC000587008327 JI Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587008481 JI Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008842 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](Cl)CCl)nc1-2 ZINC000587008954 JI Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](Cl)CCl)nc1-2 ZINC000587008955 JI Annotated Reactive Nc1nccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009971 JI Annotated Anodyne Nc1nccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009972 JI Annotated Anodyne Nc1nccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009973 JI Annotated Anodyne Nc1nccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009975 JI Annotated Anodyne Cc1nc(C)c(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)s1 ZINC000587011211 JI Annotated Anodyne Nc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1N ZINC000587011511 JI Annotated Anodyne Nc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1N ZINC000587011524 JI Annotated Anodyne Nc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1N ZINC000587011527 JI Annotated Anodyne Nc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1N ZINC000587011528 JI Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccnc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011937 JI Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccnc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011941 JI Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccnc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011944 JI Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccnc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011945 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cs2)cc1 ZINC000587012171 JI Annotated Anodyne Nc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cn1 ZINC000587012348 JI Annotated Anodyne Nc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cn1 ZINC000587012351 JI Annotated Anodyne Nc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cn1 ZINC000587012356 JI Annotated Anodyne Nc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cn1 ZINC000587012359 JI Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587012398 JI Annotated Anodyne Nc1ccnc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587012771 JI Annotated Anodyne Nc1ccnc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587012772 JI Annotated Anodyne Nc1ccnc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587012773 JI Annotated Anodyne Nc1ccnc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587012774 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587012850 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587013439 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(O)nc(S)nc4[nH]3)cs2)cc1 ZINC000587013751 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cs2)cc1 ZINC000587013886 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cs1 ZINC000587013919 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cs1 ZINC000587013921 JI Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cs2)cc1 ZINC000587014117 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1 ZINC000587014455 JI Annotated Bother CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(I)c3[nH]2)cs1 ZINC000587014501 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cs1 ZINC000587014569 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1 ZINC000587014612 JI Annotated Bother CC(C)(C)OC(=O)NCc1nc(-c2nc3c(I)cnc(Cl)c3[nH]2)cs1 ZINC000587014650 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cs2)cc1 ZINC000587014823 JI Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587014825 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(I)cc3[nH]2)cs1 ZINC000587014826 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016118 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016119 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3csc(Nc4cccc5ncccc45)n3)nc-2[nH]1 ZINC000587016514 JI Annotated Anodyne CC1=C(c2ccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3c2)NNC(=O)C1 ZINC000587016617 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587016674 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587016820 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587017036 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3c2)cc1 ZINC000587017278 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3c2)cc1 ZINC000587017279 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587018167 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587018379 JI Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1)C(F)(F)F ZINC000587018479 JI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc1-2 ZINC000587018482 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2[nH]1 ZINC000587018573 JI Annotated Anodyne Ic1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018592 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 ZINC000587018891 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018907 JI Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cs1)c1cccc(O)c1 ZINC000587018914 JI Annotated Clean O=C(Nc1nc(Cc2nc3cccc(I)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019089 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cs1 ZINC000587019130 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cs1 ZINC000587019167 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587019170 JI Annotated Anodyne CC1=C(c2ccc3nc(Cc4csc(NC(=O)Nc5ccccc5)n4)[nH]c3c2)NNC(=O)C1 ZINC000587019190 JI Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019217 JI Annotated Bother Nc1ccc(-c2ccc3nc(Cc4csc(NC(=O)c5cccc(O)c5)n4)[nH]c3c2)cc1N ZINC000587019330 JI Annotated Anodyne O=S(=O)(O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587019361 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019401 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 ZINC000587019436 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019482 JI Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(I)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019572 JI Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019637 JI Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(I)cnc3[nH]2)cs1 ZINC000587019651 JI Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cs1 ZINC000587019796 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cs1 ZINC000587019822 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2c1 ZINC000587019862 JI Annotated Mild O=C(Nc1nc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019905 JI Annotated Bother O=C(Nc1nc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019941 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2c1 ZINC000587019949 JI Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cs1)c1cccs1 ZINC000587019955 JI Annotated Anodyne O=C(Nc1nc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020094 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587020233 JI Annotated Anodyne Nc1nc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cs1 ZINC000587020761 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587022997 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Br)ccc(Br)c3[nH]2)s1 ZINC000587023425 JI Annotated Anodyne O=C(CCc1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023451 JI Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c3c2)cc1 ZINC000587023462 JI Annotated Clean CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)s1 ZINC000587023477 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587023506 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)c(Br)cc3[nH]2)s1 ZINC000587023513 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587023646 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cnc(Cl)s3)nc1-2 ZINC000587023682 JI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4nnc(NC(=O)OC(C)(C)C)s4)[nH]c3c2)cc1 ZINC000587023781 JI Annotated Anodyne O=C(CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023785 JI Annotated Anodyne Cc1c(Br)cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1C ZINC000587023791 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)s1 ZINC000587024053 JI Annotated Anodyne O=C(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024158 JI Annotated Bother COC(=O)c1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587024306 JI Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024335 JI Annotated Anodyne CCCOc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br ZINC000587024349 JI Annotated Anodyne CC(C)Oc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br ZINC000587024367 JI Annotated Anodyne O=C(CCc1nc2cc(Cl)cc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024392 JI Annotated Anodyne O=C(CCc1nc2cc(Br)cc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024398 JI Annotated Anodyne N[C@@H](c1ccsc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587024518 JI Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587024522 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1OC ZINC000587024615 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1OC ZINC000587024620 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1OC ZINC000587024621 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1OC ZINC000587024622 JI Annotated Anodyne O=C(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024890 JI Annotated Bother CN1CCN(c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)CC1 ZINC000587024897 JI Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)CC1 ZINC000587024898 JI Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)CC1 ZINC000587024899 JI Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)CC1 ZINC000587024900 JI Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025637 JI Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025856 JI Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587026024 JI Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587026031 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1OC ZINC000587026993 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1OC ZINC000587026996 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1OC ZINC000587026998 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1OC ZINC000587026999 JI Annotated Anodyne Cc1ncsc1CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587028031 JI Annotated Anodyne O=C(NCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1cscn1 ZINC000587028157 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028420 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028421 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028422 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028423 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)NNC(=O)C1 ZINC000587028705 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)NNC(=O)C1 ZINC000587028706 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)NNC(=O)C1 ZINC000587028707 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)NNC(=O)C1 ZINC000587028708 JI Annotated Anodyne Cc1c(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029083 JI Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587029142 JI Annotated Anodyne Cc1c(-c2nc3c(Cl)ncc(I)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029356 JI Annotated Anodyne Cc1c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)sc2c1C(=O)N1CCC=C1N2 ZINC000587030005 JI Annotated Clean COC(=O)c1cc(Br)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 ZINC000587030133 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1OC ZINC000587030240 JI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1OC ZINC000587030241 JI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1OC ZINC000587030242 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1OC ZINC000587030243 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc4c3CCOC4)nc1-2 ZINC000587031558 JI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3nc(Br)c[nH]c-3n1)N2 ZINC000587031718 JI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3nc(Br)c[nH]c-3n1)N2 ZINC000587031723 JI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3nc(Br)c[nH]c-3n1)N2 ZINC000587031725 JI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3nc(Br)c[nH]c-3n1)N2 ZINC000587031728 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 ZINC000587032250 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2cc1OC ZINC000587032358 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2cc1OC ZINC000587032360 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2cc1OC ZINC000587032446 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2cc1OC ZINC000587032447 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)NNC(=O)C1 ZINC000587032522 JI Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)NNC(=O)C1 ZINC000587032525 JI Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)NNC(=O)C1 ZINC000587032527 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)NNC(=O)C1 ZINC000587032529 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 ZINC000587032532 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc(COCC(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)[nH]c2c1 ZINC000587032778 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc([N+](=O)[O-])c4[nH]3)ccc2s1 ZINC000587032870 JI Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)ccc2s1 ZINC000587032907 JI Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5c(cc4[nH]3)OCCCO5)ccc2s1 ZINC000587033215 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033261 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033263 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033265 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033267 JI Annotated Anodyne CCOC(=O)c1ccc2nc(COCC(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)[nH]c2c1 ZINC000587033744 JI Annotated Anodyne O=C(NCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034261 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(F)cnc(Cl)c4[nH]3)ccc2s1 ZINC000587034678 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(C)=O)cc4[nH]3)ccc2s1 ZINC000587034690 JI Annotated Anodyne O=C(NCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034733 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)ncc4[nH]3)ccc2s1 ZINC000587034786 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2C1 ZINC000587035002 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C)cnc(Cl)c4[nH]3)ccc2s1 ZINC000587035052 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587035238 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587035239 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(OCCN(C)C)cc4[nH]3)ccc2s1 ZINC000587035257 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)ccc2s1 ZINC000587035297 JI Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cncc(Br)c4[nH]3)ccc2s1 ZINC000587035355 JI Annotated Anodyne CC1=C(c2ccc3nc(-c4csc5c4CN(C(=O)OC(C)(C)C)CC5)[nH]c3c2)NNC(=O)C1 ZINC000587035366 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Br)nc4[nH]3)ccc2s1 ZINC000587035449 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Br)ccnc4[nH]3)ccc2s1 ZINC000587035485 JI Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587035495 JI Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587035497 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccnc(Br)c4[nH]3)ccc2s1 ZINC000587035583 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(-n5cccn5)c(F)cc4[nH]3)ccc2s1 ZINC000587035634 JI Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)nc(C#N)c4[nH]3)ccc2s1 ZINC000587035701 JI Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3c2)cc1 ZINC000587035829 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c3c2)cc1 ZINC000587035831 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(Br)cnc(Cl)c4[nH]3)cc12 ZINC000587036815 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(Br)cnc(Cl)c4[nH]3)cc12 ZINC000587036816 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(Br)cnc(Br)c4[nH]3)cc12 ZINC000587036893 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(Br)cnc(Br)c4[nH]3)cc12 ZINC000587036897 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc12 ZINC000587037001 JI Annotated Clean Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc12 ZINC000587037002 JI Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 ZINC000587037154 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 ZINC000587037157 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587037177 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(Cl)c(Br)cnc4[nH]3)cc12 ZINC000587037365 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(Cl)c(Br)cnc4[nH]3)cc12 ZINC000587037367 JI Annotated Anodyne N#Cc1nc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2nc1C#N ZINC000587037431 JI Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nc(N)nc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037450 JI Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nc(N)nc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037453 JI Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(S(N)(=O)=O)c5[nH]4)c23)cc1 ZINC000587037746 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)c(F)c(F)c4[nH]3)cc12 ZINC000587037803 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)c(F)c(F)c4[nH]3)cc12 ZINC000587037813 JI Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C1=O ZINC000587037932 JI Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C1=O ZINC000587037933 JI Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587037974 JI Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)C1=O ZINC000587038262 JI Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)C1=O ZINC000587038263 JI Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc12 ZINC000587038349 JI Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc12 ZINC000587038350 JI Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C1=O ZINC000587038398 JI Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C1=O ZINC000587038400 JI Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587038789 JI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587038983 JI Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)C1=O ZINC000587039137 JI Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)C1=O ZINC000587039143 JI Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nc(O)nc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039233 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587039235 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587039237 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587039239 JI Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nc(O)nc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039240 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587039241 JI Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C1=O ZINC000587039592 JI Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C1=O ZINC000587039594 JI Annotated Mild Brc1cnc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587039752 JI Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587039753 JI Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587039754 JI Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587039755 JI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587040228 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587040281 JI Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(N)(=O)=O)cc5[nH]4)c23)cc1 ZINC000587040377 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587040692 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1 ZINC000587040744 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1 ZINC000587040747 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587040760 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587040761 JI Annotated Anodyne O=C(c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587040871 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587041346 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587041347 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CSCN4C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587041594 JI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(I)cc2[nH]1 ZINC000587042021 JI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(I)cc2[nH]1 ZINC000587042022 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(I)cc3[nH]2)cc1 ZINC000587042190 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(I)cc3[nH]2)cc1 ZINC000587042192 JI Annotated Anodyne Clc1ncc(I)c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042337 JI Annotated Anodyne Clc1ncc(I)c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042338 JI Annotated Anodyne Clc1ncc(I)c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042339 JI Annotated Anodyne Clc1ncc(I)c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042340 JI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587042460 JI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587042461 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)cc1 ZINC000587042643 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)cc1 ZINC000587042644 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)cc1 ZINC000587042645 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)cc1 ZINC000587042646 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000587042978 JI Annotated Mild CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000587042981 JI Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587043425 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587043427 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(I)c3[nH]2)cc1 ZINC000587043472 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(I)c3[nH]2)cc1 ZINC000587043473 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587043863 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587043866 JI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(I)c2[nH]1 ZINC000587043870 JI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(I)c2[nH]1 ZINC000587043871 JI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587043900 JI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587043902 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587043994 JI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587043995 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c3c2)cc1 ZINC000587044557 JI Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1)N1CCOCC1 ZINC000587047825 JI Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1)N1CCOCC1 ZINC000587047826 JI Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1)N1CCOCC1 ZINC000587047827 JI Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1)N1CCOCC1 ZINC000587047828 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587047855 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587047864 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587047953 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587047955 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 ZINC000587047962 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 ZINC000587047965 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1 ZINC000587048243 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1 ZINC000587048244 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 ZINC000587048902 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 ZINC000587048903 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587048918 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587048919 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587050162 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1 ZINC000587050267 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587050278 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587050282 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587050569 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 ZINC000587050671 JI Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c2)c1 ZINC000587051261 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 ZINC000587051342 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 ZINC000587051347 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587051357 JI Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587051359 JI Annotated Anodyne O=c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052587 JI Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(I)cnc2[nH]1 ZINC000587053046 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(I)cnc2[nH]1 ZINC000587053047 JI Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587053057 JI Annotated Bother CCOC(=O)Cc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587053058 JI Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587053482 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587053484 JI Annotated Bother COC(=O)c1cc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1OC ZINC000587053841 JI Annotated Bother COC(=O)c1cc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1OC ZINC000587053848 JI Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587053882 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587053885 JI Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587053947 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587053954 JI Annotated Bother CC1=C(c2ccc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587054091 JI Annotated Bother CC1=C(c2ccc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587054093 JI Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc(Br)c2[nH]1 ZINC000587054709 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc(Br)c2[nH]1 ZINC000587054713 JI Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587054951 JI Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)nc2[nH]1 ZINC000587055244 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)nc2[nH]1 ZINC000587055245 JI Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587055262 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587055268 JI Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(O)ncnc2[nH]1 ZINC000587055403 JI Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccnc(Br)c2[nH]1 ZINC000587055907 JI Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccnc(Br)c2[nH]1 ZINC000587055909 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)ccnc2[nH]1 ZINC000587055949 JI Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)ccnc2[nH]1 ZINC000587055951 JI Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587056196 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(N)ncnc2[nH]1 ZINC000587056684 JI Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cnc2[nH]1 ZINC000587056688 JI Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cnc2[nH]1 ZINC000587056691 JI Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cnnc(O)c2[nH]1 ZINC000587057072 JI Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl ZINC000587057590 JI Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl ZINC000587057600 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1OC ZINC000587057940 JI Annotated Bother COC(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1OC ZINC000587057943 JI Annotated Bother CCS(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587058003 JI Annotated Bother CCS(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587058010 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587059651 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587059652 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 ZINC000587059833 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cnc(N)nc3-c3ccccc3Cl)nc2c1 ZINC000587060654 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccnc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060698 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cncc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060791 JI Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(I)cnc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060809 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H]1c1ccccc1Cl ZINC000587061057 JI Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061142 JI Annotated Anodyne Cc1cc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061589 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)cnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061952 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)ncc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062055 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c2c1 ZINC000587062396 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062584 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@H]1c1ccccc1Cl ZINC000587062603 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Br)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062609 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(Br)ccnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062619 JI Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H]1c1ccccc1Cl ZINC000587062641 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@H]1c1ccccc1Cl ZINC000587062653 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062698 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063045 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063081 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063131 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063399 JI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c2c1 ZINC000587063429 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c2c1 ZINC000587063560 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(OCCN(C)C)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063608 JI Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063616 JI Annotated Bother O=c1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1CCOc1ccccc1Cl ZINC000587064343 JI Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 ZINC000587064345 JI Annotated Anodyne O=c1cccc(-c2nc3c(Br)ncc(F)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064536 JI Annotated Anodyne O=c1cccc(-c2nc3ncc(I)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064838 JI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587065560 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3c(C=O)cc(Cl)cc3OC)nc2c1 ZINC000587065808 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3ncccc3Cl)nc12 ZINC000587065814 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587069349 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587069351 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](CN)Cc4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000587069920 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CN)Cc4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000587069923 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070862 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070869 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587070888 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587070893 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 ZINC000587071446 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 ZINC000587071449 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587073081 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587073183 JI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587073197 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587073211 JI Annotated Anodyne Cc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073312 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1 ZINC000587073653 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587074466 JI Annotated Reactive O=S(=O)(c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1)C(F)(F)F ZINC000587075067 JI Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4cc(I)cnc4[nH]3)o2)cc1 ZINC000587075144 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587075333 JI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)nn2)cc1 ZINC000587076023 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587076201 JI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)nn2)cc1 ZINC000587076379 JI Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4c(I)cnc(Cl)c4[nH]3)ON2)cc1 ZINC000587077719 JI Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4c(I)cnc(Cl)c4[nH]3)ON2)cc1 ZINC000587077722 JI Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(Cl)cc12 ZINC000587078260 JI Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(Cl)cc12 ZINC000587078261 JI Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c(Cl)cc12 ZINC000587078475 JI Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c(Cl)cc12 ZINC000587078476 JI Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(-n5cnnn5)cc4[nH]3)c(Cl)cc12 ZINC000587078532 JI Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(-n5cnnn5)cc4[nH]3)c(Cl)cc12 ZINC000587078533 JI Annotated Anodyne Cc1onc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078734 JI Annotated Bother Cc1onc(-c2nc3c(Br)cc(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078898 JI Annotated Bother Cc1cc(Br)c2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2c1 ZINC000587078917 JI Annotated Bother Cc1onc(-c2nc3c(F)cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079077 JI Annotated Bother Cc1onc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079078 JI Annotated Bother Cc1onc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079096 JI Annotated Bother Cc1onc(-c2nc3c(C)cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079325 JI Annotated Bother Cc1onc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079394 JI Annotated Bother Cc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Br ZINC000587079540 JI Annotated Bother Cc1onc(-c2nc3c(C)c(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079541 JI Annotated Bother Cc1onc(-c2nc3c(Br)c(F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079576 JI Annotated Bother Cc1onc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079613 JI Annotated Clean Cc1onc(-c2nc3ncc(Br)c(Cl)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079940 JI Annotated Bother Cc1onc(-c2nc3c(Cl)ncc(Br)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079950 JI Annotated Bother Cc1onc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079984 JI Annotated Mild Cc1onc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080275 JI Annotated Bother Cc1onc(-c2nc3c(F)c(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080319 JI Annotated Bother O=C(CCCc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(Cl)cn1 ZINC000587080501 JI Annotated Anodyne Cc1onc(-c2nc3cc(F)c(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080721 JI Annotated Bother O=S(=O)(c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1)N1CCOCC1 ZINC000587080729 JI Annotated Clean Cc1onc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080793 JI Annotated Bother Cc1onc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587081045 JI Annotated Bother Clc1cnn(COc2cccc(-c3nc4cc(I)cnc4[nH]3)c2)c1 ZINC000587082106 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3c2)cc1 ZINC000587084401 JI Annotated Anodyne Clc1nccnc1N1CCC(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 ZINC000587084691 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085040 JI Annotated Anodyne Clc1nccnc1N1CCC(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000587085498 JI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587086499 JI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2c1 ZINC000587086515 JI Annotated Mild FC(Br)(Br)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587086552 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2c1 ZINC000587086553 JI Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2c1 ZINC000587086675 JI Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587086679 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587086905 JI Annotated Anodyne Cc1nc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2cc1Br ZINC000587086931 JI Annotated Mild Cc1c(Br)cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc12 ZINC000587086936 JI Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Cl)ncnc5[nH]4)(C3)C1)C2 ZINC000587087040 JI Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5nc(Cl)c[nH]c-5n4)(C3)C1)C2 ZINC000587087212 JI Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(CO)cc5[nH]4)(C3)C1)C2 ZINC000587087248 JI Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cncc([N+](=O)[O-])c5[nH]4)(C3)C1)C2 ZINC000587087251 JI Annotated Bother O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587087362 JI Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587087482 JI Annotated Mild FC(Br)(Br)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587087492 JI Annotated Anodyne COC(=O)c1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cn1 ZINC000587087636 JI Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587087637 JI Annotated Mild COc1nccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087663 JI Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cnc(Cl)[nH]c-5n4)(C3)C1)C2 ZINC000587087736 JI Annotated Anodyne COc1cncc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087751 JI Annotated Anodyne NC(=O)c1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087752 JI Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587087920 JI Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587087925 JI Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587088212 JI Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587088213 JI Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587088229 JI Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587088230 JI Annotated Anodyne NC(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088245 JI Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(S)nc(S)nc5[nH]4)(C3)C1)C2 ZINC000587088272 JI Annotated Anodyne Nc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1N ZINC000587088275 JI Annotated Anodyne N=C(N)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088303 JI Annotated Anodyne COC(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2n1 ZINC000587088371 JI Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587088447 JI Annotated Anodyne COc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2n1 ZINC000587088569 JI Annotated Anodyne COC(=O)c1ccnc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc12 ZINC000587088607 JI Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(CCO)cc5[nH]4)(C3)C1)C2 ZINC000587088897 JI Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(I)cc2[nH]1 ZINC000587088913 JI Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587088995 JI Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(I)c2[nH]1 ZINC000587089127 JI Annotated Mild COc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cn1 ZINC000587089186 JI Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc([N+](=O)[O-])cnc5[nH]4)(C3)C1)C2 ZINC000587089208 JI Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c21 ZINC000587089252 JI Annotated Mild Nc1ccc(-c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c3c2)cc1N ZINC000587089627 JI Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(I)cnc2[nH]1 ZINC000587090257 JI Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C(F)(F)c3ccccn3)nc12 ZINC000587090612 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc12 ZINC000587090662 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@](F)(Cl)C(F)(F)F)nc12 ZINC000587090665 JI Annotated Anodyne COC(=O)c1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587090951 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587090973 JI Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 ZINC000587091014 JI Annotated Bother CN(C)CCOc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587091044 JI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(I)cnc(Cl)c2[nH]1)C(F)(F)F ZINC000587091064 JI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(I)cnc(Cl)c2[nH]1)C(F)(F)F ZINC000587091066 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1 ZINC000587091196 JI Annotated Anodyne COC(=O)c1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1OC ZINC000587091415 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587091423 JI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cccc(I)c2[nH]1)C(F)(F)F ZINC000587091473 JI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cccc(I)c2[nH]1)C(F)(F)F ZINC000587091475 JI Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)nn1CC(F)(F)F ZINC000587091495 JI Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 ZINC000587091638 JI Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)nn1CC(F)(F)F ZINC000587091641 JI Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 ZINC000587091682 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000587091830 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 ZINC000587091840 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 ZINC000587091841 JI Annotated Anodyne COc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1OC ZINC000587091852 JI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(F)(F)F ZINC000587091947 JI Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(F)(F)F ZINC000587091954 JI Annotated Bother CCOC(=O)Cc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587092049 JI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccn1 ZINC000587092139 JI Annotated Anodyne COC(=O)c1cccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587092152 JI Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587092153 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)nc(C#N)c3[nH]2)CC1 ZINC000587092171 JI Annotated Mild COc1cc(OC)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000587092212 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 ZINC000587092223 JI Annotated Bother COC(=O)c1cc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2cc1OC ZINC000587092282 JI Annotated Anodyne CN1CCN(c2ccc3nc(C4(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC4)[nH]c3c2)CC1 ZINC000587092290 JI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(F)(F)F ZINC000587092366 JI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(F)(F)F ZINC000587092371 JI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)cc1 ZINC000587092480 JI Annotated Bother FC(F)(F)COc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)ccn1 ZINC000587092544 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 ZINC000587092611 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1 ZINC000587092673 JI Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)nc3c2)NNC(=O)C1 ZINC000587092677 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 ZINC000587092798 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 ZINC000587092803 JI Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(Br)cnc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587092813 JI Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(Br)cnc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587092829 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@@H]3C(F)(F)F)nc1-2 ZINC000587092924 JI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(F)(F)F ZINC000587092948 JI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(F)(F)F ZINC000587092953 JI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587093044 JI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587093045 JI Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587093169 JI Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587093170 JI Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587093221 JI Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587093222 JI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(F)(F)F ZINC000587093582 JI Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(F)(F)F ZINC000587093583 JI Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccc(I)cc2[nH]1)C(F)(F)F ZINC000587093629 JI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(I)cc2[nH]1)C(F)(F)F ZINC000587093630 JI Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C(F)(F)F)n1 ZINC000587094328 JI Annotated Clean Cc1csc([C@](O)(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C(F)(F)F)n1 ZINC000587094329 JI Annotated Clean O=C(c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587094821 JI Annotated Anodyne O=C(c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587095201 JI Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1)N1CCOCC1 ZINC000587095246 JI Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4c(C)ccc5c4c(c3[C@H]2C[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000587096161 JI Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4c(C)ccc5c4c(c3[C@@H]2C[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000587096163 JI Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4c(C)ccc5c4c(c3[C@H]2C[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000587096166 JI Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4c(C)ccc5c4c(c3[C@@H]2C[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000587096168 JI Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096662 JI Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096671 JI Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096672 JI Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096673 JI Annotated Anodyne Cc1ccc2c3c(cc(-c4c(O)nc(=O)n(Cc5ccccc5)c4N)nc13)-c1ccccc1C2=O ZINC000587096745 JI Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 ZINC000587096927 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(C)ccc5c4c(c3C[C@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000587097741 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(C)ccc5c4c(c3C[C@@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000587097760 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(C)ccc5c4c(c3C[C@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000587097767 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(C)ccc5c4c(c3C[C@@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000587097771 JI Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)C[C@H]2C[C@H]1C(=O)O ZINC000587098414 JI Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)C[C@@H]2C[C@@H]1C(=O)O ZINC000587098423 JI Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)C[C@H]2C[C@@H]1C(=O)O ZINC000587098425 JI Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)C[C@@H]2C[C@H]1C(=O)O ZINC000587098427 JI Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098612 JI Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OCC)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587099287 JI Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)OCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587099288 JI Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587099289 JI Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587099290 JI Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)nc13)-c1ccccc1C2=O ZINC000587101238 JI Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)N(C)CC(=O)O)cc4)nc13)-c1ccccc1C2=O ZINC000587101332 JI Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N(S(C)(=O)=O)S(C)(=O)=O)c4)nc13)-c1ccccc1C2=O ZINC000587102024 JI Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(S(=O)(=O)NCCC(=O)O)c4)nc13)-c1ccccc1C2=O ZINC000587103323 JI Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)nc13)-c1ccccc1C2=O ZINC000587103421 JI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn(-c4cccnc4Cl)c(=O)nc3O)nc3cccc1c23 ZINC000587104299 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2[C@H]1C(=O)O ZINC000587104787 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2[C@@H]1C(=O)O ZINC000587104788 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2[C@H]1C(=O)O ZINC000587104789 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2[C@@H]1C(=O)O ZINC000587104790 JI Annotated Anodyne CC(=O)n1nc(N2C(=O)C=C(c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C2=O)c2ccccc21 ZINC000587104829 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000587105022 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000587105024 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000587105026 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000587105027 JI Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587105041 JI Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCCc1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)c(=O)n2C ZINC000587105057 JI Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCc1c(C)nc3cccc4c3c1-c1ccccc1C4=O)c(=O)n2C ZINC000587105130 JI Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105300 JI Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C)OC ZINC000587105555 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000587106002 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000587106003 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000587106004 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000587106005 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC ZINC000587106812 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC ZINC000587106817 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC ZINC000587106818 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC ZINC000587106823 JI Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587107037 JI Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587107038 JI Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587107497 JI Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587107503 JI Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107572 JI Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107576 JI Annotated Mild COc1cc(OC)c2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 ZINC000587108813 JI Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 ZINC000587108814 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587108853 JI Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587109331 JI Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587109880 JI Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110106 JI Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1)N1CCOCC1 ZINC000587110311 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110415 JI Annotated Anodyne Nc1ccnc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c12 ZINC000587110589 JI Annotated Anodyne Nc1nccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587110946 JI Annotated Anodyne O=c1c(-c2nc3c(O)nc(S)nc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111016 JI Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2n1 ZINC000587111125 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587111235 JI Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Br)cnc(Cl)c4[nH]3)n2)cc1 ZINC000587111369 JI Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587111385 JI Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587111387 JI Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587111440 JI Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587111441 JI Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587111811 JI Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587111820 JI Annotated Anodyne Fc1c(Br)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1F ZINC000587112139 JI Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Cl)c(Br)cnc4[nH]3)n2)cc1 ZINC000587112154 JI Annotated Anodyne Nc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cn1 ZINC000587112794 JI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587113001 JI Annotated Anodyne O=C(CSCc1nc2cc(I)cnc2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113297 JI Annotated Anodyne Nc1ccc(-c2ccc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3c2)cc1N ZINC000587113432 JI Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587113655 JI Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587113656 JI Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)n2)cc1 ZINC000587113808 JI Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c21 ZINC000587114368 JI Annotated Clean CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)OC)nc4[nH]3)nc2n1 ZINC000587114470 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(S)nc(S)nc4[nH]3)nc2n1 ZINC000587114500 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)nc2n1 ZINC000587114502 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114685 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114687 JI Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2)c1C(F)(F)F ZINC000587114736 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)O)cc4[nH]3)nc2n1 ZINC000587114830 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(C)(=O)=O)cc4[nH]3)nc2n1 ZINC000587114847 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114908 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114909 JI Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)c1C(F)(F)F ZINC000587115086 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)nc2n1 ZINC000587115125 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C(=O)OC)ccnc4[nH]3)nc2n1 ZINC000587115127 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(=O)OC)ncc4[nH]3)nc2n1 ZINC000587115342 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 ZINC000587115345 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cn(C)cc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587115397 JI Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)c1C(F)(F)F ZINC000587115472 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(-n5cnnn5)cc4[nH]3)nc2n1 ZINC000587115495 JI Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5c(cc4[nH]3)OCC(=O)N5)nc2n1 ZINC000587115511 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115748 JI Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3c2)NNC(=O)C1 ZINC000587115904 JI Annotated Anodyne FC(F)(F)c1cc(-c2nc3cc(I)cnc3[nH]2)c(Br)cn1 ZINC000587115912 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(C(F)(F)F)ncc3Br)nc-2[nH]1 ZINC000587115985 JI Annotated Anodyne CN1CCN(c2ccc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3c2)CC1 ZINC000587116336 JI Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C2CC2)c1Cl ZINC000587116899 JI Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587117083 JI Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587117087 JI Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(I)ccc4[nH]3)no2)n1 ZINC000587117153 JI Annotated Anodyne O=S(=O)(c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1)C(F)(F)F ZINC000587117242 JI Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587117274 JI Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 ZINC000587117278 JI Annotated Anodyne Fc1cnc(Br)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 ZINC000587117403 JI Annotated Anodyne CC1=C(c2ccc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3c2)NNC(=O)C1 ZINC000587117420 JI Annotated Anodyne O=C1CCc2cc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3cc2N1 ZINC000587117592 JI Annotated Bother CCOC(=O)c1cc(Br)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587117598 JI Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587117702 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587117713 JI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587117845 JI Annotated Bother O=C(O)c1cc(Br)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587117877 JI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587117923 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c(Cl)c(C(F)(F)F)nn4C)[nH]c3c2)cc1 ZINC000587117955 JI Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587118369 JI Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587118376 JI Annotated Mild FC(F)(F)c1ccn(Cc2cc(-c3nc4c(I)cccc4[nH]3)no2)n1 ZINC000587118457 JI Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118464 JI Annotated Bother FC(F)(F)c1nn(CCc2nc3ccc(I)cc3[nH]2)cc1Br ZINC000587118483 JI Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)ncc(Br)c4[nH]3)no2)n1 ZINC000587118552 JI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587118595 JI Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc21 ZINC000587118873 JI Annotated Clean O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118903 JI Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587118905 JI Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cccc(I)c3[nH]2)cc1Br ZINC000587118942 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587119018 JI Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119081 JI Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587119234 JI Annotated Reactive Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587119236 JI Annotated Reactive FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(I)cnc(Cl)c3[nH]2)n1 ZINC000587119253 JI Annotated Anodyne Cc1nc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1Br ZINC000587119439 JI Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587119444 JI Annotated Anodyne Oc1c(Br)ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119463 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587119476 JI Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)ncc(I)c4[nH]3)no2)n1 ZINC000587119491 JI Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3c2)NNC(=O)C1 ZINC000587119498 JI Annotated Bother O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587119572 JI Annotated Bother FC(F)(F)c1nn(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1Br ZINC000587119595 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587119598 JI Annotated Mild COC(=O)c1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587119837 JI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c21 ZINC000587120046 JI Annotated Clean FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nc(Br)c[nH]c-4n3)n2n1 ZINC000587120125 JI Annotated Anodyne FC(F)(F)c1nn(Cc2nc3c(I)cnc(Cl)c3[nH]2)c2c1CCCC2 ZINC000587120152 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120459 JI Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587120598 JI Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587120790 JI Annotated Mild Cc1c(Br)cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1C ZINC000587120832 JI Annotated Anodyne Cc1c(Br)ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 ZINC000587120837 JI Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587120962 JI Annotated Anodyne Oc1nncc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120979 JI Annotated Anodyne Cc1cc(Br)cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 ZINC000587121002 JI Annotated Anodyne Oc1ncnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587121029 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587121038 JI Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ncc[nH]c-4n3)nn12 ZINC000587121086 JI Annotated Anodyne Nc1ncnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587121117 JI Annotated Anodyne Cc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1Br ZINC000587121151 JI Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587121257 JI Annotated Anodyne Cc1cc(Br)c2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2c1 ZINC000587121260 JI Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587121416 JI Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587122106 JI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2N1 ZINC000587122709 JI Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587122710 JI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2N1 ZINC000587122718 JI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2N1 ZINC000587122719 JI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2N1 ZINC000587122721 JI Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123330 JI Annotated Bother O=C(c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587123571 JI Annotated Anodyne O=C(c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587123573 JI Annotated Anodyne Cc1cc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123755 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587124507 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587124508 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587124509 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587124510 JI Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)[nH]c2c1 ZINC000587125390 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3c2)cc1 ZINC000587125506 JI Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(C#N)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125845 JI Annotated Mild Cc1cc(-c2nc3c(I)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125873 JI Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126226 JI Annotated Bother O=S(=O)(c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1)N1CCOCC1 ZINC000587126244 JI Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1)N1CCOCC1 ZINC000587126250 JI Annotated Anodyne Cc1cc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126320 JI Annotated Anodyne Cc1cc(-c2nc3c(O)c(Br)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126345 JI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc2N1 ZINC000587126581 JI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc2N1 ZINC000587126583 JI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc2N1 ZINC000587126586 JI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc2N1 ZINC000587126588 JI Annotated Anodyne Cc1cc(-c2nc3c(Br)ncc(F)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126621 JI Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1Br ZINC000587126908 JI Annotated Anodyne CCCOc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1Br ZINC000587127029 JI Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)ccc(Br)c2[nH]1)C(F)(F)F ZINC000587127156 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587127311 JI Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(Br)c(Br)cc2[nH]1)C(F)(F)F ZINC000587127404 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(F)c(F)c(F)c(F)c5[nH]4)nc3n2)cn1 ZINC000587127754 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)c(F)cc5[nH]4)nc3n2)cn1 ZINC000587127758 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)nc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587127878 JI Annotated Anodyne COC(=O)c1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587127882 JI Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587127886 JI Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587127887 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)c(Cl)nc5[nH]4)nc3n2)cn1 ZINC000587127897 JI Annotated Anodyne C[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587127942 JI Annotated Anodyne C[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587127943 JI Annotated Anodyne O=C(c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587128006 JI Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587128023 JI Annotated Clean CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(Cl)c(Cl)cnc5[nH]4)nc3n2)cn1 ZINC000587128219 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Br)cc5[nH]4)nc3n2)cn1 ZINC000587128282 JI Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc6ncnn6c5C(F)F)[nH]c4c3)o2)cc1 ZINC000587128465 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(N)c(N)cc5[nH]4)c3n2)cnn1C ZINC000587128469 JI Annotated Anodyne COc1cncc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587128486 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC)c(Cl)cc5[nH]4)nc3n2)cn1 ZINC000587128507 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(S)nc(S)nc5[nH]4)c3n2)cnn1C ZINC000587128518 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(CO)cc5[nH]4)c3n2)cnn1C ZINC000587128554 JI Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587128673 JI Annotated Bother Cn1nnc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1C(F)F ZINC000587128702 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(F)c(F)c(F)c5[nH]4)nc3n2)cn1 ZINC000587128835 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)F)cnc5[nH]4)nc3n2)cn1 ZINC000587128864 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C#N)cc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587128902 JI Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)F)ncc5[nH]4)nc3n2)cn1 ZINC000587128932 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cncc([N+](=O)[O-])c5[nH]4)c3n2)cnn1C ZINC000587128938 JI Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128947 JI Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2n1 ZINC000587128951 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(Cl)cnc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587128954 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc([N+](=O)[O-])cnc5[nH]4)c3n2)cnn1C ZINC000587128980 JI Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587129335 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5nc(Cl)c[nH]c-5n4)c3n2)cnn1C ZINC000587129406 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)cc(F)c5[nH]4)nc3n2)cn1 ZINC000587129417 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc([N+](=O)[O-])c(Cl)cc5[nH]4)nc3n2)cn1 ZINC000587129476 JI Annotated Bother Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587129649 JI Annotated Bother Cn1nc(-c2nc3nc(Br)c[nH]c-3n2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129780 JI Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc12 ZINC000587129883 JI Annotated Anodyne COc1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2n1 ZINC000587129897 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(=N)N)cc5[nH]4)c3n2)cnn1C ZINC000587129907 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc6ncccc6c5[nH]4)nc3n2)cn1 ZINC000587129920 JI Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cn1 ZINC000587129944 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cnc(Cl)[nH]c-5n4)c3n2)cnn1C ZINC000587129962 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Cl)ncnc5[nH]4)c3n2)cnn1C ZINC000587130322 JI Annotated Anodyne COc1nccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587130377 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(SC)cc5[nH]4)nc3n2)cn1 ZINC000587130448 JI Annotated Anodyne Cn1nc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130457 JI Annotated Anodyne Cn1nc(-c2nc3c(S)nc(S)nc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130459 JI Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(Br)cnc(Br)c3[nH]2)CC(F)(F)C1 ZINC000587130492 JI Annotated Anodyne COC(=O)c1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cn1 ZINC000587130534 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(F)cnc5[nH]4)c3n2)cnn1C ZINC000587130557 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 ZINC000587130733 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 ZINC000587130747 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cnc6ccccc6c5[nH]4)nc3n2)cn1 ZINC000587130754 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6nc(O)[nH]c6cc5[nH]4)c3n2)cnn1C ZINC000587130821 JI Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(CCO)cc5[nH]4)c3n2)cnn1C ZINC000587130834 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 ZINC000587130862 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc6nc(C)ccc6c5[nH]4)nc3n2)cn1 ZINC000587130887 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc6c(c5[nH]4)CCCC6)nc3n2)cn1 ZINC000587130905 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(OC(C)C)cc5[nH]4)nc3n2)cn1 ZINC000587130966 JI Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(C)(C)C)nc5[nH]4)nc3n2)cn1 ZINC000587131009 JI Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131098 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587131952 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587131953 JI Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4(F)CCCCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587132038 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587132163 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587132164 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C(F)(F)C1 ZINC000587132729 JI Annotated Clean CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C(F)(F)C1 ZINC000587132730 JI Annotated Clean CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132739 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132740 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587133147 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587133148 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587133792 JI Annotated Mild CC(C)Oc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Br ZINC000587134030 JI Annotated Anodyne CC(C)COc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Br ZINC000587134084 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134363 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134368 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(F)cc(F)c3O)nc1-2 ZINC000587134382 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134390 JI Annotated Anodyne CCCCOc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Br ZINC000587134622 JI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNS(=O)(=O)c4ccc(F)c(F)c4F)[nH]c3c2)cc1 ZINC000587134641 JI Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134666 JI Annotated Anodyne O=S(=O)(NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134681 JI Annotated Anodyne CCCOc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Br ZINC000587134949 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(F)c(N)c(F)c3)nc1-2 ZINC000587135102 JI Annotated Anodyne Cc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1Cl ZINC000587136316 JI Annotated Anodyne CNc1c(F)cccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587136333 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 ZINC000587136500 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587136604 JI Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 ZINC000587136893 JI Annotated Bother Cc1c(Cl)ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587136958 JI Annotated Anodyne Cc1cc(N(C)Cc2nc3c(I)cnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136990 JI Annotated Bother Cc1cc(Cl)cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587137194 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CN(C)c4cc(C)c(F)cc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587137378 JI Annotated Bother Cc1cc(N(C)Cc2nc3c(Br)cnc(Br)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137408 JI Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 ZINC000587138228 JI Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc4ccccc4cc3[nH]2)c1F)N1CCOCC1 ZINC000587139436 JI Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587139660 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1OC ZINC000587139905 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(Br)nc2[nH]1)c1cc(F)ccc1F ZINC000587139967 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1cc(F)ccc1F ZINC000587140020 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)ncc2[nH]1)c1cc(F)ccc1F ZINC000587140036 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(Br)ccnc2[nH]1)c1cc(F)ccc1F ZINC000587140119 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1 ZINC000587140147 JI Annotated Anodyne COC(=O)c1cccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587140179 JI Annotated Anodyne COC(=O)c1cccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587140181 JI Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1F)N1CCOCC1 ZINC000587140295 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3)c1cc(F)ccc1F ZINC000587140607 JI Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2c1 ZINC000587140652 JI Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2c1 ZINC000587140653 JI Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587140675 JI Annotated Mild CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587140676 JI Annotated Mild CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587140691 JI Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587140692 JI Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587140693 JI Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587140694 JI Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587140701 JI Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587140702 JI Annotated Bother COC(=O)c1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2cc1OC ZINC000587140729 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)cnc2[nH]1)c1cc(F)ccc1F ZINC000587140789 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587140828 JI Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587141001 JI Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587141002 JI Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587141033 JI Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587141034 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cncc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587141223 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587141838 JI Annotated Anodyne COC(=O)c1ccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c1OC ZINC000587141910 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c1OC ZINC000587141911 JI Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587141930 JI Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587141931 JI Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587142159 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587142246 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587142264 JI Annotated Mild N[C@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(Br)cc1F ZINC000587142458 JI Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(Br)cc1F ZINC000587142459 JI Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F ZINC000587142601 JI Annotated Bother N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F ZINC000587142602 JI Annotated Bother COC(=O)c1cc(Br)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142835 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142836 JI Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142875 JI Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142876 JI Annotated Anodyne N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F ZINC000587143086 JI Annotated Bother N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F ZINC000587143087 JI Annotated Bother COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)cc2F)c1 ZINC000587143338 JI Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1F ZINC000587143608 JI Annotated Anodyne N#Cc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1F ZINC000587143787 JI Annotated Mild N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1F ZINC000587143969 JI Annotated Clean N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1F ZINC000587143970 JI Annotated Clean N[C@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144073 JI Annotated Anodyne N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144074 JI Annotated Anodyne N[C@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(Br)cc1F ZINC000587144077 JI Annotated Anodyne N[C@@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(Br)cc1F ZINC000587144078 JI Annotated Anodyne N[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587144496 JI Annotated Anodyne N[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587144497 JI Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(F)c1 ZINC000587144769 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(F)c(F)c3)nc1-2 ZINC000587145205 JI Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4nc(Br)c[nH]c-4n3)cc2)cc1F ZINC000587147060 JI Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 ZINC000587147419 JI Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)cc2)cc1F ZINC000587147423 JI Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c(F)c2)c1 ZINC000587147463 JI Annotated Anodyne O=C1C[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148068 JI Annotated Anodyne O=C1C[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148069 JI Annotated Anodyne O=C1C[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148084 JI Annotated Bother O=C1C[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148085 JI Annotated Bother COc1ccc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(F)c1 ZINC000587148143 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587148373 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587148375 JI Annotated Anodyne O=C1C[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149154 JI Annotated Bother O=C1C[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149155 JI Annotated Bother O=C1C[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149693 JI Annotated Anodyne O=C1C[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149694 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3ccccc3F)nc1-2 ZINC000587150885 JI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c21 ZINC000587150916 JI Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c21 ZINC000587150917 JI Annotated Clean O=S(=O)(c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587152319 JI Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587152322 JI Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cn1 ZINC000587153303 JI Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2n1 ZINC000587153433 JI Annotated Anodyne N=c1[nH]c2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587153443 JI Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(-n4cnnn4)cc3[nH]2)n1-c1ccccc1 ZINC000587153509 JI Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 ZINC000587153636 JI Annotated Anodyne O=C(COc1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)Nc1ccccc1F ZINC000587153745 JI Annotated Bother N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153752 JI Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587153753 JI Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587153754 JI Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153755 JI Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(I)cnc2[nH]1)Nc1ccccc1F ZINC000587153802 JI Annotated Anodyne Oc1nc(S)nc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 ZINC000587153831 JI Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587153995 JI Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587154144 JI Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154228 JI Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154231 JI Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154232 JI Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154411 JI Annotated Anodyne Fc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)nc1Br ZINC000587154548 JI Annotated Anodyne Cn1nc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(F)c1O ZINC000587154682 JI Annotated Bother O=C(COc1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1ccccc1F ZINC000587154883 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 ZINC000587154967 JI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587155034 JI Annotated Anodyne Fc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)nc1Br ZINC000587155093 JI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587155405 JI Annotated Anodyne CC1=C(c2ccc3nc(-c4ccccc4OCC(=O)Nc4ccccc4F)[nH]c3c2)NNC(=O)C1 ZINC000587155540 JI Annotated Anodyne COc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)nn1-c1ccccc1F ZINC000587156387 JI Annotated Anodyne COc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587156391 JI Annotated Anodyne CCCc1nc(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)nn1-c1ccccc1F ZINC000587156863 JI Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)cnc4[nH]3)o2)c1 ZINC000587156908 JI Annotated Anodyne CC1=C(c2ccc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3c2)NNC(=O)C1 ZINC000587156923 JI Annotated Anodyne CN(C)CCOc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587156932 JI Annotated Anodyne COC(=O)c1cc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2cc1OC ZINC000587156950 JI Annotated Anodyne COC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1OC ZINC000587156981 JI Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc5c(cc4[nH]3)OCCCO5)o2)c1 ZINC000587157096 JI Annotated Anodyne CCOC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157116 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1F ZINC000587157141 JI Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(CN5CCOCC5)cc4[nH]3)o2)c1 ZINC000587157147 JI Annotated Anodyne CN1CCN(c2ccc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3c2)CC1 ZINC000587157191 JI Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Br)nc4[nH]3)o2)c1 ZINC000587157229 JI Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157232 JI Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cncc(Br)c4[nH]3)o2)c1 ZINC000587157256 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ncc(Br)cc4F)[nH]c3c2)cc1 ZINC000587157400 JI Annotated Anodyne O=C1CCc2cc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3cc2N1 ZINC000587157450 JI Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2[nH]1 ZINC000587157512 JI Annotated Mild Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Br)ccnc4[nH]3)o2)c1 ZINC000587157881 JI Annotated Anodyne C[C@@]1(c2nc3c(Br)cnc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157889 JI Annotated Anodyne C[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157890 JI Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)ncc4[nH]3)o2)c1 ZINC000587158001 JI Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccnc(Br)c4[nH]3)o2)c1 ZINC000587158266 JI Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cnc(C(F)(F)F)[nH]c-4n3)o2)c1 ZINC000587158303 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587158479 JI Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587158492 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1[N+](=O)[O-] ZINC000587158539 JI Annotated Bother C[C@@]1(c2nc3c(I)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159167 JI Annotated Anodyne C[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159168 JI Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(I)cc4[nH]3)c2Cl)c1 ZINC000587160299 JI Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cccc(I)c4[nH]3)c2Cl)c1 ZINC000587160363 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(F)cc([N+](=O)[O-])c3)nc1-2 ZINC000587160442 JI Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587160479 JI Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2Cl)c1 ZINC000587160540 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 ZINC000587160620 JI Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cn2)c(Br)c1 ZINC000587160782 JI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587160969 JI Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c21 ZINC000587161829 JI Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000587162112 JI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587162168 JI Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](c4ccc(F)cc4)N(C)C)[nH]c3c2)cc1 ZINC000587163388 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](c4ccc(F)cc4)N(C)C)[nH]c3c2)cc1 ZINC000587163392 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 ZINC000587164031 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587164270 JI Annotated Anodyne O=S(=O)(c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1)N1CCOCC1 ZINC000587164311 JI Annotated Anodyne O=S(=O)(c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1)N1CCOCC1 ZINC000587164312 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587164719 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587164721 JI Annotated Anodyne O=C(c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587164769 JI Annotated Anodyne O=C(c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587164770 JI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587165157 JI Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587165492 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165534 JI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(S)nc(S)nc3[nH]2)c1C ZINC000587165565 JI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1C ZINC000587165802 JI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3nc(Br)c[nH]c-3n2)c1C ZINC000587165847 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165877 JI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(=O)OC)ncc3[nH]2)c1C ZINC000587165880 JI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1C ZINC000587166020 JI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1C ZINC000587166104 JI Annotated Anodyne CC1=C(c2ccc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3c2)NNC(=O)C1 ZINC000587166173 JI Annotated Anodyne O=S(=O)(O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166241 JI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C(=O)OC)ccnc3[nH]2)c1C ZINC000587166284 JI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(=O)OC)nc3[nH]2)c1C ZINC000587166409 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587166839 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/C(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587166956 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\C(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587166957 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1OC ZINC000587167064 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587167087 JI Annotated Bother O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587167446 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587167701 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587167750 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587168194 JI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2C2CC2)cc1 ZINC000587168336 JI Annotated Anodyne CN(C)CCOc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587168478 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cncc(Br)c2[nH]1 ZINC000587168485 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587168488 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587168489 JI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2cc1OC ZINC000587168549 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587168550 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 ZINC000587168844 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COc3ccc(F)cc3)nc1-2 ZINC000587169172 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169300 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169301 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169313 JI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169315 JI Annotated Anodyne CCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169339 JI Annotated Anodyne Cc1nc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1Br ZINC000587169392 JI Annotated Anodyne Cc1nc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1Br ZINC000587169394 JI Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CN(C)S(=O)(=O)c5ccc(F)cc5)[nH]c4c3)o2)cc1 ZINC000587169596 JI Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169622 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(F)cc1 ZINC000587169623 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(F)cc1 ZINC000587169624 JI Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587169642 JI Annotated Bother O=[N+]([O-])c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587169643 JI Annotated Bother O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169655 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169656 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1 ZINC000587169664 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1 ZINC000587169665 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(F)cc1 ZINC000587169677 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(F)cc1 ZINC000587169678 JI Annotated Anodyne CC(C)COc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169683 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169739 JI Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169740 JI Annotated Mild O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169780 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169781 JI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2cc1OC ZINC000587169814 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169939 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169940 JI Annotated Anodyne CN(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169985 JI Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170005 JI Annotated Anodyne COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587170054 JI Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cncc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170156 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1OC ZINC000587170173 JI Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(F)cc1 ZINC000587170179 JI Annotated Anodyne CN(Cc1nc2c(Br)ccc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170199 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)c1ccc(F)cc1 ZINC000587170220 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)c1ccc(F)cc1 ZINC000587170221 JI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587170254 JI Annotated Bother CCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170265 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170331 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170334 JI Annotated Anodyne CN(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170336 JI Annotated Anodyne CC(C)Oc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170434 JI Annotated Anodyne CN(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170886 JI Annotated Anodyne CN(Cc1nc2cc(Br)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170942 JI Annotated Anodyne CN(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170948 JI Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(F)cc1 ZINC000587171041 JI Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(F)cc1 ZINC000587171224 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587171343 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587171344 JI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 ZINC000587171378 JI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 ZINC000587171379 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(F)cc1 ZINC000587171391 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(F)cc1 ZINC000587171392 JI Annotated Anodyne CN(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171395 JI Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(F)cc1 ZINC000587171421 JI Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(F)cc1 ZINC000587171422 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)ncc4[nH]2)cn3C2CC2)C1 ZINC000587171962 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)ncc4[nH]2)cn3C2CC2)C1 ZINC000587171963 JI Annotated Anodyne N#Cc1cccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587171968 JI Annotated Mild N#Cc1cccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587171969 JI Annotated Mild N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5cn[nH]c5cc4[nH]2)cn3C2CC2)C1 ZINC000587171987 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5cn[nH]c5cc4[nH]2)cn3C2CC2)C1 ZINC000587171991 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cnc4[nH]2)cn3C2CC2)C1 ZINC000587172002 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cnc4[nH]2)cn3C2CC2)C1 ZINC000587172003 JI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172006 JI Annotated Mild N#Cc1nc(Cl)cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172008 JI Annotated Mild N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Cl)nc4[nH]2)cn3C2CC2)C1 ZINC000587172237 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Cl)nc4[nH]2)cn3C2CC2)C1 ZINC000587172239 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(C(=O)O)cc4[nH]2)cn3C2CC2)C1 ZINC000587172312 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(C(=O)O)cc4[nH]2)cn3C2CC2)C1 ZINC000587172313 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5c(cc4[nH]2)OCCO5)cn3C2CC2)C1 ZINC000587172333 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5c(cc4[nH]2)OCCO5)cn3C2CC2)C1 ZINC000587172334 JI Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5cn[nH]c5cc4[nH]2)cn3C2CC2)CC1 ZINC000587172354 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172361 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172362 JI Annotated Anodyne N#Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1C#N ZINC000587172491 JI Annotated Mild N#Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1C#N ZINC000587172492 JI Annotated Mild CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncc(Cl)c4[nH]2)cn3C2CC2)CC1 ZINC000587172517 JI Annotated Anodyne COc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172543 JI Annotated Anodyne COc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172544 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5c(cc4[nH]2)OCO5)cn3C2CC2)C1 ZINC000587172548 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5c(cc4[nH]2)OCO5)cn3C2CC2)C1 ZINC000587172550 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 ZINC000587172557 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172563 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172564 JI Annotated Anodyne Cc1cc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c(C)n1 ZINC000587172624 JI Annotated Anodyne Cc1cc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c(C)n1 ZINC000587172628 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([N+](=O)[O-])cc4[nH]2)cn3C2CC2)C1 ZINC000587172631 JI Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([N+](=O)[O-])cc4[nH]2)cn3C2CC2)C1 ZINC000587172632 JI Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc([N+](=O)[O-])c4[nH]2)cn3C2CC2)CC1 ZINC000587172694 JI Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(F)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172716 JI Annotated Bother COc1cc(OC)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172731 JI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172732 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 ZINC000587172765 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 ZINC000587172827 JI Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 ZINC000587172828 JI Annotated Bother C[C@@]1(c2nc3c(Br)cnc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172836 JI Annotated Anodyne C[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172837 JI Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1F ZINC000587172937 JI Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1F ZINC000587172938 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172980 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172981 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(=O)O)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173005 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(=O)O)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173006 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173013 JI Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173014 JI Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(C#N)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173030 JI Annotated Mild CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([N+](=O)[O-])cc4[nH]2)cn3C2CC2)CC1 ZINC000587173041 JI Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC)c(F)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173058 JI Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC)cc(OC)c4[nH]2)cn3C2CC2)CC1 ZINC000587173111 JI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587173137 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([C@@H](N)N=O)cc4[nH]2)cn3C2CC2)C1 ZINC000587173138 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([C@H](N)N=O)cc4[nH]2)cn3C2CC2)C1 ZINC000587173139 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([C@H](N)N=O)cc4[nH]2)cn3C2CC2)C1 ZINC000587173140 JI Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)nc(C#N)c4[nH]2)cn3C2CC2)CC1 ZINC000587173172 JI Annotated Mild N#Cc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587173211 JI Annotated Mild N#Cc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587173212 JI Annotated Mild CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(F)cnc(Cl)c4[nH]2)cn3C2CC2)CC1 ZINC000587173306 JI Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)ccnc4[nH]2)cn3C2CC2)C1 ZINC000587173426 JI Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)ccnc4[nH]2)cn3C2CC2)C1 ZINC000587173427 JI Annotated Anodyne O=c1c(-c2nc3cc(I)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173473 JI Annotated Anodyne O=c1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173652 JI Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1OC ZINC000587173661 JI Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1OC ZINC000587173662 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3Cc4cc(F)ccc4O3)nc1-2 ZINC000587174114 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3Cc4cc(F)ccc4O3)nc1-2 ZINC000587174115 JI Annotated Anodyne CCc1ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2c1 ZINC000587176604 JI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc2c1 ZINC000587176687 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3n[nH]c4c(F)cccc34)[nH]c12 ZINC000587176811 JI Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1F ZINC000587177009 JI Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2c1 ZINC000587177107 JI Annotated Anodyne Cc1cccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587177337 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Cl)nc3F)nc1-2 ZINC000587177373 JI Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177443 JI Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177463 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(Br)cnc4F)[nH]c3c2)cc1 ZINC000587177920 JI Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587177921 JI Annotated Unstable Fc1ncc(Br)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587177968 JI Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587178082 JI Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 ZINC000587178147 JI Annotated Unstable Fc1ncc(Br)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587178255 JI Annotated Anodyne Cc1ccc2nc(-c3cc(I)ccc3I)[nH]c2n1 ZINC000587178363 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178433 JI Annotated Anodyne Clc1ccnc2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587178445 JI Annotated Anodyne N#Cc1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178464 JI Annotated Mild Cc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2n1 ZINC000587178549 JI Annotated Anodyne Oc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178552 JI Annotated Anodyne Cc1cc2[nH]c(-c3cc(I)ccc3I)nc2c(C)n1 ZINC000587178591 JI Annotated Anodyne Cc1cnc2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178598 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cccc(I)c2[nH]1 ZINC000587178602 JI Annotated Anodyne Clc1cc2nc(-c3cc(I)ccc3I)[nH]c2cn1 ZINC000587178608 JI Annotated Anodyne Oc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178610 JI Annotated Anodyne Clc1cnc2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178611 JI Annotated Anodyne COc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178642 JI Annotated Anodyne Ic1ccc(I)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587178659 JI Annotated Anodyne Clc1cnc2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178661 JI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178676 JI Annotated Bother COc1cc(N)c(I)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587178683 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587178689 JI Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178708 JI Annotated Anodyne Clc1nccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178712 JI Annotated Anodyne Ic1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1I ZINC000587178720 JI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178739 JI Annotated Bother Ic1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1I ZINC000587178761 JI Annotated Anodyne Cc1nccc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178777 JI Annotated Anodyne Clc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2n1 ZINC000587178801 JI Annotated Anodyne FC(F)(F)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(I)c1 ZINC000587178807 JI Annotated Anodyne N#Cc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178833 JI Annotated Mild COc1cc(N)c(I)cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587178862 JI Annotated Anodyne Cc1cc2[nH]c(-c3ccc(I)c(I)c3)nc2c(C)n1 ZINC000587178869 JI Annotated Anodyne Ic1ccc(I)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000587178943 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587178945 JI Annotated Anodyne Cc1ccnc2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179033 JI Annotated Anodyne Oc1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179063 JI Annotated Anodyne N#Cc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1C#N ZINC000587179080 JI Annotated Mild FC(F)(F)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(I)c1 ZINC000587179083 JI Annotated Anodyne Clc1nccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179094 JI Annotated Anodyne Clc1cncc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179154 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000587179156 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)cc3I)nc2c1 ZINC000587179169 JI Annotated Anodyne COc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(I)c1 ZINC000587179215 JI Annotated Mild O=[N+]([O-])c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179259 JI Annotated Bother O=C1COc2cc3[nH]c(-c4ccc(C(F)(F)F)cc4I)nc3cc2N1 ZINC000587179278 JI Annotated Anodyne N#Cc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179319 JI Annotated Mild COc1cc(N)c(I)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587179326 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587179371 JI Annotated Anodyne Cc1cncc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179378 JI Annotated Anodyne COc1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179401 JI Annotated Anodyne Clc1ccnc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587179428 JI Annotated Anodyne Cc1cncc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179436 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587179438 JI Annotated Clean Clc1ccc2nc(-c3cc(I)ccc3I)[nH]c2n1 ZINC000587179467 JI Annotated Anodyne Cc1cnc2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179512 JI Annotated Anodyne O=C(O)c1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179538 JI Annotated Anodyne O=C(O)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179539 JI Annotated Anodyne Clc1cncc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179563 JI Annotated Anodyne Cc1nccc2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179578 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587179670 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587179729 JI Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncc(Br)c(C)c2[nH]1 ZINC000587179806 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncc(Br)c(C)c2[nH]1 ZINC000587179808 JI Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncc(I)cc2[nH]1 ZINC000587179897 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncc(I)cc2[nH]1 ZINC000587179900 JI Annotated Anodyne COc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(I)c1 ZINC000587180094 JI Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000587180131 JI Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587180273 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587180274 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587180332 JI Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587180334 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587180352 JI Annotated Bother COc1cc(N)c(I)cc1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587180434 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587180451 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587180452 JI Annotated Mild CC[C@@H](C)n1ncc(I)c1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000587180647 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000587180648 JI Annotated Anodyne COc1ccc(-c2nc3cccc(I)c3[nH]2)c(I)c1 ZINC000587180678 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587180833 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587180865 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587180947 JI Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2nc(C)c(Br)cc2[nH]1 ZINC000587180962 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(C)c(Br)cc2[nH]1 ZINC000587180963 JI Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3c(I)cnn3[C@H](C)CC)nc2c1 ZINC000587181020 JI Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3c(I)cnn3[C@@H](C)CC)nc2c1 ZINC000587181021 JI Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000587181036 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000587181037 JI Annotated Anodyne Cn1nc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(I)c1C(=O)O ZINC000587181204 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000587181254 JI Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000587181255 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587181272 JI Annotated Mild COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587181302 JI Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587181319 JI Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(C(=O)OC)cc2[nH]1 ZINC000587181554 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(C(=O)OC)cc2[nH]1 ZINC000587181555 JI Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587181641 JI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587181642 JI Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587181859 JI Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587181860 JI Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587181939 JI Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587181940 JI Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587182035 JI Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587182037 JI Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)n1 ZINC000587182248 JI Annotated Anodyne CSc1sc(-c2nc3cccnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182260 JI Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587182415 JI Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587182416 JI Annotated Bother CC1=C(c2ccc3nc(-c4cc(I)ccc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587182558 JI Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587182566 JI Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587182568 JI Annotated Bother Clc1cc(I)cc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587182663 JI Annotated Anodyne CSc1sc(-c2nc3cc(F)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182868 JI Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587182909 JI Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587182914 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(I)ccc3F)nc-2[nH]1 ZINC000587182928 JI Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1 ZINC000587182942 JI Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587183090 JI Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587183093 JI Annotated Anodyne Ic1cccc(/C=C\c2nc3cc(I)cnc3[nH]2)c1 ZINC000587183179 JI Annotated Anodyne Ic1cccc(/C=C/c2nc3cc(I)cnc3[nH]2)c1 ZINC000587183184 JI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587183256 JI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587183259 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587183271 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587183272 JI Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587183300 JI Annotated Clean Cc1c(I)cnn1[C@@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587183317 JI Annotated Clean N[C@@H](Cc1ccc(I)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587183343 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587183345 JI Annotated Anodyne CSc1sc(-c2nc3cnccc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183346 JI Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)n1 ZINC000587183435 JI Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2cccc(I)c2[nH]1 ZINC000587183593 JI Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)n1 ZINC000587183596 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(I)c2[nH]1 ZINC000587183597 JI Annotated Anodyne Clc1ccc(I)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587183617 JI Annotated Anodyne Cc1cc(Br)cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587183622 JI Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587183624 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3cccc(I)c3)nc-2[nH]1 ZINC000587183639 JI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3cccc(I)c3)nc-2[nH]1 ZINC000587183640 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587183643 JI Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587183644 JI Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587183661 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587183662 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587183744 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587183745 JI Annotated Anodyne Cc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587183838 JI Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587183839 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587183861 JI Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587183862 JI Annotated Bother CC1=C(c2ccc3nc(-c4cc(Cl)cc(I)c4)[nH]c3c2)NNC(=O)C1 ZINC000587183941 JI Annotated Anodyne CC[C@H](c1nc2ccc(I)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184105 JI Annotated Anodyne CC[C@@H](c1nc2ccc(I)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184107 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587184156 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587184157 JI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](N)Cc4ccc(I)cc4)[nH]c3c2)cc1N ZINC000587184167 JI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](N)Cc4ccc(I)cc4)[nH]c3c2)cc1N ZINC000587184168 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587184401 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587184405 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587184417 JI Annotated Clean N[C@H](Cc1ccc(I)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587184424 JI Annotated Clean N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587184430 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587184431 JI Annotated Anodyne N#Cc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1C(F)(F)F ZINC000587184437 JI Annotated Mild N#Cc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1C(F)(F)F ZINC000587184438 JI Annotated Mild N[C@H](Cc1ccc(I)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000587184440 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000587184441 JI Annotated Anodyne CC[C@H](c1nc2cc(C#N)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184487 JI Annotated Mild CC[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184488 JI Annotated Mild CC[C@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184507 JI Annotated Anodyne CC[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184509 JI Annotated Anodyne CC[C@H](c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184549 JI Annotated Anodyne CC[C@@H](c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184550 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587184697 JI Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587184698 JI Annotated Mild Clc1cc(I)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587184724 JI Annotated Anodyne Cc1c(Br)ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587184737 JI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587184738 JI Annotated Anodyne CC[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587184851 JI Annotated Anodyne CC[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587184853 JI Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3cncc(I)c3)nc12 ZINC000587184996 JI Annotated Anodyne CC[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185033 JI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cncc(I)c3)[nH]c21 ZINC000587185035 JI Annotated Clean CC[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185036 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587185110 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587185112 JI Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4cccc(I)c4)[nH]c3c2)NNC(=O)C1 ZINC000587185113 JI Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4cccc(I)c4)[nH]c3c2)NNC(=O)C1 ZINC000587185114 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587185130 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587185132 JI Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587185211 JI Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587185212 JI Annotated Anodyne CC[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 ZINC000587185257 JI Annotated Bother CC[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 ZINC000587185258 JI Annotated Bother CC[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185339 JI Annotated Anodyne CC[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185342 JI Annotated Anodyne CC[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)n1cc(I)c(C)n1 ZINC000587185646 JI Annotated Clean CC[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)n1cc(I)c(C)n1 ZINC000587185647 JI Annotated Clean Clc1ncc(Br)c2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587185804 JI Annotated Anodyne CC[C@H](c1nc2cccc(I)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185856 JI Annotated Anodyne CC[C@@H](c1nc2cccc(I)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185860 JI Annotated Anodyne CC[C@H](c1nc2cc(Br)c(C)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587185862 JI Annotated Anodyne CC[C@@H](c1nc2cc(Br)c(C)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587185866 JI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186000 JI Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186017 JI Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ncc[nH]c-4n3)c2o1 ZINC000587186019 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587186070 JI Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)n1 ZINC000587186118 JI Annotated Bother CC[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1cc(I)c(C)n1 ZINC000587186186 JI Annotated Anodyne CC[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1cc(I)c(C)n1 ZINC000587186188 JI Annotated Anodyne CC[C@H](c1nc2c(C)c(Br)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186200 JI Annotated Anodyne CC[C@@H](c1nc2c(C)c(Br)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186201 JI Annotated Anodyne COC(=O)c1cc2nc(-c3nccnc3I)[nH]c2c(F)c1Nc1ccccc1 ZINC000587186357 JI Annotated Anodyne FC(F)(F)c1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186369 JI Annotated Anodyne CCCOc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186371 JI Annotated Anodyne CC(C)COc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186375 JI Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186380 JI Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1I ZINC000587186399 JI Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cncnc4[nH]3)c2o1 ZINC000587186404 JI Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186407 JI Annotated Anodyne CC[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 ZINC000587186500 JI Annotated Bother CC[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 ZINC000587186501 JI Annotated Bother O=C(O)c1nn(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1I ZINC000587186558 JI Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cnncc4[nH]3)c2o1 ZINC000587186642 JI Annotated Anodyne N#Cc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1C(F)(F)F ZINC000587186698 JI Annotated Mild Brc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186708 JI Annotated Anodyne CC(C)Oc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186729 JI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186737 JI Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186739 JI Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 ZINC000587186812 JI Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 ZINC000587186838 JI Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3nccnc3I)nc12 ZINC000587186852 JI Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186867 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186893 JI Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587187393 JI Annotated Anodyne Fc1c(Br)ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587187536 JI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc4ncc(I)n4c3)[nH]c21 ZINC000587187872 JI Annotated Clean Nc1ccc(-c2ccc3nc(-c4ccc5ncc(I)n5c4)[nH]c3c2)cc1N ZINC000587188096 JI Annotated Anodyne Fc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1Br ZINC000587188124 JI Annotated Anodyne Fc1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1Br ZINC000587188396 JI Annotated Anodyne Ic1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587188426 JI Annotated Anodyne Fc1cc(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587188692 JI Annotated Anodyne Ic1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587188772 JI Annotated Anodyne Cc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1C#N ZINC000587188988 JI Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(CN=O)cc3)[nH]c12 ZINC000587190054 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C=NOCc3ccccc3)nc1-2 ZINC000587190737 JI Annotated Mild C#CCN(Cc1nc2nc(Br)c[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191649 JI Annotated Mild CCCCN(Cc1nc2c(O)nc(O)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192910 JI Annotated Anodyne CCCCN(Cc1nc2c(O)nc(N)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192969 JI Annotated Anodyne C#CCN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193185 JI Annotated Mild C#CCN(Cc1nc2ccc(CCO)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193196 JI Annotated Mild C#CCN(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193199 JI Annotated Mild O=C(O)CCN(CCc1nc2c(Br)cnc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193223 JI Annotated Anodyne C#CCN(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193343 JI Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 ZINC000587193383 JI Annotated Anodyne C#CCN(Cc1nc2c(C(=O)OC)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193388 JI Annotated Mild COC(=O)c1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587193459 JI Annotated Anodyne COC(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587193625 JI Annotated Anodyne CN(CCc1nc2nc(Br)c[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193778 JI Annotated Anodyne C#CCN(Cc1nc2cccc(C(N)=O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193785 JI Annotated Mild C#CCN(Cc1nc2ccc(C(=O)OC)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193846 JI Annotated Mild C#CCN(Cc1nc2cc(C(=O)OC)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193862 JI Annotated Mild C#CCN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194013 JI Annotated Mild C#CCN(Cc1nc2c(S)nc(S)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194089 JI Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587194203 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587194207 JI Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587194211 JI Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587194213 JI Annotated Anodyne CN(CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194305 JI Annotated Anodyne CN(CCc1nc2c(S)nc(S)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194388 JI Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587194431 JI Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587194459 JI Annotated Anodyne CN(CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194672 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Br)cnc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587195334 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Br)cnc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587195475 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587195914 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587195916 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587196003 JI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587196006 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C[C@H]1CCCO1 ZINC000587196648 JI Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C[C@@H]1CCCO1 ZINC000587196649 JI Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C[C@H]1CCCO1 ZINC000587196670 JI Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C[C@@H]1CCCO1 ZINC000587196673 JI Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2ccc(I)cc2[nH]1)C[C@H]1CCCO1 ZINC000587196767 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(I)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587196769 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C[C@@H]1CCCO1 ZINC000587196994 JI Annotated Clean CC(C)(C)OC(=O)N(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C[C@H]1CCCO1 ZINC000587196995 JI Annotated Clean CC(C)(C)OC(=O)N(Cc1nc2c(I)cnc(Cl)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196996 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(I)cnc(Cl)c2[nH]1)C[C@H]1CCCO1 ZINC000587196997 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(I)c2[nH]1)C[C@H]1CCCO1 ZINC000587197676 JI Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(I)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197677 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 ZINC000587198812 JI Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587198844 JI Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(I)cnc2[nH]1 ZINC000587199092 JI Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587199379 JI Annotated Anodyne CCC[C@@H](c1nc2c(O)nc(O)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199440 JI Annotated Anodyne C[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199793 JI Annotated Anodyne C[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199929 JI Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587200037 JI Annotated Anodyne CCC[C@@H](c1nc2c(O)nc(N)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200119 JI Annotated Anodyne C[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200233 JI Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200270 JI Annotated Reactive CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587200271 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587201186 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587201391 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587202415 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587202416 JI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587202672 JI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587203248 JI Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587204956 JI Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587204957 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587205587 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587205589 JI Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587206065 JI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587206068 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)C2)cc1 ZINC000587209184 JI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)nc3cccc1c23 ZINC000587209706 JI Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C[S@@](=O)CC(=O)O ZINC000587209954 JI Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C[S@](=O)CC(=O)O ZINC000587209955 JI Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587211932 JI Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@@H](O)COc1cccc(O)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587211935 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H](NC(C)=O)c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000587216338 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](NC(C)=O)c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000587216341 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587216961 JI Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587216963 JI Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cc(I)cnc2[nH]1)c1ccccc1 ZINC000587217118 JI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(I)cnc2[nH]1)c1ccccc1 ZINC000587217119 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587217387 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587217388 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587217389 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587217390 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2cc1OC ZINC000587218389 JI Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2cc1OC ZINC000587218390 JI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000587218538 JI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000587218539 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587219239 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587219240 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)nc2c1 ZINC000587219575 JI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220459 JI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220463 JI Annotated Anodyne Nc1nc(O)c2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587221679 JI Annotated Anodyne Nc1nc(O)c2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587221682 JI Annotated Anodyne COc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587221723 JI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccccc1 ZINC000587222142 JI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccccc1 ZINC000587222144 JI Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587222448 JI Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587222586 JI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587222587 JI Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587223106 JI Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587223107 JI Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)cc1 ZINC000587223282 JI Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587223738 JI Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587223739 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587224146 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587224147 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587224328 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587224332 JI Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587224416 JI Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587224422 JI Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587224492 JI Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587225066 JI Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587225070 JI Annotated Anodyne N=c1[nH]cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc-2[nH]1 ZINC000587225482 JI Annotated Anodyne N=c1[nH]cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc-2[nH]1 ZINC000587225484 JI Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587225690 JI Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587225791 JI Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587225792 JI Annotated Anodyne COC(=O)c1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587226154 JI Annotated Anodyne COC(=O)c1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587226156 JI Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587226184 JI Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587226185 JI Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587226369 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587226496 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587226497 JI Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587226974 JI Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587227331 JI Annotated Anodyne CCCCOc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587227414 JI Annotated Anodyne O=C(NCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCc1ccccc1 ZINC000587228330 JI Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587229027 JI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2cc1OC ZINC000587229202 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587229379 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587229381 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587229384 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587229389 JI Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 ZINC000587229529 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1OC ZINC000587229531 JI Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587229763 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587229897 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587229898 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587229900 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587229902 JI Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(I)cnc2[nH]1 ZINC000587230355 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587230421 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587230422 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587230423 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587230424 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587230426 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587230427 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587230428 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587230429 JI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2cc1OC ZINC000587230791 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587230947 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587230948 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587230949 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587230951 JI Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587231043 JI Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587231214 JI Annotated Mild COC(=O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1OC ZINC000587231241 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587231446 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587231451 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587231455 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587231457 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587231608 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587231615 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587231734 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587231735 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587231736 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587231737 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587231738 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587231739 JI Annotated Anodyne CC1=C(c2ccc3nc(-c4ccccc4NCCNc4ccccc4C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587231811 JI Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587231839 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587231859 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587231861 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587231862 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587231864 JI Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(CNC(=O)OC(C)(C)C)nc4C4CC4)[nH]c3c2)NNC(=O)C1 ZINC000587232391 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587232500 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587232501 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587232502 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587232503 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587232519 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587232520 JI Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587232521 JI Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587232522 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C2CC2)n1 ZINC000587232615 JI Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C2CC2)n1 ZINC000587232652 JI Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCC(=O)CC1 ZINC000587233699 JI Annotated Clean CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587233977 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587234239 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 ZINC000587234273 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCC(=O)CC1 ZINC000587234348 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(I)c3[nH]2)CCC(=O)CC1 ZINC000587234468 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(I)cc3[nH]2)CCC(=O)CC1 ZINC000587234873 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)[nH]c2c1 ZINC000587235001 JI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 ZINC000587235044 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCC(=O)CC1 ZINC000587235206 JI Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587235219 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587235266 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCC(=O)CC1 ZINC000587235437 JI Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587235753 JI Annotated Anodyne O=C(NC1(c2nc3ccnc(O)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236882 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCC(O)CC1 ZINC000587237009 JI Annotated Anodyne COC(=O)c1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cn1 ZINC000587237031 JI Annotated Anodyne O=C(NC1(c2nc3ncc[nH]c-3n2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237304 JI Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2n1 ZINC000587237666 JI Annotated Anodyne NC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237690 JI Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587237725 JI Annotated Anodyne Nc1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587237731 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCC(O)CC1 ZINC000587237756 JI Annotated Anodyne O=C(NC1(c2nc3cncnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237889 JI Annotated Anodyne Nc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1N ZINC000587237897 JI Annotated Anodyne N=C(N)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237902 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238019 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238020 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238021 JI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238022 JI Annotated Anodyne O=C(NC1(c2nc3cnncc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238201 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)ccnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238431 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)ccnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238433 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)ccnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238434 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)ccnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238435 JI Annotated Anodyne CN(C)CCOc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238792 JI Annotated Anodyne CN(C)CCOc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238793 JI Annotated Anodyne CN(C)CCOc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238794 JI Annotated Anodyne CN(C)CCOc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238795 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238843 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238844 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238845 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238846 JI Annotated Anodyne O=C(NC1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239047 JI Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc(I)cnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239180 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(I)cnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239181 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(I)cnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239264 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(I)cnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239266 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)cnc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239420 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)cnc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239424 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)cnc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239426 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)cnc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239428 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 ZINC000587239654 JI Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239851 JI Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239987 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239988 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239989 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239991 JI Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(I)cnc3[nH]2)c(O)c1 ZINC000587240047 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240078 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240079 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240080 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240081 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)ncc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240316 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)ncc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240317 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)ncc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240319 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)ncc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240321 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240331 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240332 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240333 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240336 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240508 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240509 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240510 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240511 JI Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(O)c1 ZINC000587240560 JI Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 ZINC000587240728 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cncc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240776 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cncc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240777 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cncc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240778 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cncc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240779 JI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587242243 JI Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000587243929 JI Annotated Bother Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587243953 JI Annotated Anodyne Nc1nc(O)c2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2n1 ZINC000587244572 JI Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587244755 JI Annotated Clean COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2c1 ZINC000587245201 JI Annotated Anodyne Nc1nc(O)c2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2n1 ZINC000587245253 JI Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587245255 JI Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587245271 JI Annotated Bother COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)C2 ZINC000587246530 JI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)C2 ZINC000587246534 JI Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cn1 ZINC000587246640 JI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)c(Br)cc3[nH]1)C2 ZINC000587246700 JI Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)c(Br)cc3[nH]1)C2 ZINC000587246701 JI Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)C2 ZINC000587247509 JI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)C2 ZINC000587247511 JI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(Br)ccc(Br)c3[nH]1)C2 ZINC000587247655 JI Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Br)ccc(Br)c3[nH]1)C2 ZINC000587247656 JI Annotated Anodyne N[C@@H]1CC[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1 ZINC000587247742 JI Annotated Bother Nc1cccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1C(=O)O ZINC000587248289 JI Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587248541 JI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587249455 JI Annotated Anodyne N=c1cc[nH]cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587249877 JI Annotated Bother Nc1cc(C(=O)O)ccc1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587250315 JI Annotated Anodyne Cc1ccc(CCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1N ZINC000587250978 JI Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587251621 JI Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587251763 JI Annotated Anodyne Nc1ccc(/C=C/c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587251808 JI Annotated Anodyne Nc1ccc(/C=C\c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587251810 JI Annotated Anodyne Nc1ccc2oc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2c1 ZINC000587251836 JI Annotated Anodyne COc1cncc(N)c1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587252287 JI Annotated Anodyne Nc1ncccc1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587253545 JI Annotated Bother COc1cncc(N)c1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587254082 JI Annotated Bother Nc1cncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587254718 JI Annotated Bother N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587258467 JI Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587258531 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 ZINC000587258591 JI Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c1 ZINC000587259646 JI Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587260107 JI Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587260417 JI Annotated Reactive CC(C)CCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260633 JI Annotated Bother CC(C)CCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260634 JI Annotated Bother CC(C)CCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260635 JI Annotated Bother CC(C)CCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260636 JI Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc([N+](=O)[O-])c3OC)nc2c1 ZINC000587260749 JI Annotated Bother Cc1c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cccc1[N+](=O)[O-] ZINC000587260763 JI Annotated Bother COc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261139 JI Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261545 JI Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587261613 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587261615 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587261643 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587261645 JI Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261720 JI Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261804 JI Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587261882 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587261883 JI Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261983 JI Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262250 JI Annotated Mild COCCNc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262342 JI Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(C(C=O)C=O)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 ZINC000587262349 JI Annotated Mild O=CC(C=O)c1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262387 JI Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262404 JI Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262483 JI Annotated Mild NC(=O)c1cc(N2CCC(c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262526 JI Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(CCOc4cc(C)ccc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587262530 JI Annotated Bother COC(=O)c1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587262553 JI Annotated Mild Cc1cc(Br)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 ZINC000587262555 JI Annotated Bother O=CC(C=O)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262639 JI Annotated Mild NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262898 JI Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Cl)cc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262899 JI Annotated Bother Cc1c(Br)cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1C ZINC000587262901 JI Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262917 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587263044 JI Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587263045 JI Annotated Mild NC(=O)c1cc(N2CCC(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263096 JI Annotated Clean NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263109 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587263119 JI Annotated Bother Cc1c(Br)ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 ZINC000587263144 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587263260 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587263261 JI Annotated Bother Cc1cc(Br)cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 ZINC000587263445 JI Annotated Bother CC(C)Oc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587263489 JI Annotated Bother CC(C)Oc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587263490 JI Annotated Bother CC(C)Oc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587263491 JI Annotated Bother CC(C)Oc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587263492 JI Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263508 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587263643 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587263649 JI Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263803 JI Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263804 JI Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263805 JI Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263806 JI Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263827 JI Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263829 JI Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587263836 JI Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587263837 JI Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587263838 JI Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587263839 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(I)c2[nH]1 ZINC000587264033 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(I)c2[nH]1 ZINC000587264039 JI Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264064 JI Annotated Bother Cc1c(Br)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1C ZINC000587264071 JI Annotated Bother Cc1c(Br)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1C ZINC000587264072 JI Annotated Bother Cc1c(Br)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1C ZINC000587264073 JI Annotated Bother COCCNc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587264155 JI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(I)cc2[nH]1 ZINC000587264164 JI Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264200 JI Annotated Bother Cc1c(Br)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1C ZINC000587264217 JI Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587264317 JI Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587264318 JI Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587264319 JI Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587264320 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587264446 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587264447 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587264468 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587264469 JI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587264550 JI Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5ccc(O)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 ZINC000587264628 JI Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587264678 JI Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587264680 JI Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587264682 JI Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587264683 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587264793 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587264795 JI Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587264797 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(I)cc2[nH]1 ZINC000587264802 JI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(I)cc2[nH]1 ZINC000587264804 JI Annotated Bother COC(=O)c1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587265176 JI Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587265370 JI Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587265567 JI Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587265568 JI Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587265569 JI Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587265570 JI Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587265672 JI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(I)c2[nH]1 ZINC000587265673 JI Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587265684 JI Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587265691 JI Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587265694 JI Annotated Bother CCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587265833 JI Annotated Bother CCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587265836 JI Annotated Bother CCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587265840 JI Annotated Bother CCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587265843 JI Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587265858 JI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587265948 JI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587265956 JI Annotated Bother COCCOc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266009 JI Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(OCCOC)c([N+](=O)[O-])c3)nc2c1 ZINC000587266461 JI Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587266594 JI Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587266596 JI Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587266597 JI Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587266598 JI Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587266631 JI Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587266632 JI Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587266633 JI Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587266634 JI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587266649 JI Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267086 JI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587267241 JI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587267406 JI Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587267437 JI Annotated Clean C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587267438 JI Annotated Clean C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587267439 JI Annotated Clean C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587267440 JI Annotated Clean Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587267480 JI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587267481 JI Annotated Bother Cc1nn(Cc2ccccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)c1[N+](=O)[O-] ZINC000587267777 JI Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267786 JI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587267811 JI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587267812 JI Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587267860 JI Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587267919 JI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587268226 JI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587268227 JI Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587268236 JI Annotated Bother Cc1nn(Cc2ccccc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)c1[N+](=O)[O-] ZINC000587268243 JI Annotated Bother Cc1oc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268598 JI Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587268703 JI Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)nn2)c1 ZINC000587268829 JI Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)nn2)c1 ZINC000587268884 JI Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)nn2)c1 ZINC000587268894 JI Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)nn2)c1 ZINC000587268917 JI Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587269061 JI Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587269095 JI Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587269099 JI Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cn(-c6cccc([N+](=O)[O-])c6)nn5)[nH]c4c3)o2)cc1 ZINC000587269134 JI Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000587269237 JI Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)nn2)c1 ZINC000587269292 JI Annotated Bother N[C@@H](CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269331 JI Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587269499 JI Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5ccc([N+](=O)[O-])cc5)[nH]c4c3)o2)cc1 ZINC000587269503 JI Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000587269642 JI Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587269760 JI Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)nn2)c1 ZINC000587269767 JI Annotated Bother N[C@@H](CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270009 JI Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587270037 JI Annotated Bother N[C@@H](CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270066 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000587270243 JI Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587270320 JI Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c21 ZINC000587270505 JI Annotated Clean CC(C)COc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587270528 JI Annotated Bother N[C@@H](CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270628 JI Annotated Bother COC(=O)c1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587270689 JI Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)nn2)c1 ZINC000587270738 JI Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 ZINC000587270753 JI Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587270803 JI Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587272233 JI Annotated Reactive C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587272883 JI Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587272888 JI Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587274174 JI Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)n1 ZINC000587274663 JI Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587274791 JI Annotated Bother O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587275436 JI Annotated Reactive O=C(c1cc2n(n1)C(C(F)(F)F)=CC(=C1CC1)N2)c1c(CO)oc2cc(Br)cnc12 ZINC000587275476 JI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@H]54)[nH]c3c2)NNC(=O)C1 ZINC000587275835 JI Annotated Clean CC1=C(c2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@H]54)[nH]c3c2)NNC(=O)C1 ZINC000587275840 JI Annotated Clean CC1=C(c2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@@H]54)[nH]c3c2)NNC(=O)C1 ZINC000587275841 JI Annotated Clean CC1=C(c2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@@H]54)[nH]c3c2)NNC(=O)C1 ZINC000587275843 JI Annotated Clean C[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275847 JI Annotated Bother C[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275852 JI Annotated Bother O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275932 JI Annotated Anodyne O=C(c1cc(I)ccc1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275971 JI Annotated Anodyne COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)o1 ZINC000587276007 JI Annotated Bother O=C(c1csc(-c2ccc3c(c2)CCO3)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276222 JI Annotated Anodyne O=C(CCn1nc(C(F)(F)F)cc1C1CC1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276348 JI Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587276382 JI Annotated Mild O=C1c2ccccc2C(=O)c2cc(C(=O)c3c(CO)oc4cc(Br)cnc34)ccc21 ZINC000587276392 JI Annotated Clean CCCN(CCC)S(=O)(=O)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276458 JI Annotated Anodyne O=C(c1c(F)cccc1I)c1c(CO)oc2cc(Br)cnc12 ZINC000587276534 JI Annotated Anodyne COc1ccccc1OCc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)o1 ZINC000587276603 JI Annotated Anodyne O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276694 JI Annotated Bother O=C(c1cnn2c1NC(=C1CC1)C=C2C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587277071 JI Annotated Anodyne O=C(c1cc2n(n1)C(C(F)F)=CC(=C1CC1)N2)c1c(CO)oc2cc(Br)cnc12 ZINC000587277094 JI Annotated Anodyne Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)c3coc4cc(C#N)ccc34)c2n1 ZINC000587277720 JI Annotated Mild Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)c3coc4cc(C#N)ccc34)cc2n1 ZINC000587278244 JI Annotated Mild Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2n1 ZINC000587280135 JI Annotated Bother Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)c2n1 ZINC000587280201 JI Annotated Bother CCOC(=O)C[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319144 JI Annotated Reactive CCOC(=O)C[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319147 JI Annotated Reactive CCOC(=O)C[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319148 JI Annotated Reactive CCOC(=O)C[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319151 JI Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Br)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587319753 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Br)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587319767 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Br)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587319768 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Br)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587319769 JI Annotated Anodyne O=C(CBr)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320316 JI Annotated Reactive O=C(CBr)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320318 JI Annotated Reactive O=C(CBr)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320320 JI Annotated Reactive O=C(CBr)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320322 JI Annotated Reactive CCOC(=O)C1([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587320337 JI Annotated Reactive CCOC(=O)C1([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587320341 JI Annotated Reactive CCOC(=O)C1([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587320342 JI Annotated Reactive CCOC(=O)C1([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587320344 JI Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320453 JI Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320457 JI Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320459 JI Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320461 JI Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 ZINC000587321382 JI Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 ZINC000587321385 JI Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 ZINC000587321388 JI Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 ZINC000587321389 JI Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322499 JI Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322502 JI Annotated Reactive COC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322504 JI Annotated Reactive COC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322507 JI Annotated Reactive CC(C)(C)[C@]1(CNC(=O)CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323619 JI Annotated Reactive CC(C)(C)[C@@]1(CNC(=O)CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323620 JI Annotated Reactive CC(C)(C)[C@]1(CNC(=O)CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323621 JI Annotated Reactive CC(C)(C)[C@@]1(CNC(=O)CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323622 JI Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Br)C1 ZINC000587324083 JI Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Br)C1 ZINC000587324084 JI Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Br)C1 ZINC000587324085 JI Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Br)C1 ZINC000587324086 JI Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324235 JI Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324236 JI Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324237 JI Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324238 JI Annotated Reactive O=C1NCC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)[nH]c21 ZINC000587324338 JI Annotated Anodyne O=C1NCC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)[nH]c21 ZINC000587324343 JI Annotated Anodyne O=C1NCC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)[nH]c21 ZINC000587324345 JI Annotated Anodyne O=C1NCC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)[nH]c21 ZINC000587324348 JI Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324566 JI Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324567 JI Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324568 JI Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324569 JI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ncc(Br)cn3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587324758 JI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ncc(Br)cn3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324759 JI Annotated Anodyne NC(=O)CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324795 JI Annotated Reactive NC(=O)CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324797 JI Annotated Reactive NC(=O)CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324799 JI Annotated Reactive NC(=O)CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324801 JI Annotated Reactive NC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325246 JI Annotated Anodyne NC(=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325249 JI Annotated Anodyne NC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325253 JI Annotated Anodyne NC(=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325255 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587326544 JI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587326558 JI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587326560 JI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587326563 JI Annotated Reactive Cn1c(=O)n(C)c2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587327048 JI Annotated Reactive Cn1c(=O)n(C)c2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587327050 JI Annotated Reactive Cn1c(=O)n(C)c2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587327051 JI Annotated Reactive Cn1c(=O)n(C)c2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587327053 JI Annotated Reactive CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327120 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327123 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327124 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327126 JI Annotated Anodyne CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2N1 ZINC000587327778 JI Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]2N1 ZINC000587327781 JI Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]2N1 ZINC000587327783 JI Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2N1 ZINC000587327785 JI Annotated Reactive Cn1c(=O)oc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587328002 JI Annotated Reactive Cn1c(=O)oc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587328008 JI Annotated Reactive Cn1c(=O)oc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587328011 JI Annotated Reactive Cn1c(=O)oc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587328014 JI Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CN2C(=O)CCC2=O)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328100 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)CCC2=O)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328106 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)CCC2=O)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328108 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2C(=O)CCC2=O)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328114 JI Annotated Anodyne CCn1cc(Cl)c([C@]2(CC(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587328306 JI Annotated Anodyne CCn1cc(Cl)c([C@]2(CC(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587328307 JI Annotated Anodyne CCn1cc(Cl)c([C@@]2(CC(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587328308 JI Annotated Anodyne CCn1cc(Cl)c([C@@]2(CC(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587328309 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(C(O)(O)C(F)(F)F)=COc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587328607 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(C(O)(O)C(F)(F)F)=COc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587328619 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(C(O)(O)C(F)(F)F)=COc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587328623 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(C(O)(O)C(F)(F)F)=COc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587328626 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc4c(cc32)OC(F)(F)O4)[C@@H]1c1ccc(F)cc1 ZINC000587328754 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc4c(cc32)OC(F)(F)O4)[C@@H]1c1ccc(F)cc1 ZINC000587328755 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc4c(cc32)OC(F)(F)O4)[C@H]1c1ccc(F)cc1 ZINC000587328756 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc4c(cc32)OC(F)(F)O4)[C@H]1c1ccc(F)cc1 ZINC000587328757 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328978 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328979 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328980 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328981 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329875 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329877 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329878 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329879 JI Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330175 JI Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330178 JI Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330179 JI Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330181 JI Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330199 JI Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330201 JI Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330203 JI Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330206 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330222 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330224 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330226 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330228 JI Annotated Anodyne COC(=O)C(=NNc1ccccc1OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330986 JI Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330988 JI Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330990 JI Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330992 JI Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331488 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331489 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331490 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331491 JI Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331659 JI Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331661 JI Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331662 JI Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331664 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332402 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332406 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332410 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332414 JI Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333035 JI Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333061 JI Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333062 JI Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333064 JI Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333235 JI Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333240 JI Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333242 JI Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333244 JI Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333344 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587333349 JI Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333350 JI Annotated Anodyne O=C(O)[C@H]1C[C@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333351 JI Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333352 JI Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333353 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587333354 JI Annotated Anodyne O=C(O)[C@H]1C[C@@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333355 JI Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333796 JI Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333798 JI Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333799 JI Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333800 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@]2(CCNC2)C1 ZINC000587333809 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@]2(CCNC2)C1 ZINC000587333816 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@]2(CCNC2)C1 ZINC000587333817 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@]2(CCNC2)C1 ZINC000587333820 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587334224 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587334226 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587334230 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587334233 JI Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334294 JI Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334304 JI Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334308 JI Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334311 JI Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334325 JI Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334340 JI Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334344 JI Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334347 JI Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334350 JI Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334351 JI Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334353 JI Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334355 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334658 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334661 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334664 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334666 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334907 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334909 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334912 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334915 JI Annotated Anodyne CC(C)N1CC2CN(C(C)C)CC(C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335722 JI Annotated Anodyne CC(C)N1CC2CN(C(C)C)CC(C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335737 JI Annotated Anodyne Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335916 JI Annotated Anodyne Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335920 JI Annotated Anodyne Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335931 JI Annotated Anodyne Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335941 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336049 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336052 JI Annotated Anodyne C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336104 JI Annotated Anodyne C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336105 JI Annotated Anodyne C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336106 JI Annotated Anodyne C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336107 JI Annotated Anodyne Cn1ncc(I)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336181 JI Annotated Anodyne Cn1ncc(I)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336183 JI Annotated Anodyne Cn1ncc(I)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336185 JI Annotated Anodyne Cn1ncc(I)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336186 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336202 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336204 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336220 JI Annotated Mild O=C1c2ccc(O)cc2O[C@](Cn2cncn2)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336225 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2cncn2)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587336227 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2cncn2)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587336229 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2cncn2)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336230 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336233 JI Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336234 JI Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336235 JI Annotated Mild COC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 ZINC000587336327 JI Annotated Anodyne COC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 ZINC000587336332 JI Annotated Anodyne COC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 ZINC000587336336 JI Annotated Anodyne COC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 ZINC000587336345 JI Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336492 JI Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336497 JI Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336498 JI Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336499 JI Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336525 JI Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336527 JI Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336528 JI Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336529 JI Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336661 JI Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336683 JI Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336692 JI Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336693 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336767 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336769 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336770 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336771 JI Annotated Anodyne Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336774 JI Annotated Bother Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336776 JI Annotated Bother Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336777 JI Annotated Bother Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336779 JI Annotated Bother CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587336813 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587336817 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587336819 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587336825 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336992 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336996 JI Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336997 JI Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337001 JI Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337279 JI Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337286 JI Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337289 JI Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337291 JI Annotated Anodyne C[C@]1(c2ccc(NC(=O)/C=C/C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337414 JI Annotated Anodyne C[C@]1(c2ccc(NC(=O)/C=C\C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337422 JI Annotated Anodyne C[C@]1(c2ccc(NC(=O)/C=C/C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337424 JI Annotated Anodyne C[C@]1(c2ccc(NC(=O)/C=C\C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337426 JI Annotated Anodyne C[C@@]1(c2ccc(N3CCNCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337443 JI Annotated Anodyne C[C@]1(c2ccc(N3CCNCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337455 JI Annotated Anodyne C[C@]1(c2ccc(N3CCNCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337458 JI Annotated Anodyne C[C@@]1(c2ccc(N3CCNCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337462 JI Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337494 JI Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337497 JI Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337498 JI Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337499 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@@H]3COC[C@H]2CN(Cc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587337627 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]3COC[C@H]2CN(Cc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587337628 JI Annotated Anodyne O=C1c2ccc(O)cc2OC2([C@@H]1c1ccc(F)cc1)[C@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587337630 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]3COC[C@H]2CN(Cc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587337631 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@@H]3COC[C@H]2CN(Cc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587337632 JI Annotated Anodyne O=C1c2ccc(O)cc2OC2([C@H]3COC[C@H]2CN(Cc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587337633 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337681 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337682 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337684 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337686 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337688 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337690 JI Annotated Anodyne C[C@]1(c2ccc(NS(C)(=O)=O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337770 JI Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337781 JI Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337782 JI Annotated Anodyne C[C@]1(c2ccc(NS(C)(=O)=O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337783 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587337940 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587337946 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587337950 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587337954 JI Annotated Anodyne O=C(O)c1ccc(C(=O)N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587338166 JI Annotated Anodyne O=C(O)c1ccc(C(=O)N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587338169 JI Annotated Anodyne CN1CCN(c2ccc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587338172 JI Annotated Mild CN1CCN(c2ccc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587338177 JI Annotated Mild CN1CCN(c2ccc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587338181 JI Annotated Mild CN1CCN(c2ccc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587338183 JI Annotated Mild O=C1c2ccc(O)cc2O[C@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587338362 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338378 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587338380 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338382 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587338383 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338385 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587338386 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338389 JI Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338931 JI Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338932 JI Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338933 JI Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338934 JI Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338935 JI Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338936 JI Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338937 JI Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338938 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338956 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338961 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338962 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338964 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339394 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339401 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339405 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339406 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587339419 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587339422 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587339426 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587339431 JI Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339668 JI Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339673 JI Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339676 JI Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339680 JI Annotated Anodyne C[C@]1(c2ccc(N(CC(=O)O)N=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339695 JI Annotated Anodyne C[C@]1(c2ccc(N(CC(=O)O)N=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339700 JI Annotated Anodyne C[C@@]1(c2ccc(N(CC(=O)O)N=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339702 JI Annotated Anodyne C[C@@]1(c2ccc(N(CC(=O)O)N=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339704 JI Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339830 JI Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339832 JI Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339835 JI Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339837 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339889 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339890 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339891 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339892 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2COC[C@@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339973 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2COC[C@@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339976 JI Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340183 JI Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340185 JI Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340187 JI Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340188 JI Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340191 JI Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340198 JI Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340201 JI Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340204 JI Annotated Anodyne Cn1cc(I)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587340249 JI Annotated Anodyne Cn1cc(I)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587340251 JI Annotated Anodyne Cn1cc(I)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587340255 JI Annotated Anodyne Cn1cc(I)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587340258 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340988 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340993 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340996 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341001 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C=[N+]=[N-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341169 JI Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C=[N+]=[N-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341171 JI Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C=[N+]=[N-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341174 JI Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C=[N+]=[N-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341178 JI Annotated Clean NC(=O)Cc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1N ZINC000587341247 JI Annotated Anodyne NC(=O)Cc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1N ZINC000587341249 JI Annotated Anodyne NC(=O)Cc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1N ZINC000587341251 JI Annotated Anodyne NC(=O)Cc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1N ZINC000587341253 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587341324 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587341327 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587341329 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587341331 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C[C@]1(CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341368 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C[C@@]1(CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341369 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C[C@]1(CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341370 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C[C@@]1(CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341373 JI Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341488 JI Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341494 JI Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341496 JI Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341499 JI Annotated Anodyne Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1I ZINC000587341538 JI Annotated Anodyne Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1I ZINC000587341539 JI Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1I ZINC000587341541 JI Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1I ZINC000587341543 JI Annotated Anodyne C/C=C\C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341560 JI Annotated Anodyne C/C=C/C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341563 JI Annotated Anodyne C/C=C\C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341566 JI Annotated Anodyne C/C=C/C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341572 JI Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342037 JI Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342039 JI Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342041 JI Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342043 JI Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342045 JI Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342048 JI Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342049 JI Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342050 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342145 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342146 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342147 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342148 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342149 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342150 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342151 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342152 JI Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342194 JI Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342196 JI Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342198 JI Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342199 JI Annotated Anodyne CCOC(=O)[C@@]1(c2nc3ccccc3n2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342312 JI Annotated Anodyne CCOC(=O)[C@@]1(c2nc3ccccc3n2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342313 JI Annotated Anodyne CCOC(=O)[C@]1(c2nc3ccccc3n2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342315 JI Annotated Anodyne CCOC(=O)[C@]1(c2nc3ccccc3n2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342316 JI Annotated Anodyne C[C@]1(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342389 JI Annotated Anodyne C[C@]1(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342390 JI Annotated Anodyne C[C@]1(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342391 JI Annotated Anodyne C[C@]1(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342392 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342393 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342394 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342395 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342396 JI Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342401 JI Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342402 JI Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342403 JI Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342404 JI Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342405 JI Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342406 JI Annotated Anodyne COc1ccc(Cn2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nn2)cc1 ZINC000587342649 JI Annotated Anodyne COc1ccc(Cn2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nn2)cc1 ZINC000587342652 JI Annotated Anodyne COc1ccc(Cn2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nn2)cc1 ZINC000587342654 JI Annotated Anodyne COc1ccc(Cn2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nn2)cc1 ZINC000587342657 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342718 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342720 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342722 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342723 JI Annotated Anodyne C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342805 JI Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342806 JI Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342807 JI Annotated Clean C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342808 JI Annotated Clean CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C#N)C1 ZINC000587342880 JI Annotated Mild CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C#N)C1 ZINC000587342883 JI Annotated Mild CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C#N)C1 ZINC000587342886 JI Annotated Mild CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C#N)C1 ZINC000587342890 JI Annotated Mild COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343318 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343319 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343320 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343321 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587343356 JI Annotated Mild CC(C)(C)OC(=O)N1CC([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587343357 JI Annotated Mild CC(C)(C)OC(=O)N1CC([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587343358 JI Annotated Mild CC(C)(C)OC(=O)N1CC([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587343359 JI Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3nc4nonc4nc32)[C@@H]1c1ccc(F)cc1 ZINC000587343467 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3nc4nonc4nc32)[C@H]1c1ccc(F)cc1 ZINC000587343470 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3nc4nonc4nc32)[C@@H]1c1ccc(F)cc1 ZINC000587343473 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3nc4nonc4nc32)[C@H]1c1ccc(F)cc1 ZINC000587343475 JI Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343476 JI Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343479 JI Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343481 JI Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343483 JI Annotated Anodyne O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343552 JI Annotated Anodyne O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343553 JI Annotated Anodyne O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343554 JI Annotated Anodyne O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343555 JI Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343684 JI Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343697 JI Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343700 JI Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343704 JI Annotated Anodyne C[C@]1(c2cc(N3CCC(O)CC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343773 JI Annotated Anodyne C[C@@]1(c2cc(N3CCC(O)CC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343776 JI Annotated Anodyne C[C@@]1(c2cc(N3CCC(O)CC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343780 JI Annotated Anodyne C[C@]1(c2cc(N3CCC(O)CC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343784 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343787 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343788 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343790 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343797 JI Annotated Anodyne C[C@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343882 JI Annotated Anodyne C[C@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343886 JI Annotated Anodyne C[C@@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343889 JI Annotated Anodyne C[C@@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343891 JI Annotated Anodyne COc1ccc([C@]2(CCn3cncn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344085 JI Annotated Anodyne COc1ccc([C@@]2(CCn3cncn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344090 JI Annotated Anodyne COc1ccc([C@@]2(CCn3cncn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344094 JI Annotated Anodyne COc1ccc([C@]2(CCn3cncn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344097 JI Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344132 JI Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344135 JI Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344138 JI Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344139 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344228 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344229 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344230 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344231 JI Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)OCC ZINC000587344368 JI Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)OCC ZINC000587344375 JI Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)OCC ZINC000587344377 JI Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)OCC ZINC000587344378 JI Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344582 JI Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344584 JI Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344588 JI Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344589 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344774 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344776 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344778 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344780 JI Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587344787 JI Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587344789 JI Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587344790 JI Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587344791 JI Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344874 JI Annotated Anodyne C[C@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344875 JI Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344876 JI Annotated Anodyne C[C@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344878 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@@H]2[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587344881 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@@H]2[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587344892 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@@H]2[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587344894 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@@H]2[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587344900 JI Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345459 JI Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345462 JI Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345465 JI Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345468 JI Annotated Anodyne N#C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345992 JI Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345996 JI Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346007 JI Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346010 JI Annotated Mild CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346012 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346014 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346020 JI Annotated Anodyne COc1ccc2c([C@]3(C(O)O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc2c1 ZINC000587346022 JI Annotated Anodyne COc1ccc2c([C@@]3(C(O)O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc2c1 ZINC000587346024 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346025 JI Annotated Anodyne COc1ccc2c([C@@]3(C(O)O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc2c1 ZINC000587346027 JI Annotated Anodyne COc1ccc2c([C@]3(C(O)O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc2c1 ZINC000587346028 JI Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCC(=O)O ZINC000587346185 JI Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCC(=O)O ZINC000587346186 JI Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCC(=O)O ZINC000587346187 JI Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCC(=O)O ZINC000587346188 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346408 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346411 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346415 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346418 JI Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346557 JI Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346559 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346658 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346663 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346666 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346669 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346738 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346748 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346751 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346755 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587346946 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587346947 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587346948 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587346949 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H](C1)N2)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587347052 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H](C1)N2)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587347053 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347447 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347448 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347449 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347451 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C3CN4CCN(C3)CC2(Cc2ccccc2)C4)[C@H]1c1ccc(F)cc1 ZINC000587347639 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C3CN4CCN(C3)CC2(Cc2ccccc2)C4)[C@@H]1c1ccc(F)cc1 ZINC000587347641 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C3CN4CCN(C3)CC2(Cc2ccccc2)C4)[C@@H]1c1ccc(F)cc1 ZINC000587347644 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C3CN4CCN(C3)CC2(Cc2ccccc2)C4)[C@H]1c1ccc(F)cc1 ZINC000587347645 JI Annotated Anodyne CC1(C)C(=O)NC2=C1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc12 ZINC000587347687 JI Annotated Mild CC1(C)C(=O)NC2=C1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc12 ZINC000587347688 JI Annotated Mild CC1(C)C(=O)NC2=C1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc12 ZINC000587347691 JI Annotated Mild CC1(C)C(=O)NC2=C1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc12 ZINC000587347693 JI Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587347887 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587347894 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587347896 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587347899 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348000 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348001 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348002 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348004 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348070 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348071 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348074 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348076 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348435 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348436 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348437 JI Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348438 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348484 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348485 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348486 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348487 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)c(O)cc(O)c21 ZINC000587348763 JI Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)c(O)cc(O)c21 ZINC000587348774 JI Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)c(O)cc(O)c21 ZINC000587348780 JI Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)c(O)cc(O)c21 ZINC000587348790 JI Annotated Clean COC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348841 JI Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348844 JI Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348850 JI Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348857 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349060 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349062 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349064 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349065 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349159 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349160 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349161 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349162 JI Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349294 JI Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349303 JI Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349307 JI Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349317 JI Annotated Anodyne C[C@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349360 JI Annotated Anodyne C[C@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349364 JI Annotated Anodyne C[C@@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349370 JI Annotated Anodyne C[C@@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349374 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC(=O)N(C[C@@H]3CCCCO3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587349416 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC(=O)N(C[C@H]3CCCCO3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587349430 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC(=O)N(C[C@@H]3CCCCO3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587349438 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC(=O)N(C[C@H]3CCCCO3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587349446 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349498 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349514 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349516 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349519 JI Annotated Anodyne O=C1c2cccc(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)cc(CO)cc21 ZINC000587349805 JI Annotated Anodyne O=C1c2cccc(O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)cc(CO)cc21 ZINC000587349814 JI Annotated Anodyne O=C1c2cccc(O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)cc(CO)cc21 ZINC000587349818 JI Annotated Anodyne O=C1c2cccc(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)cc(CO)cc21 ZINC000587349823 JI Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350079 JI Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350088 JI Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350092 JI Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350099 JI Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350137 JI Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350141 JI Annotated Anodyne COc1ccc(CN2CC[C@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587350341 JI Annotated Anodyne COc1ccc(CN2CC[C@@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587350351 JI Annotated Anodyne COc1ccc(CN2CC[C@@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587350362 JI Annotated Anodyne COc1ccc(CN2CC[C@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587350373 JI Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350412 JI Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350422 JI Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350429 JI Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350437 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350527 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350531 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350535 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350536 JI Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350572 JI Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350573 JI Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350574 JI Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350575 JI Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350647 JI Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350649 JI Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350650 JI Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350651 JI Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350876 JI Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350883 JI Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C)OC ZINC000587351190 JI Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C)OC ZINC000587351191 JI Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C)OC ZINC000587351192 JI Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C)OC ZINC000587351193 JI Annotated Anodyne C[C@]1(COc2ccccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351278 JI Annotated Anodyne C[C@@]1(COc2ccccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351279 JI Annotated Anodyne C[C@]1(COc2ccccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351280 JI Annotated Anodyne C[C@@]1(COc2ccccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351281 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352383 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352384 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352387 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352390 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2C(=O)C(=O)O ZINC000587352557 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H]2C(=O)C(=O)O ZINC000587352566 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2C(=O)C(=O)O ZINC000587352569 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]2C(=O)C(=O)O ZINC000587352572 JI Annotated Anodyne O=C1c2c(O)cccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CO)cc(O)c21 ZINC000587352754 JI Annotated Anodyne O=C1c2c(O)cccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CO)cc(O)c21 ZINC000587352755 JI Annotated Anodyne O=C1c2c(O)cccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CO)cc(O)c21 ZINC000587352756 JI Annotated Anodyne O=C1c2c(O)cccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CO)cc(O)c21 ZINC000587352758 JI Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352846 JI Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352847 JI Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352848 JI Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352849 JI Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353986 JI Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353988 JI Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353990 JI Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353992 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354089 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354091 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354092 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354093 JI Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355335 JI Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355338 JI Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355339 JI Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355340 JI Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587355728 JI Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587355729 JI Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587355730 JI Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587355731 JI Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356622 JI Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356623 JI Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356624 JI Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356625 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587357146 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587357147 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000587357150 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000587357152 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)cc(O)c(O)c21 ZINC000587357591 JI Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)cc(O)c(O)c21 ZINC000587357592 JI Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)cc(O)c(O)c21 ZINC000587357593 JI Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)cc(O)c(O)c21 ZINC000587357594 JI Annotated Clean CC1(C)OC(=O)C([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O1 ZINC000587357694 JI Annotated Anodyne CC1(C)OC(=O)C([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O1 ZINC000587357697 JI Annotated Anodyne CC1(C)OC(=O)C([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O1 ZINC000587357951 JI Annotated Anodyne CC1(C)OC(=O)C([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O1 ZINC000587357952 JI Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OC ZINC000587359109 JI Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OC ZINC000587359120 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359924 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359926 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359929 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359930 JI Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CS(C)(=O)=O ZINC000587360088 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CS(C)(=O)=O ZINC000587360094 JI Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CS(C)(=O)=O ZINC000587360097 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CS(C)(=O)=O ZINC000587360099 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360389 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360395 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360396 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360397 JI Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360433 JI Annotated Anodyne CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360440 JI Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360442 JI Annotated Anodyne CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360444 JI Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587360498 JI Annotated Reactive CS(=O)(=O)c1ccc([C@@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587360501 JI Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587360502 JI Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587360504 JI Annotated Reactive [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360520 JI Annotated Unstable [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360522 JI Annotated Unstable [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360524 JI Annotated Unstable [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360526 JI Annotated Unstable CS(=O)(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360804 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360805 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360808 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360811 JI Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587361186 JI Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587361189 JI Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587361193 JI Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587361194 JI Annotated Anodyne [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361458 JI Annotated Unstable [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361460 JI Annotated Unstable [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361462 JI Annotated Unstable [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361464 JI Annotated Unstable COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1S(C)(=O)=O ZINC000587361491 JI Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1S(C)(=O)=O ZINC000587361495 JI Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1S(C)(=O)=O ZINC000587361497 JI Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1S(C)(=O)=O ZINC000587361499 JI Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361533 JI Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361534 JI Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361535 JI Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361537 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361618 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361619 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361620 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361621 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361701 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361702 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361703 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361704 JI Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363025 JI Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@@H](C(=O)OC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363027 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OC)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587363028 JI Annotated Anodyne COC(=O)[C@@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363030 JI Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(N4COc5ccc(Br)cc5C4)c3)nc2n1 ZINC000587366226 JI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CN(S(=O)(=O)c4ccccc4)C3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587368921 JI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CN(S(=O)(=O)c4ccccc4)C3)C2)[C@H]1c1ccc(F)cc1 ZINC000587368922 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C[S@@](=O)CC(=O)O ZINC000587368936 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C[S@@](=O)CC(=O)O ZINC000587368939 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C[S@](=O)CC(=O)O ZINC000587368940 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C[S@](=O)CC(=O)O ZINC000587368941 JI Annotated Anodyne C[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369024 JI Annotated Anodyne C[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369027 JI Annotated Anodyne C[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369030 JI Annotated Anodyne C[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369123 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587369144 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587369145 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587369146 JI Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587369147 JI Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369150 JI Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369151 JI Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369152 JI Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369153 JI Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587369266 JI Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369373 JI Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369374 JI Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369375 JI Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369376 JI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369385 JI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369386 JI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369387 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369388 JI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369389 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369390 JI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369391 JI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369392 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369393 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369394 JI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369395 JI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369396 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587369491 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587369492 JI Annotated Anodyne Oc1nc(O)c2cc(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c(-c3ccc(F)cc3)nc2n1 ZINC000587369574 JI Annotated Anodyne CN(c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000587369763 JI Annotated Reactive CN(c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000587369764 JI Annotated Reactive CN(c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000587369765 JI Annotated Reactive CN(c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000587369766 JI Annotated Reactive Cc1ccc(S(=O)(=O)N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587369878 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587369879 JI Annotated Anodyne NS(=O)(=O)c1cc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587369924 JI Annotated Anodyne NS(=O)(=O)c1cc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587369925 JI Annotated Anodyne NS(=O)(=O)c1cc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587369926 JI Annotated Anodyne NS(=O)(=O)c1cc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587369927 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369951 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369952 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369953 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369954 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369961 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]3C2)cc1 ZINC000587369962 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]3C2)cc1 ZINC000587369963 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369964 JI Annotated Anodyne C=CCNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370199 JI Annotated Mild C=CCNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370201 JI Annotated Mild C=CCNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370202 JI Annotated Mild C=CCNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370204 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cc3c(cc1Br)OCCCO3)O2 ZINC000587370306 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cc3c(cc1Br)OCCCO3)O2 ZINC000587370308 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cc3c(cc1Br)OCCCO3)O2 ZINC000587370310 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cc3c(cc1Br)OCCCO3)O2 ZINC000587370311 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(Br)cc(C(=O)O)c(N)c21 ZINC000587370321 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(Br)cc(C(=O)O)c(N)c21 ZINC000587370325 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2Oc2nc(N)c(C#N)cc21 ZINC000587370331 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2Oc2nc(N)c(C#N)cc21 ZINC000587370333 JI Annotated Mild O=C1c2ccc(O)cc2O[C@](CSc2nc(O)cc(O)n2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587370391 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nc(O)cc(O)n2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587370396 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nc(O)cc(O)n2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587370397 JI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nc(O)cc(O)n2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587370400 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](COc1ccc(C(=O)c3cncc(Br)c3)cc1)O2 ZINC000587370550 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](COc1ccc(C(=O)c3cncc(Br)c3)cc1)O2 ZINC000587370553 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370824 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370826 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370829 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370832 JI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(S(=O)(=O)c3cccs3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587370942 JI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(S(=O)(=O)c3cccs3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587370945 JI Annotated Anodyne C=CCNS(=O)(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587371009 JI Annotated Mild C=CCNS(=O)(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587371010 JI Annotated Mild C=CCNS(=O)(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587371012 JI Annotated Mild C=CCNS(=O)(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587371013 JI Annotated Mild CS(=O)(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371124 JI Annotated Reactive CS(=O)(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371125 JI Annotated Reactive CS(=O)(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371126 JI Annotated Reactive CS(=O)(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371127 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc(Br)c21 ZINC000587371271 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc(Br)c21 ZINC000587371275 JI Annotated Anodyne CNc1nc(N)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371717 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)O2 ZINC000587371725 JI Annotated Reactive CNc1nc(N)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371727 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)O2 ZINC000587371729 JI Annotated Reactive CNc1nc(N)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371731 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)O2 ZINC000587371732 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)O2 ZINC000587371735 JI Annotated Reactive CNc1nc(N)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371736 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCC=O)cc1)(c1cncc(Br)c1)O2 ZINC000587371806 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCC=O)cc1)(c1cncc(Br)c1)O2 ZINC000587371808 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccccc1C(N)=O)(c1ccc(Br)cc1)O2 ZINC000587371987 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccccc1C(N)=O)(c1ccc(Br)cc1)O2 ZINC000587371989 JI Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372240 JI Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372241 JI Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372243 JI Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372245 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)O2 ZINC000587372295 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)O2 ZINC000587372303 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C)O2 ZINC000587372305 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)O2 ZINC000587372307 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1cccc(CC(=O)O)c1N)O2 ZINC000587372313 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1cccc(CC(=O)O)c1N)O2 ZINC000587372321 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587372455 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587372456 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587372457 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587372458 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)O2 ZINC000587372495 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)O2 ZINC000587372497 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)O2 ZINC000587372498 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)O2 ZINC000587372500 JI Annotated Reactive CN1C(=O)CS/C1=C/[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372516 JI Annotated Anodyne CN1C(=O)CS/C1=C/[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372520 JI Annotated Anodyne CN1C(=O)CS/C1=C/[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372521 JI Annotated Anodyne CN1C(=O)CS/C1=C/[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372523 JI Annotated Anodyne C[C@]1(c2ccc(N3CCCS3(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372687 JI Annotated Anodyne C[C@@]1(c2ccc(N3CCCS3(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372688 JI Annotated Anodyne C[C@]1(c2ccc(N3CCCS3(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372692 JI Annotated Anodyne C[C@@]1(c2ccc(N3CCCS3(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372694 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(c2nnc(C)o2)=COc2ccc(Br)cc21 ZINC000587372697 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(c2nnc(C)o2)=COc2ccc(Br)cc21 ZINC000587372710 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587373067 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587373070 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587373071 JI Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587373074 JI Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374382 JI Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374384 JI Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374563 JI Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374570 JI Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374573 JI Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374575 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)O2 ZINC000587374589 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)O2 ZINC000587374596 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)c3c(Br)cnn3C)cc1)O2 ZINC000587375028 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)c3c(Br)cnn3C)cc1)O2 ZINC000587375030 JI Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375280 JI Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375283 JI Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375284 JI Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375285 JI Annotated Anodyne O=C(O)CCNC(=O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375329 JI Annotated Anodyne O=C(O)CCNC(=O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375331 JI Annotated Anodyne O=C(O)CCNC(=O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375332 JI Annotated Anodyne O=C(O)CCNC(=O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375334 JI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587376056 JI Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587376061 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587376409 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587376410 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)O2 ZINC000587376642 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)O2 ZINC000587376649 JI Annotated Reactive C[C@]1(c2cccc(N3CCCS3(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376665 JI Annotated Anodyne C[C@@]1(c2cccc(N3CCCS3(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376669 JI Annotated Anodyne C[C@]1(c2cccc(N3CCCS3(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376672 JI Annotated Anodyne C[C@@]1(c2cccc(N3CCCS3(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376674 JI Annotated Anodyne Cc1ncsc1[C@]1(CNC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377703 JI Annotated Reactive Cc1ncsc1[C@]1(CNC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377705 JI Annotated Reactive Cc1ncsc1[C@@]1(CNC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377707 JI Annotated Reactive Cc1ncsc1[C@@]1(CNC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377711 JI Annotated Reactive COCCCNc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378773 JI Annotated Anodyne COCCCNc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378789 JI Annotated Anodyne COCCCNc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378791 JI Annotated Anodyne COCCCNc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378792 JI Annotated Anodyne COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380198 JI Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380199 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587381074 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587381075 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381377 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381378 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)O2 ZINC000587381690 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)O2 ZINC000587381691 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COS(=O)(=O)C(F)(F)F)(c1ccc(Br)cc1)O2 ZINC000587381984 JI Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@](COS(=O)(=O)C(F)(F)F)(c1ccc(Br)cc1)O2 ZINC000587381987 JI Annotated Unstable CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382290 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382305 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)O2 ZINC000587382549 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)O2 ZINC000587382554 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587382920 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587382923 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1C)O2 ZINC000587383320 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1C)O2 ZINC000587383325 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc1C(C)C)O2 ZINC000587384516 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc1C(C)C)O2 ZINC000587384517 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C#N)c(=O)n(Cc3ccccc3)c1)(c1cc(F)ccc1O)O2 ZINC000587384878 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C#N)c(=O)n(Cc3ccccc3)c1)(c1cc(F)ccc1O)O2 ZINC000587384879 JI Annotated Mild CCCCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587385410 JI Annotated Mild CCCCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587385416 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(I)cc(C(F)(F)F)c21 ZINC000587385852 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(I)cc(C(F)(F)F)c21 ZINC000587385858 JI Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@@H]2C1 ZINC000587386104 JI Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@H]2C1 ZINC000587386105 JI Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@@H]2C1 ZINC000587386233 JI Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@H]2C1 ZINC000587386238 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)NCc3ccc(F)cc3)cc1)O2 ZINC000587386271 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)NCc3ccc(F)cc3)cc1)O2 ZINC000587386281 JI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccccc1F ZINC000587386986 JI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccccc1F ZINC000587386991 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(I)cc1)O2 ZINC000587387252 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(I)cc1)O2 ZINC000587387253 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c3ncc(I)c-3cc1Cl)O2 ZINC000587387370 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c3ncc(I)c-3cc1Cl)O2 ZINC000587387371 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c3ccnc-3[nH]c(I)c1Cl)O2 ZINC000587387386 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c3ccnc-3[nH]c(I)c1Cl)O2 ZINC000587387388 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccc3ncc(I)n13)O2 ZINC000587387439 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc3ncc(I)n13)O2 ZINC000587387442 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(I)c1)O2 ZINC000587387449 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(I)c1)O2 ZINC000587387450 JI Annotated Reactive CCn1ccnc1[C@@]1(c2ccc(I)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387593 JI Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387597 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cnc(NC(=O)C(C)(C)C)c1I)O2 ZINC000587387827 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cnc(NC(=O)C(C)(C)C)c1I)O2 ZINC000587387829 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)[nH]c3cccc(I)c13)O2 ZINC000587387954 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N(C)C)[nH]c3cccc(I)c13)O2 ZINC000587387955 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)O2 ZINC000587388417 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)O2 ZINC000587388420 JI Annotated Bother COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388922 JI Annotated Bother COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388926 JI Annotated Bother COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)C(C)(C)C1 ZINC000587389544 JI Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)C(C)(C)C1 ZINC000587389551 JI Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587389716 JI Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587389717 JI Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc(OC)c1 ZINC000587389851 JI Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc(OC)c1 ZINC000587389855 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])CC1 ZINC000587389867 JI Annotated Bother CCOC(=O)C1CCN(c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])CC1 ZINC000587389880 JI Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587390004 JI Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587390015 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587390375 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587390380 JI Annotated Bother COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390675 JI Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390676 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=NNc1cccnc1)C(=O)Nc1cccnc1)(c1ccccc1)O2 ZINC000587390681 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=NNc1cccnc1)C(=O)Nc1cccnc1)(c1ccccc1)O2 ZINC000587390682 JI Annotated Mild CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587390966 JI Annotated Bother CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587390967 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])O2 ZINC000587391875 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])O2 ZINC000587391878 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnn(-c3cccc(C(=O)O)c3)c1)(c1ccccc1O)O2 ZINC000587392694 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnn(-c3cccc(C(=O)O)c3)c1)(c1ccccc1O)O2 ZINC000587392695 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc3c4c(cccc14)C(=O)N(N)C3=O)O2 ZINC000587393204 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc3c4c(cccc14)C(=O)N(N)C3=O)O2 ZINC000587393206 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C1)O2 ZINC000587393826 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C1)O2 ZINC000587393827 JI Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c(=O)c2cc1OC ZINC000587394844 JI Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c(=O)c2cc1OC ZINC000587394847 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2nc3ccccc3c(O)c2C(=O)c2[nH]c3ccccc3c(=O)c21 ZINC000587395802 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2nc3ccccc3c(O)c2C(=O)c2[nH]c3ccccc3c(=O)c21 ZINC000587395805 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)OC(C)(C)C)O2 ZINC000587396277 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)OC(C)(C)C)O2 ZINC000587396278 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)OC(C)(C)C)O2 ZINC000587396279 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)OC(C)(C)C)O2 ZINC000587396280 JI Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587397390 JI Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587397392 JI Annotated Anodyne COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397432 JI Annotated Anodyne COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397436 JI Annotated Anodyne C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587399344 JI Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587399349 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc1)O2 ZINC000587399550 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc1)O2 ZINC000587399553 JI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587399659 JI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587399660 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CN(Cc3ccccc3)C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587400021 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CN(Cc3ccccc3)CCN1C(=O)OC(C)(C)C)O2 ZINC000587400448 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CN(Cc3ccccc3)CCN1C(=O)OC(C)(C)C)O2 ZINC000587400449 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)COC31CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587400657 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)COC31CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587400661 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c1)O2 ZINC000587400680 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c1)O2 ZINC000587400685 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c1)O2 ZINC000587401613 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c1)O2 ZINC000587401614 JI Annotated Mild CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587401716 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587401723 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587401728 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587401732 JI Annotated Anodyne CCOC(=O)C1=C[C@@H](COc2ccc3ccccc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)ON1 ZINC000587401992 JI Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)ON1 ZINC000587401993 JI Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ON1 ZINC000587401994 JI Annotated Anodyne CCOC(=O)C1=C[C@@H](COc2ccc3ccccc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ON1 ZINC000587401995 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c1)O2 ZINC000587402091 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c1)O2 ZINC000587402092 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)N1CCN(c3ccccc3)CC1)(c1cn(C)c3ccccc13)O2 ZINC000587402141 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)N1CCN(c3ccccc3)CC1)(c1cn(C)c3ccccc13)O2 ZINC000587402146 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc1)O2 ZINC000587402561 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc1)O2 ZINC000587402562 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc1)O2 ZINC000587402563 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc1)O2 ZINC000587402564 JI Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)o1 ZINC000587402802 JI Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)o1 ZINC000587402803 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C[C@H]2[C@H]2[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587403753 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2C[C@H]2[C@H]2[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587403758 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587406243 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587406245 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587406246 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587406249 JI Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587406657 JI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587406660 JI Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407614 JI Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407618 JI Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407620 JI Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407621 JI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587407634 JI Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587407637 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc13)O2 ZINC000587408061 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc13)O2 ZINC000587408063 JI Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587408082 JI Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587408083 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)O2 ZINC000587408491 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)O2 ZINC000587408492 JI Annotated Reactive CC(=O)C[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408714 JI Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408716 JI Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408719 JI Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408721 JI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587408768 JI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587408771 JI Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@@H](OC(C)=O)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408772 JI Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@@H](OC(C)=O)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408778 JI Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408779 JI Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408780 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408813 JI Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408816 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(CSc4nncn4C)cc(Cl)cc3c1=O)O2 ZINC000587409141 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(CSc4nncn4C)cc(Cl)cc3c1=O)O2 ZINC000587409146 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c1)O2 ZINC000587409190 JI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000587409192 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000587409194 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c1)O2 ZINC000587409200 JI Annotated Bother COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587409217 JI Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587409221 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1n[nH]c(C)n1)(c1ccc(Br)cc1)O2 ZINC000587409355 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1n[nH]c(C)n1)(c1ccc(Br)cc1)O2 ZINC000587409360 JI Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409708 JI Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409711 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC1=O)O2 ZINC000587409753 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC1=O)O2 ZINC000587409755 JI Annotated Mild COC(=O)c1ccc([C@]2(C(Br)Br)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587409763 JI Annotated Reactive COC(=O)c1ccc([C@@]2(C(Br)Br)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587409765 JI Annotated Reactive COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587409946 JI Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587409947 JI Annotated Bother CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587410134 JI Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587410144 JI Annotated Reactive COc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1S(=O)(=O)Cl ZINC000587410367 JI Annotated Unstable COc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1S(=O)(=O)Cl ZINC000587410368 JI Annotated Unstable C=CCn1c(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)sc1=NS(=O)(=O)c1cccs1 ZINC000587410382 JI Annotated Mild C=CCn1c(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)sc1=NS(=O)(=O)c1cccs1 ZINC000587410383 JI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1SCCS(C)(=O)=O)O2 ZINC000587410403 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1SCCS(C)(=O)=O)O2 ZINC000587410408 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC1=O)O2 ZINC000587410541 JI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC1=O)O2 ZINC000587410542 JI Annotated Clean Cc1ccc(Cn2nc(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2SCC(=O)O)cc1 ZINC000587410652 JI Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2SCC(=O)O)cc1 ZINC000587410653 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410754 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410756 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410759 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410762 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410783 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410784 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410785 JI Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410786 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)c4c(Br)cnn4C)cc1)[C@@H](C2)C3=O ZINC000587411041 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)c4c(Br)cnn4C)cc1)[C@@H](C2)C3=O ZINC000587411043 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cc(Br)c1N)[C@@H](C2)C3=O ZINC000587411091 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cc(Br)c1N)[C@@H](C2)C3=O ZINC000587411092 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587411657 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587411661 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1scc(Br)c1C(=O)O)O2 ZINC000587412196 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1scc(Br)c1C(=O)O)O2 ZINC000587412198 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587412705 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587412706 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587412707 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587412709 JI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1=C(c3ccc(Br)cc3)N3CCN=C3S1)O2 ZINC000587412871 JI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1=C(c3ccc(Br)cc3)N3CCN=C3S1)O2 ZINC000587412872 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)[C@@H](C2)C3=O ZINC000587412935 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)[C@@H](C2)C3=O ZINC000587412940 JI Annotated Reactive COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1O ZINC000587413196 JI Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1O ZINC000587413197 JI Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1O ZINC000587413198 JI Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1O ZINC000587413199 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587413326 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587413329 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587413331 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587413333 JI Annotated Reactive COc1cc2c3c(c1)OC1(CCN(C(=O)c4ccc(Br)cc4C)CC1)[C@@H](C2)C3=O ZINC000587413376 JI Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413763 JI Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413766 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)c(OC)cc(Br)c1Br)[C@@H](C2)C3=O ZINC000587414098 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)c(OC)cc(Br)c1Br)[C@@H](C2)C3=O ZINC000587414101 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Br)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587414897 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Br)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587414903 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC)c(Br)c1O)[C@@H](C2)C3=O ZINC000587415024 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)c(Br)c1O)[C@@H](C2)C3=O ZINC000587415026 JI Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1OC ZINC000587415090 JI Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1OC ZINC000587415091 JI Annotated Anodyne COc1ccc([C@H]2Oc3ccc(C)cc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1OC ZINC000587415092 JI Annotated Anodyne COc1ccc([C@H]2Oc3ccc(C)cc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1OC ZINC000587415093 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc([N+](=O)[O-])cc1Br)[C@@H](C2)C3=O ZINC000587415416 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc([N+](=O)[O-])cc1Br)[C@@H](C2)C3=O ZINC000587415417 JI Annotated Reactive CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587415444 JI Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587415445 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cc(OC)c(OC)cc1Cl)[C@@H](C2)C3=O ZINC000587415831 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(OC)c(OC)cc1Cl)[C@@H](C2)C3=O ZINC000587415832 JI Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587415970 JI Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587415971 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587415982 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587415983 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587415984 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587415985 JI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4cc(Br)cn4)c1)[C@@H](C2)C3=O ZINC000587416380 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4cc(Br)cn4)c1)[C@@H](C2)C3=O ZINC000587416381 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4ccc(Br)cc4c1C(=O)O)[C@@H](C2)C3=O ZINC000587416394 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4ccc(Br)cc4c1C(=O)O)[C@@H](C2)C3=O ZINC000587416395 JI Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416444 JI Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416445 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cc4c(cc1Br)OCCCO4)[C@@H](C2)C3=O ZINC000587416543 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cc4c(cc1Br)OCCCO4)[C@@H](C2)C3=O ZINC000587416545 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cc4c(cc1Br)OCCCO4)[C@@H](C2)C3=O ZINC000587416547 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cc4c(cc1Br)OCCCO4)[C@@H](C2)C3=O ZINC000587416549 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](COc1ccc(C(=O)c4cncc(Br)c4)cc1)[C@@H](C2)C3=O ZINC000587416591 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](COc1ccc(C(=O)c4cncc(Br)c4)cc1)[C@@H](C2)C3=O ZINC000587416592 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587416772 JI Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587416773 JI Annotated Bother COc1cc2c3c(c1)O[C@@]1(CC4(CCNCC4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416830 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCNCC4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416831 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCC1OCCCO1)[C@@H](C2)C3=O ZINC000587417137 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCC1OCCCO1)[C@@H](C2)C3=O ZINC000587417138 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)[C@@H](C2)C3=O ZINC000587417224 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)[C@@H](C2)C3=O ZINC000587417225 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587417310 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587417315 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587417316 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587417318 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(NC(=O)[C@H](C)Cl)cc41)[C@@H](C2)C3=O ZINC000587417383 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(NC(=O)[C@@H](C)Cl)cc41)[C@@H](C2)C3=O ZINC000587417385 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(NC(=O)[C@@H](C)Cl)cc41)[C@@H](C2)C3=O ZINC000587417387 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(NC(=O)[C@H](C)Cl)cc41)[C@@H](C2)C3=O ZINC000587417389 JI Annotated Reactive C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587417400 JI Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cccc(Br)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587417402 JI Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cccc(Br)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587417403 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587417405 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(NC(=O)[C@H](C)Cl)c41)[C@@H](C2)C3=O ZINC000587417439 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(NC(=O)[C@@H](C)Cl)c41)[C@@H](C2)C3=O ZINC000587417441 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(NC(=O)[C@H](C)Cl)c41)[C@@H](C2)C3=O ZINC000587417443 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(NC(=O)[C@@H](C)Cl)c41)[C@@H](C2)C3=O ZINC000587417446 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](COc1ccccc1C(N)=O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417473 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccccc1C(N)=O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417475 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@H](C)Cl)ccc41)[C@@H](C2)C3=O ZINC000587418202 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@@H](C)Cl)ccc41)[C@@H](C2)C3=O ZINC000587418203 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@@H](C)Cl)ccc41)[C@@H](C2)C3=O ZINC000587418206 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@H](C)Cl)ccc41)[C@@H](C2)C3=O ZINC000587418209 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OCC=O)cc1)(c1cncc(Br)c1)[C@@H](C2)C3=O ZINC000587418251 JI Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(OCC=O)cc1)(c1cncc(Br)c1)[C@@H](C2)C3=O ZINC000587418253 JI Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O ZINC000587418556 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O ZINC000587418565 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O ZINC000587418566 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O ZINC000587418567 JI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)c(=O)n(Cc4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587418608 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(=O)n(Cc4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587418612 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(NC(=O)c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587418760 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(NC(=O)c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587418765 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587419317 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587419322 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCN(C(=O)C(F)(F)F)C4)[C@@H](C2)C3=O ZINC000587419449 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCN(C(=O)C(F)(F)F)C4)[C@@H](C2)C3=O ZINC000587419464 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(NC(=O)[C@H](C)Cl)cccc41)[C@@H](C2)C3=O ZINC000587419769 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(NC(=O)[C@@H](C)Cl)cccc41)[C@@H](C2)C3=O ZINC000587419770 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(NC(=O)[C@H](C)Cl)cccc41)[C@@H](C2)C3=O ZINC000587419771 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(NC(=O)[C@@H](C)Cl)cccc41)[C@@H](C2)C3=O ZINC000587419772 JI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c4c1OCCO4)[C@@H](C2)C3=O ZINC000587419878 JI Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c4c1OCCO4)[C@@H](C2)C3=O ZINC000587419881 JI Annotated Bother COc1cc2c3c(c1)O[C@]1(C(c4nnc(C)o4)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419943 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4nnc(C)o4)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419966 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(NC(=O)CCl)cc41)[C@@H](C2)C3=O ZINC000587420056 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(NC(=O)CCl)cc41)[C@@H](C2)C3=O ZINC000587420065 JI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587420261 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587420279 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nnn(Cc4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587420515 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nnn(Cc4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587420520 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(c1c[nH]c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587420646 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(c1c[nH]c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587420647 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1cccc(CC(=O)O)c1N)[C@@H](C2)C3=O ZINC000587421010 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1cccc(CC(=O)O)c1N)[C@@H](C2)C3=O ZINC000587421011 JI Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421042 JI Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421043 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(CCC(=O)O)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587421050 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(CCC(=O)O)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587421051 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(CO)OC=C1OCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421940 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(CO)OC=C1OCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421959 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(S(C)(=O)=O)c1)(c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587422223 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(S(C)(=O)=O)c1)(c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587422226 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc([N+](=O)[O-])c(Cl)c4C)c1)[C@@H](C2)C3=O ZINC000587422245 JI Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc([N+](=O)[O-])c(Cl)c4C)c1)[C@@H](C2)C3=O ZINC000587422251 JI Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(N4CCNCC4)cc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587422344 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(N4CCNCC4)cc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587422348 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587422796 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587422797 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)CCl)ccc41)[C@@H](C2)C3=O ZINC000587423266 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)CCl)ccc41)[C@@H](C2)C3=O ZINC000587423268 JI Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423373 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423374 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(F)c1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587423476 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587423478 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1c(C)nn(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587423662 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1c(C)nn(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587423666 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424534 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424536 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587424554 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587424556 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587425252 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587425253 JI Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425543 JI Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425544 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cccc(I)c1)[C@@H](C2)C3=O ZINC000587426332 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(I)c1)[C@@H](C2)C3=O ZINC000587426333 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CSc1ncccc1C(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426500 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1ncccc1C(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426501 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1ccc(OC)c4I)[C@@H](C2)C3=O ZINC000587426652 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1ccc(OC)c4I)[C@@H](C2)C3=O ZINC000587426656 JI Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc(OC)c1 ZINC000587426914 JI Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc(OC)c1 ZINC000587426915 JI Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1I ZINC000587427026 JI Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1I ZINC000587427030 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(I)nc1Cl)[C@@H](C2)C3=O ZINC000587427142 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(I)nc1Cl)[C@@H](C2)C3=O ZINC000587427149 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CS(=O)(=O)N(Cc4ccccc4F)c4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587427265 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CS(=O)(=O)N(Cc4ccccc4F)c4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587427266 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccccc4F)c(OC)c1)[C@@H](C2)C3=O ZINC000587427288 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccccc4F)c(OC)c1)[C@@H](C2)C3=O ZINC000587427290 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O ZINC000587427380 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O ZINC000587427381 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc4ncc(I)n14)[C@@H](C2)C3=O ZINC000587427464 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc4ncc(I)n14)[C@@H](C2)C3=O ZINC000587427469 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(I)=COc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587427704 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(I)=COc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587427708 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587428149 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587428150 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c4ncc(I)c-4c(Cl)c1F)[C@@H](C2)C3=O ZINC000587428325 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4ncc(I)c-4c(Cl)c1F)[C@@H](C2)C3=O ZINC000587428331 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c4ccnc-4[nH]c(I)c1Cl)[C@@H](C2)C3=O ZINC000587428399 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c4ccnc-4[nH]c(I)c1Cl)[C@@H](C2)C3=O ZINC000587428400 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(I)cc1)([C@H]1CCCO1)[C@@H](C2)C3=O ZINC000587428533 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(I)cc1)([C@@H]1CCCO1)[C@@H](C2)C3=O ZINC000587428535 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(I)cc1)([C@@H]1CCCO1)[C@@H](C2)C3=O ZINC000587428536 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(I)cc1)([C@H]1CCCO1)[C@@H](C2)C3=O ZINC000587428537 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(I)=COc4cccc(OC)c41)[C@@H](C2)C3=O ZINC000587428704 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(I)=COc4cccc(OC)c41)[C@@H](C2)C3=O ZINC000587428706 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N(C)C)[nH]c4cccc(I)c14)[C@@H](C2)C3=O ZINC000587428722 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N(C)C)[nH]c4cccc(I)c14)[C@@H](C2)C3=O ZINC000587428732 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H](C#N)C[C@]4(C)[C@H]5CC[C@]6(C)[C@@H](O)CC[C@H]6[C@@H]5CC[C@]45O[C@@H]51)[C@@H](C2)C3=O ZINC000587428852 JI Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@@H](C#N)C[C@]4(C)[C@H]5CC[C@]6(C)[C@@H](O)CC[C@H]6[C@@H]5CC[C@]45O[C@H]15)[C@@H](C2)C3=O ZINC000587428853 JI Annotated Mild COc1cc2c3c(c1)O[C@]1([C@@H](C#N)C[C@]4(C)[C@H]5CC[C@]6(C)[C@@H](O)CC[C@H]6[C@@H]5CC[C@]45O[C@@H]51)[C@@H](C2)C3=O ZINC000587428854 JI Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@H](C#N)C[C@]4(C)[C@H]5CC[C@]6(C)[C@@H](O)CC[C@H]6[C@@H]5CC[C@]45O[C@H]15)[C@@H](C2)C3=O ZINC000587428855 JI Annotated Mild CCn1ccnc1[C@]1(c2ccc(I)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428956 JI Annotated Anodyne CCn1ccnc1[C@@]1(c2ccc(I)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428957 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587428962 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587428963 JI Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587429335 JI Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587429336 JI Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1cc(I)c(Cl)nc1C)[C@@H](C2)C3=O ZINC000587429776 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(I)c(Cl)nc1C)[C@@H](C2)C3=O ZINC000587429791 JI Annotated Anodyne CCCCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587429875 JI Annotated Mild CCCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587429894 JI Annotated Mild COc1cc2c3c(c1)O[C@H](c1[nH]c4ncc(I)c-4cc1Cl)[C@@H](C2)C3=O ZINC000587430189 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4ncc(I)c-4cc1Cl)[C@@H](C2)C3=O ZINC000587430190 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCCO4)(c1oc4ccccc4c1N)[C@@H](C2)C3=O ZINC000587430696 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCCO4)(c1oc4ccccc4c1N)[C@@H](C2)C3=O ZINC000587430697 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])CC1 ZINC000587430853 JI Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])CC1 ZINC000587430855 JI Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587431364 JI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587431369 JI Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431428 JI Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431431 JI Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] ZINC000587431468 JI Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] ZINC000587431473 JI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587431861 JI Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587431866 JI Annotated Bother CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587431919 JI Annotated Bother CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587431921 JI Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1-c1ccccc1)([C@H](CCCN)C(=O)O)[C@@H](C2)C3=O ZINC000587431986 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1-c1ccccc1)([C@H](CCCN)C(=O)O)[C@@H](C2)C3=O ZINC000587431988 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1-c1ccccc1)([C@@H](CCCN)C(=O)O)[C@@H](C2)C3=O ZINC000587431989 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1-c1ccccc1)([C@@H](CCCN)C(=O)O)[C@@H](C2)C3=O ZINC000587431990 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1OC)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587432224 JI Annotated Bother COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1OC)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587432227 JI Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587432307 JI Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587432308 JI Annotated Bother COc1cc2c3c(c1)O[C@](CC(=O)Nc1ccc4c(c1)OCCO4)(c1ccccc1)[C@@H](C2)C3=O ZINC000587432398 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(=O)Nc1ccc4c(c1)OCCO4)(c1ccccc1)[C@@H](C2)C3=O ZINC000587432401 JI Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587432947 JI Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587432950 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433013 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCCC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433014 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCC1OCCO1)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433015 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCCC1OCCO1)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433016 JI Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433108 JI Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433109 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(N(C)C)cc1)([C@H](C)/C=C(C)/C=C/C(=O)NO)[C@@H](C2)C3=O ZINC000587433507 JI Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(N(C)C)cc1)([C@H](C)/C=C(C)/C=C/C(=O)NO)[C@@H](C2)C3=O ZINC000587433508 JI Annotated Bother COc1ccc(NC(=O)COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587433579 JI Annotated Anodyne COc1ccc(NC(=O)COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587433581 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(C(C)C)ccc4Oc4nc(N)c(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587434277 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(C(C)C)ccc4Oc4nc(N)c(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587434285 JI Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587434436 JI Annotated Bother CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587434437 JI Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587434498 JI Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587434499 JI Annotated Bother COc1cc2c3c(c1)O[C@](C)(CCC(=O)OCCN1C(C)(C)CC(OC)CC1(C)C)[C@@H](C2)C3=O ZINC000587434544 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCC(=O)OCCN1C(C)(C)CC(OC)CC1(C)C)[C@@H](C2)C3=O ZINC000587434545 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587434682 JI Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587434683 JI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434790 JI Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434791 JI Annotated Bother CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435623 JI Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435625 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c[nH]c4cc(OC)c(OC)cc4c1=O)[C@@H](C2)C3=O ZINC000587435823 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c[nH]c4cc(OC)c(OC)cc4c1=O)[C@@H](C2)C3=O ZINC000587435826 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)N1CCc4ccccc41)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437143 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)N1CCc4ccccc41)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437144 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437850 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437851 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437852 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437855 JI Annotated Anodyne CCOC(=O)C1=C[C@@H](COc2ccc3ccccc3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ON1 ZINC000587437921 JI Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ON1 ZINC000587437924 JI Annotated Anodyne CCOC(=O)C1=C[C@@H](COc2ccc3ccccc3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ON1 ZINC000587437925 JI Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ON1 ZINC000587437927 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc4c5c(cccc15)C(=O)N(N)C4=O)[C@@H](C2)C3=O ZINC000587438952 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc4c5c(cccc15)C(=O)N(N)C4=O)[C@@H](C2)C3=O ZINC000587438956 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4)c4c1OCC(=O)N4)[C@@H](C2)C3=O ZINC000587439190 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4)c4c1OCC(=O)N4)[C@@H](C2)C3=O ZINC000587439192 JI Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 ZINC000587439361 JI Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 ZINC000587439367 JI Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 ZINC000587439633 JI Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 ZINC000587439636 JI Annotated Anodyne COC(=O)[C@@H](Oc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC)c1ccccc1 ZINC000587439643 JI Annotated Anodyne COC(=O)[C@H](Oc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC)c1ccccc1 ZINC000587439650 JI Annotated Anodyne COC(=O)[C@@H](Oc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC)c1ccccc1 ZINC000587439652 JI Annotated Anodyne COC(=O)[C@H](Oc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC)c1ccccc1 ZINC000587439655 JI Annotated Anodyne C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587439795 JI Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587439799 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587439868 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587439872 JI Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[nH]1 ZINC000587440073 JI Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[nH]1 ZINC000587440074 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H](c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2 ZINC000587440561 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H](c4cc(C)ccc4C)C(=O)NC14CCC(OC)CC4)[C@@H](C2)C3=O ZINC000587440568 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H](c4cc(C)ccc4C)C(=O)NC14CCC(OC)CC4)[C@@H](C2)C3=O ZINC000587440569 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@@H](c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2 ZINC000587440571 JI Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587440940 JI Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587440943 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc1)[C@@H](C2)C3=O ZINC000587441324 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc1)[C@@H](C2)C3=O ZINC000587441331 JI Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441351 JI Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441353 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441355 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441364 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)COC41CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587441509 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)COC41CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587441516 JI Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 ZINC000587441610 JI Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 ZINC000587441612 JI Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441706 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O ZINC000587441732 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O ZINC000587441745 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c1)[C@@H](C2)C3=O ZINC000587441749 JI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c1)[C@@H](C2)C3=O ZINC000587441761 JI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587442251 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587442258 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(C)ccc4N=C4N(c5ccccc5)CC[C@]41O)[C@@H](C2)C3=O ZINC000587442338 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(C)ccc4N=C4N(c5ccccc5)CC[C@]41O)[C@@H](C2)C3=O ZINC000587442346 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587442380 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587442381 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc1)[C@@H](C2)C3=O ZINC000587442781 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc1)[C@@H](C2)C3=O ZINC000587442782 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)C[C@H]4Nc5ccccc5NC4=O)cc1)[C@@H](C2)C3=O ZINC000587442894 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)C[C@@H]4Nc5ccccc5NC4=O)cc1)[C@@H](C2)C3=O ZINC000587442896 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)C[C@H]4Nc5ccccc5NC4=O)cc1)[C@@H](C2)C3=O ZINC000587442898 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)C[C@@H]4Nc5ccccc5NC4=O)cc1)[C@@H](C2)C3=O ZINC000587442900 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(OC)c1)(c1cccc(OC)c1OC)[C@@H](C2)C3=O ZINC000587443206 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC)c(OC)c1)(c1cccc(OC)c1OC)[C@@H](C2)C3=O ZINC000587443208 JI Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587443332 JI Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587443333 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443578 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443581 JI Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443679 JI Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443682 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587443863 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587443867 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587443871 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587443872 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCc5ccccc54)c(OC)c1)[C@@H](C2)C3=O ZINC000587443954 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCc5ccccc54)c(OC)c1)[C@@H](C2)C3=O ZINC000587443955 JI Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)CC1 ZINC000587444930 JI Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)CC1 ZINC000587444931 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCCN4CCN(C(=O)OC(C)(C)C)CC4)c1)[C@@H](C2)C3=O ZINC000587445348 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCCN4CCN(C(=O)OC(C)(C)C)CC4)c1)[C@@H](C2)C3=O ZINC000587445349 JI Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CN(Cc5ccccc5)C[C@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587445374 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(CCCC(=O)O)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587447295 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(CCCC(=O)O)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587447296 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)[nH]c4ccc(S(=O)(=O)N(C)C)cc14)[C@@H](C2)C3=O ZINC000587447536 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4ccc(S(=O)(=O)N(C)C)cc14)[C@@H](C2)C3=O ZINC000587447537 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OC)c(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O ZINC000587447556 JI Annotated Unstable COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OC)c(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O ZINC000587447557 JI Annotated Unstable COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447676 JI Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447677 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587447700 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587447701 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587447986 JI Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587447988 JI Annotated Bother COc1cc2c3c(c1)O[C@](CSc1n[nH]c(C)n1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587448000 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1n[nH]c(C)n1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587448003 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1cccc(Cl)c1)(CP(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587448005 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1cccc(Cl)c1)(CP(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587448008 JI Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)o1 ZINC000587448085 JI Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)o1 ZINC000587448087 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1c(O)c1ccccc1c4O)[C@@H](C2)C3=O ZINC000587448210 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1c(O)c1ccccc1c4O)[C@@H](C2)C3=O ZINC000587448211 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4C[C@H]4[C@H]4[C@@H]5C=C[C@]6(O)C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448241 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H]4[C@H]4[C@@H]5C=C[C@]6(O)C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448242 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448480 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448481 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1ncc(CO)n1C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587448672 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1ncc(CO)n1C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587448676 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)[C@@H](C2)C3=O ZINC000587448696 JI Annotated Unstable COc1cc2c3c(c1)O[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)[C@@H](C2)C3=O ZINC000587448698 JI Annotated Unstable COc1cc2c3c(c1)O[C@@H](c1ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587448925 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587448926 JI Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448990 JI Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448994 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)C)([C@H](OC(C)=O)c1c(OC)ccc4ccc(=O)oc14)[C@@H](C2)C3=O ZINC000587449260 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(C)C)([C@H](OC(C)=O)c1c(OC)ccc4ccc(=O)oc14)[C@@H](C2)C3=O ZINC000587449267 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)C)([C@@H](OC(C)=O)c1c(OC)ccc4ccc(=O)oc14)[C@@H](C2)C3=O ZINC000587449269 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(C)C)([C@@H](OC(C)=O)c1c(OC)ccc4ccc(=O)oc14)[C@@H](C2)C3=O ZINC000587449272 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCl)(c1ccn(S(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587449484 JI Annotated Reactive COc1cc2c3c(c1)O[C@](CCCl)(c1ccn(S(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587449487 JI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CN(C(C)=O)C4)[C@@H](C2)C3=O ZINC000587449553 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CN(C(C)=O)C4)[C@@H](C2)C3=O ZINC000587449557 JI Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587449751 JI Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587449757 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(C=C4Oc5cc(O)c(O)cc5C(c5ccccc5)=C4CC1=O)[C@@H](C2)C3=O ZINC000587450090 JI Annotated Clean COc1cc2c3c(c1)O[C@@]1(C=C4Oc5cc(O)c(O)cc5C(c5ccccc5)=C4CC1=O)[C@@H](C2)C3=O ZINC000587450099 JI Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C(=O)OC(C)(C)C)CC4)s1)[C@@H](C2)C3=O ZINC000587450288 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C(=O)OC(C)(C)C)CC4)s1)[C@@H](C2)C3=O ZINC000587450289 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1[S@](=O)c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587450292 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1[S@](=O)c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587450293 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1[S@@](=O)c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587450294 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1[S@@](=O)c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587450297 JI Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)nn1C ZINC000587450461 JI Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)nn1C ZINC000587450465 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1=C(c4ccc(Br)cc4)N4CCN=C4S1)[C@@H](C2)C3=O ZINC000587450497 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1=C(c4ccc(Br)cc4)N4CCN=C4S1)[C@@H](C2)C3=O ZINC000587450501 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1SCCS(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450733 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1SCCS(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450735 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450748 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450752 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450754 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450755 JI Annotated Anodyne CCOC(=O)C1CCN([C@@H](C)[C@@]2(c3cccs3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587450770 JI Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587450773 JI Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587450776 JI Annotated Anodyne CCOC(=O)C1CCN([C@@H](C)[C@]2(c3cccs3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587450778 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCN(C(C)=O)C4)[C@@H](C2)C3=O ZINC000587451238 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CCN(C(C)=O)C4)[C@@H](C2)C3=O ZINC000587451239 JI Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C#N)c1 ZINC000587452374 JI Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C#N)c1 ZINC000587452380 JI Annotated Mild CCc1ccc2c(c1)C(=O)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587452599 JI Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587452600 JI Annotated Clean CCc1ccc2c(c1)C(=O)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587452601 JI Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587452602 JI Annotated Clean COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1scc(Br)c1C(=O)O)[C@@H](C2)C3=O ZINC000587452707 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccncc1)(c1scc(Br)c1C(=O)O)[C@@H](C2)C3=O ZINC000587452710 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587452725 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587452728 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587452731 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587452732 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc4ccc(O)cc4C1=O)[C@@H](C2)C3=O ZINC000587452822 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc4ccc(O)cc4C1=O)[C@@H](C2)C3=O ZINC000587452823 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc4ccc(O)cc4C1=O)[C@@H](C2)C3=O ZINC000587452826 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc4ccc(O)cc4C1=O)[C@@H](C2)C3=O ZINC000587452827 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc4c(O)cccc4C1=O)[C@@H](C2)C3=O ZINC000587452983 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc4c(O)cccc4C1=O)[C@@H](C2)C3=O ZINC000587452985 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc4c(O)cccc4C1=O)[C@@H](C2)C3=O ZINC000587452988 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc4c(O)cccc4C1=O)[C@@H](C2)C3=O ZINC000587452989 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(O)ccc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453032 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(O)ccc4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453033 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(O)ccc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453034 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(O)ccc4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453036 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4N(C)S(=O)(=O)c4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587453332 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4N(C)S(=O)(=O)c4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587453334 JI Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587453344 JI Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587453350 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587453464 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587453466 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587453469 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587453472 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453525 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453531 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453535 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453540 JI Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)nc1C ZINC000587453648 JI Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)nc1C ZINC000587453657 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(OC)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587453764 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(OC)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587453765 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(OC)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587453766 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(OC)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587453767 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(C)cc4)c1SCC(=O)O)[C@@H](C2)C3=O ZINC000587453857 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(C)cc4)c1SCC(=O)O)[C@@H](C2)C3=O ZINC000587453858 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1coc4c(CSc5nncn5C)cc(Cl)cc4c1=O)[C@@H](C2)C3=O ZINC000587454161 JI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1coc4c(CSc5nncn5C)cc(Cl)cc4c1=O)[C@@H](C2)C3=O ZINC000587454163 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc4cc(O)ccc4C1=O)[C@@H](C2)C3=O ZINC000587454394 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc4cc(O)ccc4C1=O)[C@@H](C2)C3=O ZINC000587454395 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc4cc(O)ccc4C1=O)[C@@H](C2)C3=O ZINC000587454396 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc4cc(O)ccc4C1=O)[C@@H](C2)C3=O ZINC000587454397 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4=C(c5ccccc5)c5cc(O)c(O)cc5OC4=CC1=O)[C@@H](C2)C3=O ZINC000587454772 JI Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC4=C(c5ccccc5)c5cc(O)c(O)cc5OC4=CC1=O)[C@@H](C2)C3=O ZINC000587454773 JI Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4Oc4c(OC)c(OC)c(OC)c(O)c41)[C@@H](C2)C3=O ZINC000587454951 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4Oc4c(OC)c(OC)c(OC)c(O)c41)[C@@H](C2)C3=O ZINC000587454952 JI Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587455315 JI Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587455316 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)CC2=O ZINC000587455379 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)CC2=O ZINC000587455380 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)CC2=O ZINC000587455381 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)CC2=O ZINC000587455382 JI Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccco1)[C@@H](C2)C3=O ZINC000587455453 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccco1)[C@@H](C2)C3=O ZINC000587455454 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccco1)[C@@H](C2)C3=O ZINC000587455455 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccco1)[C@@H](C2)C3=O ZINC000587455456 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccccc1Br)CC2=O ZINC000587455577 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccccc1Br)CC2=O ZINC000587455578 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCC(=O)O)c(OC)c1)CC2=O ZINC000587455755 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCC(=O)O)c(OC)c1)CC2=O ZINC000587455759 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)CC2=O ZINC000587456278 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)CC2=O ZINC000587456279 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)CC2=O ZINC000587456280 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)CC2=O ZINC000587456281 JI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(OC)c(OC)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587456330 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(OC)c(OC)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587456331 JI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(OC)c(OC)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587456332 JI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(OC)c(OC)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587456333 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCl)(c1ccccc1Br)CC2=O ZINC000587456426 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CNC(=O)CCl)(c1ccccc1Br)CC2=O ZINC000587456428 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCC(=O)N(C)C)c(OC)c1)CC2=O ZINC000587456447 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCC(=O)N(C)C)c(OC)c1)CC2=O ZINC000587456449 JI Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587456500 JI Annotated Clean CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587456503 JI Annotated Clean CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587456506 JI Annotated Clean CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587456508 JI Annotated Clean CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N3CCOCC3)cc1)CC2=O ZINC000587456601 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N3CCOCC3)cc1)CC2=O ZINC000587456602 JI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccco1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587456633 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccco1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587456634 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccco1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587456635 JI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccco1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587456636 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCCOC)c2ccc(Br)cc21 ZINC000587456640 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCCOC)c2ccc(Br)cc21 ZINC000587456644 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(CCN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587456913 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(CCN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587456917 JI Annotated Reactive COC(=O)c1ccc(COc2c(OC)cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)o1 ZINC000587457148 JI Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)o1 ZINC000587457149 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCC(N)=O)c(OCC)c1)CC2=O ZINC000587457265 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCC(N)=O)c(OCC)c1)CC2=O ZINC000587457270 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(Br)cc1)CC2=O ZINC000587457370 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(Br)cc1)CC2=O ZINC000587457371 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587457621 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587457622 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)CC2=O ZINC000587457657 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)CC2=O ZINC000587457658 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)CC2=O ZINC000587457659 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)CC2=O ZINC000587457660 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=NN(CC)c2cc3c(cc21)OCO3 ZINC000587457755 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=NN(CC)c2cc3c(cc21)OCO3 ZINC000587457756 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)CC2=O ZINC000587457850 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)CC2=O ZINC000587457853 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)CC2=O ZINC000587457854 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)CC2=O ZINC000587457855 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CN1CCN(C)CC1)(c1ccc(Br)cc1)CC2=O ZINC000587458035 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCN(C)CC1)(c1ccc(Br)cc1)CC2=O ZINC000587458047 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1ccc(Br)cc1)CC2=O ZINC000587458311 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1ccc(Br)cc1)CC2=O ZINC000587458313 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1cnc(C(=O)OCC)n1)(c1ccc(Cl)cc1)CC2=O ZINC000587458678 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1cnc(C(=O)OCC)n1)(c1ccc(Cl)cc1)CC2=O ZINC000587458687 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(O)(O)C(F)(F)F)=COc2ccc(Cl)cc21 ZINC000587458768 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(O)(O)C(F)(F)F)=COc2ccc(Cl)cc21 ZINC000587458780 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(OC)c1OCC(=O)O)CC2=O ZINC000587458895 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(OC)c1OCC(=O)O)CC2=O ZINC000587458896 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCn3cc(C(=O)O)nn3)c(Cl)c1)CC2=O ZINC000587459103 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCn3cc(C(=O)O)nn3)c(Cl)c1)CC2=O ZINC000587459111 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1OC)([C@H]1CCCN(C=O)C1=O)CC2=O ZINC000587459905 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1OC)([C@H]1CCCN(C=O)C1=O)CC2=O ZINC000587459908 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1OC)([C@@H]1CCCN(C=O)C1=O)CC2=O ZINC000587459911 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1OC)([C@@H]1CCCN(C=O)C1=O)CC2=O ZINC000587459916 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(N)=O)c3ccc(Br)cc13)CC2=O ZINC000587460195 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(N)=O)c3ccc(Br)cc13)CC2=O ZINC000587460199 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)Oc2ccc(Br)cc21 ZINC000587460327 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)Oc2ccc(Br)cc21 ZINC000587460328 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1nnn(-c3ccccc3Cl)c1=O)(C(C)(C)C)CC2=O ZINC000587460396 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1nnn(-c3ccccc3Cl)c1=O)(C(C)(C)C)CC2=O ZINC000587460397 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)Oc2ccc(Br)cc21 ZINC000587460541 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)OC)Oc2ccc(Br)cc21 ZINC000587460542 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)oc(NC(=O)CCl)c1C(=O)OCC)CC2=O ZINC000587461207 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1c(C)oc(NC(=O)CCl)c1C(=O)OCC)CC2=O ZINC000587461208 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](NC(=O)C(F)(F)F)c2cc3c(cc21)OCO3 ZINC000587461312 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](NC(=O)C(F)(F)F)c2cc3c(cc21)OCO3 ZINC000587461315 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](NC(=O)C(F)(F)F)c2cc3c(cc21)OCO3 ZINC000587461318 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](NC(=O)C(F)(F)F)c2cc3c(cc21)OCO3 ZINC000587461319 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C=C[C@@]1(Br)[C@@H]1C=C(Br)C(=O)[C@@H]12 ZINC000587461834 JI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C=C[C@@]1(Br)[C@@H]1C=C(Br)C(=O)[C@H]12 ZINC000587461835 JI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C=C[C@@]1(Br)[C@H]1C=C(Br)C(=O)[C@@H]21 ZINC000587461836 JI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C=C[C@@]1(Br)[C@H]1C=C(Br)C(=O)[C@H]21 ZINC000587461837 JI Annotated Mild CCCc1c(O)ccc2c1O[C@](CCC(F)(F)F)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587461911 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(F)(F)F)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587461912 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCC(C(N)=O)CC1)(c1ccc(Cl)cc1)CC2=O ZINC000587462465 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCC(C(N)=O)CC1)(c1ccc(Cl)cc1)CC2=O ZINC000587462469 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587462732 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587462733 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587462734 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587462735 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1cnc(C(=O)OCC)n1)(c1cccc(Cl)c1)CC2=O ZINC000587462992 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1cnc(C(=O)OCC)n1)(c1cccc(Cl)c1)CC2=O ZINC000587462993 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2cccc(C(F)(F)F)c2)N=C1C(=O)OC ZINC000587464089 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2cccc(C(F)(F)F)c2)N=C1C(=O)OC ZINC000587464090 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)OCC)CN(Cc2ccccc2)CC1(F)F ZINC000587465004 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C(=O)OCC)CN(Cc2ccccc2)CC1(F)F ZINC000587465005 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C(=O)OCC)CN(Cc2ccccc2)CC1(F)F ZINC000587465006 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)OCC)CN(Cc2ccccc2)CC1(F)F ZINC000587465007 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCN(C(=O)CCl)CC3)c(F)c1)CC2=O ZINC000587465224 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCN(C(=O)CCl)CC3)c(F)c1)CC2=O ZINC000587465229 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CSc1ncc(CO)n1C)(c1ccc(F)cc1)CC2=O ZINC000587466202 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1ncc(CO)n1C)(c1ccc(F)cc1)CC2=O ZINC000587466203 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(C3CC3)c1)(c1cc(F)ccc1O)CC2=O ZINC000587467289 JI Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(C3CC3)c1)(c1cc(F)ccc1O)CC2=O ZINC000587467291 JI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(-c3noc(CN4CCOCC4)n3)c1)CC2=O ZINC000587467442 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(-c3noc(CN4CCOCC4)n3)c1)CC2=O ZINC000587467446 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C(=O)OCC)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC000587468557 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)OCC)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC000587468570 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C(=O)OCC)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC000587468574 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)OCC)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC000587468578 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(C(=O)OC)ccc1C(=O)OC)CC2=O ZINC000587468714 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(C(=O)OC)ccc1C(=O)OC)CC2=O ZINC000587468716 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1cc(/C=C/C(=O)NO)n(C)c1)CC2=O ZINC000587468801 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1cc(/C=C/C(=O)NO)n(C)c1)CC2=O ZINC000587468803 JI Annotated Bother CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1cc(/C=C\C(=O)NO)n(C)c1)CC2=O ZINC000587468806 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1cc(/C=C\C(=O)NO)n(C)c1)CC2=O ZINC000587468809 JI Annotated Bother C=CCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc(O)c(CCC)c3O2)cc(C#N)c1=O ZINC000587469232 JI Annotated Mild C=CCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc(O)c(CCC)c3O2)cc(C#N)c1=O ZINC000587469235 JI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c21 ZINC000587469865 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c21 ZINC000587469866 JI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(I)ccnc1N(C)C)CC2=O ZINC000587470091 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)ccnc1N(C)C)CC2=O ZINC000587470092 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(I)cc1C(=O)O)CC2=O ZINC000587470162 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(I)cc1C(=O)O)CC2=O ZINC000587470164 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(I)c1O)CC2=O ZINC000587470187 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(I)c1O)CC2=O ZINC000587470196 JI Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC)ccc(NCCO)c21 ZINC000587470432 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC)ccc(NCCO)c21 ZINC000587470433 JI Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)CC2=O ZINC000587470454 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)CC2=O ZINC000587470455 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)CC2=O ZINC000587470456 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)CC2=O ZINC000587470457 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587470478 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587470479 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(C(=O)CC(C)=O)c1ccccc1C)CC2=O ZINC000587470620 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(C(=O)CC(C)=O)c1ccccc1C)CC2=O ZINC000587470621 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NCCO)ccc(NC)c21 ZINC000587471020 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NCCO)ccc(NC)c21 ZINC000587471021 JI Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(I)nc3c1OCCC3)CC2=O ZINC000587471096 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)nc3c1OCCC3)CC2=O ZINC000587471097 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cccc(I)c1)CC2=O ZINC000587471144 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cccc(I)c1)CC2=O ZINC000587471145 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCn3cc([N+](=O)[O-])cn3)c(OC)c1)CC2=O ZINC000587471197 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCn3cc([N+](=O)[O-])cn3)c(OC)c1)CC2=O ZINC000587471198 JI Annotated Bother CCCc1c(O)ccc2c1O[C@](c1cc(C(=O)OCC)n(C)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587471353 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C(=O)OCC)n(C)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587471355 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1)CC2=O ZINC000587471374 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1)CC2=O ZINC000587471375 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] ZINC000587471805 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] ZINC000587471806 JI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O)c1I)CC2=O ZINC000587472418 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O)c1I)CC2=O ZINC000587472419 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(I)c(OC)nc(OC)c1OC)CC2=O ZINC000587472602 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)c(OC)nc(OC)c1OC)CC2=O ZINC000587472603 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(I)c(O)nc1C)CC2=O ZINC000587473104 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(I)c(O)nc1C)CC2=O ZINC000587473106 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1[N+](=O)[O-])CC2=O ZINC000587473131 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1[N+](=O)[O-])CC2=O ZINC000587473133 JI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473478 JI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473479 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473480 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473481 JI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCCCC3)c(OC)c1)CC2=O ZINC000587473880 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCCCC3)c(OC)c1)CC2=O ZINC000587473881 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCN1C(=O)c3ccccc3C1=O)(c1ccccc1N)CC2=O ZINC000587473947 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCN1C(=O)c3ccccc3C1=O)(c1ccccc1N)CC2=O ZINC000587473951 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000587474035 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000587474036 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000587474037 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC(=O)[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000587474038 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C(=O)ON3C(=O)CCC3=O)cc1)CC2=O ZINC000587474228 JI Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C(=O)ON3C(=O)CCC3=O)cc1)CC2=O ZINC000587474230 JI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(Cc3ccc(OC)c(OC)c3)C(=O)C1)CC2=O ZINC000587474241 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(Cc3ccc(OC)c(OC)c3)C(=O)C1)CC2=O ZINC000587474242 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OCC)CC2=O ZINC000587474295 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OCC)CC2=O ZINC000587474296 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OCC)CC2=O ZINC000587474297 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OCC)CC2=O ZINC000587474298 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474606 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474607 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474608 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474609 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)([C@H]1CN(Cc3ccccc3)CCO1)CC2=O ZINC000587474646 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)([C@@H]1CN(Cc3ccccc3)CCO1)CC2=O ZINC000587474647 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)([C@@H]1CN(Cc3ccccc3)CCO1)CC2=O ZINC000587474648 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)([C@H]1CN(Cc3ccccc3)CCO1)CC2=O ZINC000587474649 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C(=O)OCC)CC2=O ZINC000587474954 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C(=O)OCC)CC2=O ZINC000587474955 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C(=O)OCC)CC2=O ZINC000587474956 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C(=O)OCC)CC2=O ZINC000587474957 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(N3CCNCC3)c21 ZINC000587475235 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(N3CCNCC3)c21 ZINC000587475238 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COC1CCN(C(=O)OCc3ccccc3)CC1)CC2=O ZINC000587475402 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COC1CCN(C(=O)OCc3ccccc3)CC1)CC2=O ZINC000587475404 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c(OC)c1)CC2=O ZINC000587475412 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3C[C@H](C)O[C@H](C)C3)c(OC)c1)CC2=O ZINC000587475413 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(OC)c1)CC2=O ZINC000587475414 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3C[C@H](C)O[C@H](C)C3)c(OC)c1)CC2=O ZINC000587475415 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c([nH]c(C)c2CC)CC[C@@H]1CN1CCOCC1 ZINC000587475499 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c([nH]c(C)c2CC)CC[C@@H]1CN1CCOCC1 ZINC000587475510 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c([nH]c(C)c2CC)CC[C@H]1CN1CCOCC1 ZINC000587475514 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c([nH]c(C)c2CC)CC[C@H]1CN1CCOCC1 ZINC000587475518 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccc(O)cc1 ZINC000587475877 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@H]1c1ccc(O)cc1 ZINC000587475883 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@H]1c1ccc(O)cc1 ZINC000587475886 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccc(O)cc1 ZINC000587475890 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)OC)N(C(=O)OCc3ccccc3)C1)CC2=O ZINC000587475969 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OC)N(C(=O)OCc3ccccc3)C1)CC2=O ZINC000587475971 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)OC)N(C(=O)OCc3ccccc3)C1)CC2=O ZINC000587475974 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OC)N(C(=O)OCc3ccccc3)C1)CC2=O ZINC000587475975 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475998 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587476002 JI Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cc(OC)cc(OC)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587476003 JI Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cc(OC)cc(OC)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587476007 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3c1c(OC)c1ccoc1c3OC)CC2=O ZINC000587476366 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3c1c(OC)c1ccoc1c3OC)CC2=O ZINC000587476369 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(N3CCNCC3)cccc21 ZINC000587476465 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(N3CCNCC3)cccc21 ZINC000587476468 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587477195 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587477196 JI Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587477197 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587477198 JI Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(OC)c2)Oc2cc(O)cc(O)c21 ZINC000587477310 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(OC)c2)Oc2cc(O)cc(O)c21 ZINC000587477317 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(OC)c2)Oc2cc(O)cc(O)c21 ZINC000587477319 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(OC)c2)Oc2cc(O)cc(O)c21 ZINC000587477321 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477515 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477516 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477517 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477519 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587478677 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587478678 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587478683 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587478691 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587478738 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587478741 JI Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587478746 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587478749 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)CC2=O ZINC000587479494 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)CC2=O ZINC000587479498 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](CC)[C@H]1C(=O)OC)CC2=O ZINC000587479499 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)CC2=O ZINC000587479501 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](CC)[C@@H]1C(=O)OC)CC2=O ZINC000587479502 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)CC2=O ZINC000587479504 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](CC)[C@H]1C(=O)OC)CC2=O ZINC000587479505 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](CC)[C@@H]1C(=O)OC)CC2=O ZINC000587479509 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(OC)cc2)Oc2cc(O)cc(O)c21 ZINC000587479666 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(OC)cc2)Oc2cc(O)cc(O)c21 ZINC000587479678 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)cc2)Oc2cc(O)cc(O)c21 ZINC000587479690 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)cc2)Oc2cc(O)cc(O)c21 ZINC000587479699 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587480023 JI Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587480058 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587480655 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587480657 JI Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(OC)cc1 ZINC000587480933 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(OC)cc1 ZINC000587480944 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(OC)cc1 ZINC000587480950 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(OC)cc1 ZINC000587480956 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC3(C[C@@H]2[C@H]1C(=O)OC)OCC(C)(C)CO3 ZINC000587481186 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC3(C[C@@H]2[C@@H]1C(=O)OC)OCC(C)(C)CO3 ZINC000587481191 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC3(C[C@H]2[C@H]1C(=O)OC)OCC(C)(C)CO3 ZINC000587481194 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC3(C[C@H]2[C@@H]1C(=O)OC)OCC(C)(C)CO3 ZINC000587481197 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(OC)=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587481290 JI Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587481292 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1c(O)cc(C)cc1O)(c1c(O)cc(O)cc1C(=O)OC)CC2=O ZINC000587481611 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c(O)cc(C)cc1O)(c1c(O)cc(O)cc1C(=O)OC)CC2=O ZINC000587481618 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc(Br)cc1)CC2=O ZINC000587482386 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(Br)cc1)CC2=O ZINC000587482404 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2=C(Oc3cc(O)c(C)c(O)c31)[C@H](O)Oc1ccccc12 ZINC000587482432 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2=C(Oc3cc(O)c(C)c(O)c31)[C@@H](O)Oc1ccccc12 ZINC000587482454 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2=C(Oc3cc(O)c(C)c(O)c31)[C@H](O)Oc1ccccc12 ZINC000587482460 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(CS(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587482855 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(CS(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587482871 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)cc2)Oc2cc(OC)cc(O)c21 ZINC000587482971 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)cc2)Oc2cc(OC)cc(O)c21 ZINC000587482972 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)cc2)Oc2cc(OC)cc(O)c21 ZINC000587482974 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)cc2)Oc2cc(OC)cc(O)c21 ZINC000587482977 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587483049 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587483055 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2=C(Oc3cc(O)c(C)c(O)c31)[C@@H](O)Oc1ccccc12 ZINC000587483171 JI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC(C(=O)O)C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587483864 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(OC)c1 ZINC000587484263 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(OC)c1 ZINC000587484265 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(OC)c1 ZINC000587484269 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(OC)c1 ZINC000587484276 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O ZINC000587484359 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O ZINC000587484360 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2ccc(C(C)(C)C)cc2)N=C1C(=O)OC ZINC000587484661 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2ccc(C(C)(C)C)cc2)N=C1C(=O)OC ZINC000587484694 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(=O)Nc2cccc(C)c2)c2ccccc21 ZINC000587484700 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(=O)Nc2cccc(C)c2)c2ccccc21 ZINC000587484705 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@H]1[C@@H](C(=O)OCC)N2C(=O)OC(C)(C)C ZINC000587484812 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@H]1[C@@H](C(=O)OCC)N2C(=O)OC(C)(C)C ZINC000587484821 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587484997 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587484999 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 ZINC000587485326 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 ZINC000587485331 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 ZINC000587485336 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 ZINC000587485343 JI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC(C(=O)OC)C[C@H](C1)N2C(=O)OC(C)(C)C ZINC000587485587 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2(CCC(OC)CC2)NC(=O)[C@]1(O)c1cc(C)ccc1C ZINC000587485740 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2(CCC(OC)CC2)NC(=O)[C@@]1(O)c1cc(C)ccc1C ZINC000587485748 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2(CCC(OC)CC2)NC(=O)[C@]1(O)c1cc(C)ccc1C ZINC000587485751 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2(CCC(OC)CC2)NC(=O)[C@@]1(O)c1cc(C)ccc1C ZINC000587485756 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NCc3ccco3)cc1)CC2=O ZINC000587485884 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NCc3ccco3)cc1)CC2=O ZINC000587485885 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccn(S(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587486254 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccn(S(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587486263 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)NC(=O)CO3)(c1ccccc1C(=O)O)CC2=O ZINC000587486800 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)NC(=O)CO3)(c1ccccc1C(=O)O)CC2=O ZINC000587486801 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(S(N)(=O)=O)cc1)CC2=O ZINC000587486890 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(S(N)(=O)=O)cc1)CC2=O ZINC000587486897 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(OC)cc(O)c21 ZINC000587486984 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(OC)cc(O)c21 ZINC000587486988 JI Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(OC)cc(O)c21 ZINC000587486993 JI Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(OC)cc(O)c21 ZINC000587486999 JI Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc13)CC2=O ZINC000587487476 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc13)CC2=O ZINC000587487480 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 ZINC000587487807 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 ZINC000587487808 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587487868 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587487869 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(=O)OC)C1)CC2=O ZINC000587488593 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(=O)OC)C1)CC2=O ZINC000587488594 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(C3CC3)c1)(c1ccccc1O)CC2=O ZINC000587488612 JI Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(C3CC3)c1)(c1ccccc1O)CC2=O ZINC000587488613 JI Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)O)cc1)(c1cc(C(=O)O)ccc1C(=O)O)CC2=O ZINC000587489040 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1cc(C(=O)O)ccc1C(=O)O)CC2=O ZINC000587489041 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2C[C@H]1[C@@H](C(=O)OCC)N2C(=O)OC(C)(C)C ZINC000587489086 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2C[C@H]1[C@@H](C(=O)OCC)N2C(=O)OC(C)(C)C ZINC000587489093 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC000587489215 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC000587489219 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H](C(=O)OC)C[C@@H]1N3C(=O)OC(C)(C)C)CC2=O ZINC000587489224 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H](C(=O)OC)C[C@@H]1N3C(=O)OC(C)(C)C)CC2=O ZINC000587489228 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@H](C(=O)OC)C[C@@H]1N3C(=O)OC(C)(C)C)CC2=O ZINC000587489233 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@H](C(=O)OC)C[C@@H]1N3C(=O)OC(C)(C)C)CC2=O ZINC000587489237 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587489441 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587489445 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CSc3nnnn3C)c1)CC2=O ZINC000587489572 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CSc3nnnn3C)c1)CC2=O ZINC000587489589 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587489597 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587489601 JI Annotated Reactive CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3ccc(Br)cc3)CC1)CC2=O ZINC000587490251 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C[C@@H](C)N3S(C)(=O)=O)CC2=O ZINC000587490289 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C[C@H](C)N3S(C)(=O)=O)CC2=O ZINC000587490292 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C[C@H](C)N3S(C)(=O)=O)CC2=O ZINC000587490293 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C[C@@H](C)N3S(C)(=O)=O)CC2=O ZINC000587490294 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCS(=O)(=O)c1ccc(C)cc1)(CC(=O)OCC)CC2=O ZINC000587490302 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCS(=O)(=O)c1ccc(C)cc1)(CC(=O)OCC)CC2=O ZINC000587490328 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCN3S(=O)(=O)CC)CC2=O ZINC000587490527 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCN3S(=O)(=O)CC)CC2=O ZINC000587490531 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O)CC2=O ZINC000587490846 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O)CC2=O ZINC000587490848 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(=O)OCC)C1)CC2=O ZINC000587490872 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(=O)OCC)C1)CC2=O ZINC000587490874 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(N(CC)S(C)(=O)=O)cc1)CC2=O ZINC000587490907 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(N(CC)S(C)(=O)=O)cc1)CC2=O ZINC000587490910 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(C(=O)O)c(C(=O)O)cc21 ZINC000587490978 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(C(=O)O)c(C(=O)O)cc21 ZINC000587490997 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCCN3S(C)(=O)=O)CC2=O ZINC000587491087 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCCN3S(C)(=O)=O)CC2=O ZINC000587491089 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C ZINC000587491116 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C ZINC000587491118 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)([C@H](O)c1ccc3c(c1)OCO3)CC2=O ZINC000587491130 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)([C@@H](O)c1ccc3c(c1)OCO3)CC2=O ZINC000587491131 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)([C@@H](O)c1ccc3c(c1)OCO3)CC2=O ZINC000587491132 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)([C@H](O)c1ccc3c(c1)OCO3)CC2=O ZINC000587491133 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o1)CC2=O ZINC000587491749 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o1)CC2=O ZINC000587491754 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1sc3c(c1C(=O)OC)CCC3)CC2=O ZINC000587492559 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1sc3c(c1C(=O)OC)CCC3)CC2=O ZINC000587492575 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nc(C)cc(O)n1)(c1ccc(O)c(O)c1)CC2=O ZINC000587493089 JI Annotated Clean CCCc1c(O)ccc2c1O[C@](CSc1nc(C)cc(O)n1)(c1ccc(O)c(O)c1)CC2=O ZINC000587493093 JI Annotated Clean CCCc1c(O)ccc2c1O[C@]1(C=C(CSc3nnnn3-c3ccccc3)OC=C1OC)CC2=O ZINC000587493165 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(CSc3nnnn3-c3ccccc3)OC=C1OC)CC2=O ZINC000587493166 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)OCCOCCOCCOCCO3)CC2=O ZINC000587493669 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)OCCOCCOCCOCCO3)CC2=O ZINC000587493671 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nnnn1-c1ccccc1)(c1ccc[nH]1)CC2=O ZINC000587493982 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nnnn1-c1ccccc1)(c1ccc[nH]1)CC2=O ZINC000587493983 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@H]3CCS(=O)(=O)C3)c1C)CC2=O ZINC000587493992 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@@H]3CCS(=O)(=O)C3)c1C)CC2=O ZINC000587493993 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@H]3CCS(=O)(=O)C3)c1C)CC2=O ZINC000587493994 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@@H]3CCS(=O)(=O)C3)c1C)CC2=O ZINC000587493995 JI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)c3ccc(Br)cc31)CC2=O ZINC000587494041 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)c3ccc(Br)cc31)CC2=O ZINC000587494044 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](C)N1CCN(C(=O)OCC)CC1)CC2=O ZINC000587494317 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](C)N1CCN(C(=O)OCC)CC1)CC2=O ZINC000587494318 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](C)N1CCN(C(=O)OCC)CC1)CC2=O ZINC000587494319 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](C)N1CCN(C(=O)OCC)CC1)CC2=O ZINC000587494320 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(S(=O)(=O)O)c(OC)cc1O)CC2=O ZINC000587494944 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(S(=O)(=O)O)c(OC)cc1O)CC2=O ZINC000587494968 JI Annotated Anodyne CN1CCN(C[C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587495712 JI Annotated Anodyne CN1CCN(C[C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587495715 JI Annotated Anodyne CN(C)CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587495898 JI Annotated Anodyne CN(C)CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587495900 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495982 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495992 JI Annotated Anodyne COCCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587496487 JI Annotated Anodyne COCCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587496489 JI Annotated Anodyne COCCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc21 ZINC000587496594 JI Annotated Anodyne COCCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc21 ZINC000587496596 JI Annotated Anodyne NC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587497098 JI Annotated Anodyne NC(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587497099 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ncon1)c1ccc(Br)cc12 ZINC000587497149 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ncon1)c1ccc(Br)cc12 ZINC000587497155 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1C(=O)CS/C1=C\C(=O)OCC)(c1ccccc1)CC2=O ZINC000587497413 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1C(=O)CS/C1=C/C(=O)OCC)(c1ccccc1)CC2=O ZINC000587497420 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1C(=O)CS/C1=C/C(=O)OCC)(c1ccccc1)CC2=O ZINC000587497422 JI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1C(=O)CS/C1=C\C(=O)OCC)(c1ccccc1)CC2=O ZINC000587497424 JI Annotated Anodyne O=C1C[C@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587497734 JI Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587497736 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497827 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497831 JI Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(N)=O ZINC000587497922 JI Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(N)=O ZINC000587497928 JI Annotated Anodyne COc1ccc(Cl)cc1[C@@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500693 JI Annotated Anodyne COc1ccc(Cl)cc1[C@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500695 JI Annotated Anodyne COc1ccc(Cl)cc1[C@@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500696 JI Annotated Anodyne COc1ccc(Cl)cc1[C@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500697 JI Annotated Anodyne O=C1C[C@](CBr)(CCN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587500738 JI Annotated Reactive O=C1C[C@@](CBr)(CCN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587500740 JI Annotated Reactive CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500937 JI Annotated Bother CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500943 JI Annotated Bother COc1nc(OC)c(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1I ZINC000587501093 JI Annotated Anodyne COc1nc(OC)c(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1I ZINC000587501100 JI Annotated Anodyne O=C1C[C@](CN2CCNCC2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501596 JI Annotated Anodyne O=C1C[C@@](CN2CCNCC2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501605 JI Annotated Anodyne O=C1C[C@@H](c2cc([N+](=O)[O-])cc(I)c2O)Oc2c1ccc1c2CCCC1 ZINC000587501998 JI Annotated Bother O=C1C[C@H](c2cc([N+](=O)[O-])cc(I)c2O)Oc2c1ccc1c2CCCC1 ZINC000587502000 JI Annotated Bother O=C1C[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 ZINC000587502103 JI Annotated Anodyne O=C1C[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 ZINC000587502105 JI Annotated Anodyne O=C1C[C@]2(C[C@H](NC(=O)C(F)(F)F)c3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 ZINC000587502110 JI Annotated Anodyne O=C1C[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 ZINC000587502114 JI Annotated Anodyne NC(=O)C1CCN(C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587502676 JI Annotated Anodyne NC(=O)C1CCN(C[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587502678 JI Annotated Anodyne O=C(O)c1cn(CCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2Cl)nn1 ZINC000587502802 JI Annotated Anodyne O=C(O)c1cn(CCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2Cl)nn1 ZINC000587502803 JI Annotated Anodyne CCO[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587503155 JI Annotated Anodyne CCO[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587503159 JI Annotated Anodyne CCO[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587503161 JI Annotated Anodyne CCO[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587503163 JI Annotated Anodyne COC(=O)c1ncn(C[C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587505578 JI Annotated Anodyne COC(=O)c1ncn(C[C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587505584 JI Annotated Anodyne O=C1C[C@H](c2ccc(F)c(-c3noc(CN4CCOCC4)n3)c2)Oc2c1ccc1c2CCCC1 ZINC000587506019 JI Annotated Anodyne O=C1C[C@@H](c2ccc(F)c(-c3noc(CN4CCOCC4)n3)c2)Oc2c1ccc1c2CCCC1 ZINC000587506020 JI Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506259 JI Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506270 JI Annotated Anodyne C[C@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506817 JI Annotated Reactive C[C@@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506819 JI Annotated Reactive CC(C)(C)[C@]1(Cn2nnn(-c3ccccc3Cl)c2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508541 JI Annotated Anodyne CC(C)(C)[C@@]1(Cn2nnn(-c3ccccc3Cl)c2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508563 JI Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509085 JI Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509090 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509094 JI Annotated Anodyne CC(=O)OCCN(CCOC(C)=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509096 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509098 JI Annotated Anodyne CC(=O)OCCN(CCOC(C)=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509099 JI Annotated Anodyne O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509384 JI Annotated Anodyne O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509385 JI Annotated Anodyne COC(=O)c1cc(I)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 ZINC000587509553 JI Annotated Anodyne COC(=O)c1cc(I)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 ZINC000587509559 JI Annotated Anodyne C[C@H](Oc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN ZINC000587509659 JI Annotated Reactive C[C@@H](Oc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN ZINC000587509667 JI Annotated Reactive C[C@@H](Oc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN ZINC000587509669 JI Annotated Reactive C[C@H](Oc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN ZINC000587509672 JI Annotated Reactive COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509987 JI Annotated Anodyne COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509994 JI Annotated Anodyne COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511054 JI Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511055 JI Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511060 JI Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511067 JI Annotated Bother COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511071 JI Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511072 JI Annotated Bother CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587511510 JI Annotated Bother CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587511516 JI Annotated Bother CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587511518 JI Annotated Bother CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587511580 JI Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587512355 JI Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587512357 JI Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 ZINC000587512410 JI Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 ZINC000587512413 JI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000587512416 JI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000587512419 JI Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(O)c(O)c1O2 ZINC000587512426 JI Annotated Clean CC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(O)c(O)c1O2 ZINC000587512428 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(N3CCNCC3)cccc12 ZINC000587513198 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(N3CCNCC3)cccc12 ZINC000587513201 JI Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513832 JI Annotated Anodyne COC(=O)C[C@@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513848 JI Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513850 JI Annotated Anodyne COC(=O)C[C@@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513852 JI Annotated Anodyne CNc1ccc(NCCO)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587514936 JI Annotated Clean CNc1ccc(NCCO)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587514937 JI Annotated Clean CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515003 JI Annotated Clean CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515004 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(N3CCNCC3)c12 ZINC000587515918 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(N3CCNCC3)c12 ZINC000587515921 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@H]2CN1C(=O)c2ccccc2C1=O ZINC000587516530 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2CN1C(=O)c2ccccc2C1=O ZINC000587516533 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@H]2CN1C(=O)c2ccccc2C1=O ZINC000587516535 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2CN1C(=O)c2ccccc2C1=O ZINC000587516538 JI Annotated Anodyne CC[C@@H]1[C@@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517061 JI Annotated Anodyne CC[C@@H]1[C@@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517062 JI Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517063 JI Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517064 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(-c3ccccc3)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517120 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(-c3ccccc3)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517121 JI Annotated Anodyne COC(=O)[C@@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517584 JI Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517585 JI Annotated Anodyne COC(=O)[C@@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517586 JI Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517587 JI Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517883 JI Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517884 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517885 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517886 JI Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587518015 JI Annotated Anodyne Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587518016 JI Annotated Anodyne Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587518017 JI Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587518018 JI Annotated Anodyne COC(=O)[C@@]1(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587518045 JI Annotated Anodyne COC(=O)[C@@]1(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587518046 JI Annotated Anodyne COC(=O)[C@]1(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587518047 JI Annotated Anodyne COC(=O)[C@]1(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587518048 JI Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCN1CCOCC1 ZINC000587518114 JI Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCN1CCOCC1 ZINC000587518115 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)N1C(=O)OC(C)(C)C ZINC000587518154 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)N1C(=O)OC(C)(C)C ZINC000587518155 JI Annotated Anodyne COC(=O)[C@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518237 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518238 JI Annotated Anodyne COC(=O)[C@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518239 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518240 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587518296 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587518297 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1C(=O)OC)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587518298 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1C(=O)OC)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587518299 JI Annotated Anodyne C[C@@H]1CN(C(=O)C2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)CCN1C(=O)OC(C)(C)C ZINC000587518353 JI Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587518695 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O)C[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518799 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(CCN1C(=O)c3ccccc3C1=O)c1ccccc12 ZINC000587518832 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(CCN1C(=O)c3ccccc3C1=O)c1ccccc12 ZINC000587518833 JI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC(C(=O)O)C[C@H]2CN(C(=O)c2ccccc2)C1 ZINC000587518844 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521227 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521234 JI Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@@]1(c2c(O)cc(C)cc2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526175 JI Annotated Anodyne Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587526177 JI Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@]1(c2c(O)cc(C)cc2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526179 JI Annotated Anodyne Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587526181 JI Annotated Anodyne Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587526187 JI Annotated Anodyne Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587526193 JI Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000587527337 JI Annotated Anodyne Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3C[C@H](C)O[C@H](C)C3)nc12 ZINC000587527338 JI Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3C[C@H](C)O[C@H](C)C3)nc12 ZINC000587527339 JI Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000587527340 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)[nH]c(C(=O)OCC)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527772 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)[nH]c(C(=O)OCC)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527773 JI Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@](O)(c1cc(C)ccc1C)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528177 JI Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@](O)(c1cc(C)ccc1C)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528184 JI Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@@](O)(c1cc(C)ccc1C)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528185 JI Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@@](O)(c1cc(C)ccc1C)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528186 JI Annotated Anodyne COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1O ZINC000587530000 JI Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1O ZINC000587530002 JI Annotated Anodyne COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1O ZINC000587530006 JI Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1O ZINC000587530010 JI Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(N2CCCCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530017 JI Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(N2CCCCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530024 JI Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(N2CCCCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530029 JI Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(N2CCCCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530033 JI Annotated Anodyne CS(=O)(=O)N1CCCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587530335 JI Annotated Reactive CS(=O)(=O)N1CCCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587530337 JI Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br ZINC000587530350 JI Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br ZINC000587530351 JI Annotated Reactive O=C(O)c1cc2c(cc1C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587530433 JI Annotated Anodyne O=C(O)c1cc2c(cc1C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587530439 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530565 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530572 JI Annotated Anodyne O=C(O)CC[C@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530698 JI Annotated Anodyne O=C(O)CC[C@@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530709 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 ZINC000587531191 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 ZINC000587531194 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532112 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532113 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532114 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532115 JI Annotated Anodyne O=C1C[C@](CCl)(c2ccc(CC(=O)N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587532220 JI Annotated Reactive O=C1C[C@@](CCl)(c2ccc(CC(=O)N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587532221 JI Annotated Reactive O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532236 JI Annotated Anodyne O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532237 JI Annotated Anodyne COC1=COC(CSc2nnnn2-c2ccccc2)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532337 JI Annotated Anodyne COC1=COC(CSc2nnnn2-c2ccccc2)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532339 JI Annotated Anodyne C[C@H]1Cc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1S(C)(=O)=O ZINC000587532389 JI Annotated Reactive C[C@@H]1Cc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1S(C)(=O)=O ZINC000587532390 JI Annotated Reactive C[C@H]1Cc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1S(C)(=O)=O ZINC000587532391 JI Annotated Reactive C[C@@H]1Cc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1S(C)(=O)=O ZINC000587532392 JI Annotated Reactive Cc1cc(O)nc(SC[C@@]2(c3ccc(O)c(O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587532742 JI Annotated Clean Cc1cc(O)nc(SC[C@]2(c3ccc(O)c(O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587532762 JI Annotated Clean Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000587532802 JI Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000587532820 JI Annotated Reactive COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nnnn1C ZINC000587532951 JI Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nnnn1C ZINC000587532954 JI Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000587532994 JI Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000587532995 JI Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587533792 JI Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587533794 JI Annotated Reactive CN(C)S(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533828 JI Annotated Reactive CN(C)S(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533831 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533883 JI Annotated Reactive O=C(O)c1cc(O)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cccc(O)c1C2=O ZINC000587534134 JI Annotated Anodyne O=C(O)c1cc(O)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cccc(O)c1C2=O ZINC000587534138 JI Annotated Anodyne COc1cc(O)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1S(=O)(=O)O ZINC000587534168 JI Annotated Anodyne COc1cc(O)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1S(=O)(=O)O ZINC000587534174 JI Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534192 JI Annotated Reactive CCOC(=O)C[C@@]1(CCS(=O)(=O)c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534366 JI Annotated Anodyne CCOC(=O)C[C@]1(CCS(=O)(=O)c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534367 JI Annotated Anodyne C[C@]1(c2ccc3c(c2)OCCOCCOCCOCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534991 JI Annotated Anodyne C[C@@]1(c2ccc3c(c2)OCCOCCOCCOCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534992 JI Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535023 JI Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535028 JI Annotated Clean COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535031 JI Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535032 JI Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587535513 JI Annotated Clean COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587535516 JI Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587535521 JI Annotated Clean COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587535522 JI Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(O)cc1O[C@@H]2c1cc(O)c(O)c(O)c1 ZINC000587535565 JI Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(O)cc1O[C@H]2c1cc(O)c(O)c(O)c1 ZINC000587535566 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(O)cc1O[C@H]2c1cc(O)c(O)c(O)c1 ZINC000587535567 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(O)cc1O[C@@H]2c1cc(O)c(O)c(O)c1 ZINC000587535568 JI Annotated Clean COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12CC(=O)c1ccc4c(c1O2)CCCC4)OCC(C)(C)CO3 ZINC000587535637 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@H]2C[C@]12CC(=O)c1ccc4c(c1O2)CCCC4)OCC(C)(C)CO3 ZINC000587535640 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@H]2C[C@@]12CC(=O)c1ccc4c(c1O2)CCCC4)OCC(C)(C)CO3 ZINC000587535641 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12CC(=O)c1ccc4c(c1O2)CCCC4)OCC(C)(C)CO3 ZINC000587535644 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587535704 JI Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587535705 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587535706 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587535707 JI Annotated Clean O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587535718 JI Annotated Reactive COc1cc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1O ZINC000587535783 JI Annotated Anodyne COc1cc([C@H]2Oc3cc(O)cc(O)c3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1O ZINC000587535784 JI Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1O ZINC000587535785 JI Annotated Anodyne COc1cc([C@H]2Oc3cc(O)cc(O)c3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1O ZINC000587535786 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(O)cc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587536053 JI Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(O)cc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587536054 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(O)cc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587536055 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(O)cc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587536056 JI Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1 ZINC000587536778 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1 ZINC000587536779 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1 ZINC000587536780 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1 ZINC000587536781 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1O ZINC000587536802 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1O ZINC000587536803 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1O ZINC000587536804 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1O ZINC000587536805 JI Annotated Anodyne O=C1C[C@H](c2ccc3c(c2)OCCOCCOCCOCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536908 JI Annotated Anodyne O=C1C[C@@H](c2ccc3c(c2)OCCOCCOCCOCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536909 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587536910 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587536911 JI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587536912 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587536913 JI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587536982 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587536983 JI Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587536984 JI Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587536985 JI Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCCO2 ZINC000587537137 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCCO2 ZINC000587537140 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCCO2 ZINC000587537141 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCCO2 ZINC000587537143 JI Annotated Reactive CCOC(=O)/C=C1/SCC(=O)N1C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537288 JI Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537290 JI Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537291 JI Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537292 JI Annotated Anodyne O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537356 JI Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537357 JI Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537358 JI Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537359 JI Annotated Reactive O=C(CBr)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537464 JI Annotated Reactive O=C(CBr)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537465 JI Annotated Reactive O=C(CBr)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537466 JI Annotated Reactive O=C(CBr)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537467 JI Annotated Reactive O=Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587537505 JI Annotated Reactive O=Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587537506 JI Annotated Reactive O=Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587537507 JI Annotated Reactive O=Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587537508 JI Annotated Reactive O=C(O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537515 JI Annotated Reactive O=C(O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537516 JI Annotated Reactive O=C(O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537517 JI Annotated Reactive O=C(O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537518 JI Annotated Reactive COC(=O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537525 JI Annotated Reactive COC(=O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537526 JI Annotated Reactive COC(=O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537527 JI Annotated Reactive COC(=O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537528 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCO)cc1Br ZINC000587537651 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCO)cc1Br ZINC000587537652 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCO)cc1Br ZINC000587537653 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCO)cc1Br ZINC000587537654 JI Annotated Anodyne C[C@@H]1Oc2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2NC1=O ZINC000587537833 JI Annotated Reactive C[C@@H]1Oc2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2NC1=O ZINC000587537834 JI Annotated Reactive C[C@@H]1Oc2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2NC1=O ZINC000587537835 JI Annotated Reactive C[C@@H]1Oc2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2NC1=O ZINC000587537836 JI Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537837 JI Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537838 JI Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537839 JI Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537840 JI Annotated Reactive COC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587537979 JI Annotated Reactive COC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587537981 JI Annotated Reactive COC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587537983 JI Annotated Reactive COC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587537985 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCOCC2)cc1 ZINC000587538007 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCOCC2)cc1 ZINC000587538010 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCOCC2)cc1 ZINC000587538012 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCOCC2)cc1 ZINC000587538015 JI Annotated Reactive COc1ccc(Br)cc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538243 JI Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538244 JI Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538245 JI Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538246 JI Annotated Anodyne O=C(O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538258 JI Annotated Reactive O=C(O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538259 JI Annotated Reactive O=C(O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538260 JI Annotated Reactive O=C(O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538261 JI Annotated Reactive Cc1cc2c(cc1Br)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538499 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538516 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538518 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538527 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587538548 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587538560 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587538562 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587538563 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCO2 ZINC000587538643 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCO2 ZINC000587538644 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCO2 ZINC000587538645 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCO2 ZINC000587538646 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@@H]1COc2ccccc2O1 ZINC000587538653 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@H]1COc2ccccc2O1 ZINC000587538654 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@@H]1COc2ccccc2O1 ZINC000587538655 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@H]1COc2ccccc2O1 ZINC000587538656 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cnc2c1OCCO2 ZINC000587538677 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cnc2c1OCCO2 ZINC000587538682 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cnc2c1OCCO2 ZINC000587538684 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cnc2c1OCCO2 ZINC000587538685 JI Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538827 JI Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538829 JI Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538830 JI Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538831 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538832 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538834 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538837 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538840 JI Annotated Anodyne CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538996 JI Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538997 JI Annotated Reactive CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538998 JI Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538999 JI Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539044 JI Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539045 JI Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539046 JI Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539047 JI Annotated Reactive Cc1cc2c(cc1Br)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587539239 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587539241 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587539243 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587539245 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539252 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539256 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539258 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539260 JI Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539270 JI Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539273 JI Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539274 JI Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539276 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(c2cccc(Br)c2)COC1 ZINC000587539477 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(c2cccc(Br)c2)COC1 ZINC000587539478 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(c2cccc(Br)c2)COC1 ZINC000587539479 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(c2cccc(Br)c2)COC1 ZINC000587539480 JI Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587539555 JI Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587539556 JI Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587539557 JI Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587539558 JI Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCSCC3)nc12 ZINC000587539690 JI Annotated Anodyne Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCSCC3)nc12 ZINC000587539691 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(O)c([N+](=O)[O-])c1 ZINC000587539839 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(O)c([N+](=O)[O-])c1 ZINC000587539840 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(O)c([N+](=O)[O-])c1 ZINC000587539841 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(O)c([N+](=O)[O-])c1 ZINC000587539842 JI Annotated Bother O=C1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587539859 JI Annotated Anodyne O=C1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587539860 JI Annotated Anodyne O=C1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587539861 JI Annotated Anodyne O=C1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587539862 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2C ZINC000587539912 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2C ZINC000587539921 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2C ZINC000587539924 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2C ZINC000587539928 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cnc2nccnc12 ZINC000587540026 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cnc2nccnc12 ZINC000587540028 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cnc2nccnc12 ZINC000587540029 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cnc2nccnc12 ZINC000587540031 JI Annotated Anodyne C[C@]1(c2cc3c(cc2Br)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540049 JI Annotated Anodyne C[C@]1(c2cc3c(cc2Br)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540050 JI Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540059 JI Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540060 JI Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540061 JI Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540062 JI Annotated Anodyne O=C(O)COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540172 JI Annotated Anodyne O=C(O)COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540173 JI Annotated Anodyne O=C(O)COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540174 JI Annotated Anodyne O=C(O)COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540175 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540479 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540480 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540481 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540482 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc([N+](=O)[O-])c1O ZINC000587540512 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1O ZINC000587540513 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1O ZINC000587540514 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc([N+](=O)[O-])c1O ZINC000587540515 JI Annotated Bother C[C@]1(c2cc(Br)ccc2OCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540726 JI Annotated Anodyne C[C@]1(c2cc(Br)ccc2OCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540727 JI Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540728 JI Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540729 JI Annotated Anodyne CN(C)C(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587540885 JI Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540890 JI Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540891 JI Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540892 JI Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540893 JI Annotated Anodyne CN(C)C(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587540894 JI Annotated Anodyne CN(C)C(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587540896 JI Annotated Anodyne CN(C)C(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587540898 JI Annotated Anodyne COC(=O)[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541138 JI Annotated Anodyne COC(=O)[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541139 JI Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541140 JI Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541141 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCC(=O)O ZINC000587541187 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCC(=O)O ZINC000587541188 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCC(=O)O ZINC000587541189 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCC(=O)O ZINC000587541190 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000587541251 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000587541252 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000587541253 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000587541254 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(Br)c1O ZINC000587541353 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(Br)c1O ZINC000587541354 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(Br)c1O ZINC000587541355 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(Br)c1O ZINC000587541356 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCN1C(=O)c2ccccc2C1=O ZINC000587541701 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)CCN1C(=O)c2ccccc2C1=O ZINC000587541702 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCN1C(=O)c2ccccc2C1=O ZINC000587541703 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)CCN1C(=O)c2ccccc2C1=O ZINC000587541704 JI Annotated Reactive COC(=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541776 JI Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541778 JI Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541780 JI Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541781 JI Annotated Anodyne CN1Cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2NC1=O ZINC000587541845 JI Annotated Reactive CN1Cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2NC1=O ZINC000587541846 JI Annotated Reactive CN1Cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2NC1=O ZINC000587541847 JI Annotated Reactive CN1Cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2NC1=O ZINC000587541848 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587542322 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587542324 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587542326 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587542328 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)CCC1=O)c1ccccc1Cl ZINC000587542338 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)CCC1=O)c1ccccc1Cl ZINC000587542340 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)CCC1=O)c1ccccc1Cl ZINC000587542342 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)CCC1=O)c1ccccc1Cl ZINC000587542343 JI Annotated Anodyne O=C(O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542418 JI Annotated Anodyne O=C(O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542419 JI Annotated Anodyne O=C(O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542420 JI Annotated Anodyne O=C(O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542421 JI Annotated Anodyne CC(=O)N(C)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542554 JI Annotated Reactive CC(=O)N(C)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542555 JI Annotated Reactive CC(=O)N(C)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542556 JI Annotated Reactive CC(=O)N(C)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542557 JI Annotated Reactive CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542574 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542579 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542580 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542582 JI Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543031 JI Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543032 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543451 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543460 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543462 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543466 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587543752 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587543755 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587543756 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587543757 JI Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587543790 JI Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587543791 JI Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587543792 JI Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587543793 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543916 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543917 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543918 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543919 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587544158 JI Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587544160 JI Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587544163 JI Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587544166 JI Annotated Reactive O=C(CCl)NC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544337 JI Annotated Reactive O=C(CCl)NC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544342 JI Annotated Reactive O=C(CCl)NC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544343 JI Annotated Reactive O=C(CCl)NC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544344 JI Annotated Reactive Cc1cc(Br)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587544865 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587544866 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587544867 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587544869 JI Annotated Anodyne C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544907 JI Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544912 JI Annotated Reactive C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544913 JI Annotated Reactive C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544915 JI Annotated Reactive CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545056 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545057 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545058 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545059 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545255 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545257 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545260 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545263 JI Annotated Anodyne N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545386 JI Annotated Reactive N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545390 JI Annotated Reactive N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545391 JI Annotated Reactive N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545392 JI Annotated Reactive COCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587545403 JI Annotated Anodyne COCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587545406 JI Annotated Anodyne COCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587545407 JI Annotated Anodyne COCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587545409 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CN1CCOCC1)c1ccc(Br)cc1 ZINC000587545494 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CN1CCOCC1)c1ccc(Br)cc1 ZINC000587545495 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CN1CCOCC1)c1ccc(Br)cc1 ZINC000587545496 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CN1CCOCC1)c1ccc(Br)cc1 ZINC000587545497 JI Annotated Anodyne C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545611 JI Annotated Reactive C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545612 JI Annotated Reactive C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545613 JI Annotated Reactive C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545614 JI Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nc[nH]n1 ZINC000587545615 JI Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nc[nH]n1 ZINC000587545616 JI Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nc[nH]n1 ZINC000587545617 JI Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nc[nH]n1 ZINC000587545618 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(N2CCOC2=O)cc1 ZINC000587545971 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(N2CCOC2=O)cc1 ZINC000587545976 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(N2CCOC2=O)cc1 ZINC000587545977 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(N2CCOC2=O)cc1 ZINC000587545978 JI Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587545995 JI Annotated Reactive O=C(O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587546011 JI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H]2Br ZINC000587546012 JI Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]2Br ZINC000587546013 JI Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587546014 JI Annotated Reactive O=C(O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587546016 JI Annotated Anodyne O=C(O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587546017 JI Annotated Anodyne O=C(O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587546018 JI Annotated Anodyne O=C1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc2O1 ZINC000587546074 JI Annotated Anodyne O=C1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc2O1 ZINC000587546077 JI Annotated Anodyne O=C1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc2O1 ZINC000587546079 JI Annotated Anodyne O=C1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc2O1 ZINC000587546081 JI Annotated Anodyne NC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587546107 JI Annotated Anodyne NC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587546108 JI Annotated Anodyne NC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587546109 JI Annotated Anodyne NC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587546110 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Br)C1 ZINC000587546283 JI Annotated Reactive CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Br)C1 ZINC000587546286 JI Annotated Reactive CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Br)C1 ZINC000587546290 JI Annotated Reactive CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Br)C1 ZINC000587546292 JI Annotated Reactive COCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587546501 JI Annotated Anodyne COCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587546502 JI Annotated Anodyne COCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587546505 JI Annotated Anodyne COCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587546507 JI Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587546587 JI Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587546589 JI Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587546591 JI Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587546594 JI Annotated Anodyne C[C@]1([C@@H](Cc2ccccc2)NC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546715 JI Annotated Reactive C[C@]1([C@H](Cc2ccccc2)NC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546719 JI Annotated Reactive C[C@]1([C@@H](Cc2ccccc2)NC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546721 JI Annotated Reactive C[C@]1([C@H](Cc2ccccc2)NC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546723 JI Annotated Reactive COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546783 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546785 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546786 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546787 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546967 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546976 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546977 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546978 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547217 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547220 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547223 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547226 JI Annotated Anodyne COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587547227 JI Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587547236 JI Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587547238 JI Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587547239 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CS(=O)(=O)c1cc(C(F)(F)F)ccc12 ZINC000587547602 JI Annotated Anodyne O=C(C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)NC1CC1 ZINC000587547614 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CS(=O)(=O)c1cc(C(F)(F)F)ccc12 ZINC000587547624 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CS(=O)(=O)c1cc(C(F)(F)F)ccc12 ZINC000587547627 JI Annotated Anodyne O=C(C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)NC1CC1 ZINC000587547629 JI Annotated Anodyne O=C(C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)NC1CC1 ZINC000587547630 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CS(=O)(=O)c1cc(C(F)(F)F)ccc12 ZINC000587547632 JI Annotated Anodyne O=C(C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)NC1CC1 ZINC000587547633 JI Annotated Anodyne NC(=O)C1CCN(C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587547651 JI Annotated Anodyne NC(=O)C1CCN(C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587547654 JI Annotated Anodyne NC(=O)C1CCN(C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587547655 JI Annotated Anodyne NC(=O)C1CCN(C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587547657 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547733 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547735 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547736 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547737 JI Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587547853 JI Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587547860 JI Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587547862 JI Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587547868 JI Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc2O1 ZINC000587548144 JI Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc2O1 ZINC000587548145 JI Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc2O1 ZINC000587548146 JI Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc2O1 ZINC000587548147 JI Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc(Br)c1Br ZINC000587548162 JI Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc(Br)c1Br ZINC000587548164 JI Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc(Br)c1Br ZINC000587548165 JI Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc(Br)c1Br ZINC000587548167 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548293 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548294 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548295 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548296 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587548578 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587548581 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587548585 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587548591 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Br)cnc1Br ZINC000587548721 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Br)cnc1Br ZINC000587548727 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Br)cnc1Br ZINC000587548730 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Br)cnc1Br ZINC000587548732 JI Annotated Anodyne COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587549708 JI Annotated Anodyne COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587549709 JI Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587549784 JI Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587549786 JI Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587549788 JI Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587549790 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587549832 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587549835 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587549838 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587549840 JI Annotated Anodyne COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587549910 JI Annotated Anodyne COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587549911 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550020 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550021 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550022 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550023 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587550036 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587550037 JI Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587550038 JI Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587550039 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](NC(=O)C(F)(F)F)c1cc3c(cc12)OCO3 ZINC000587550298 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](NC(=O)C(F)(F)F)c1cc3c(cc12)OCO3 ZINC000587550299 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](NC(=O)C(F)(F)F)c1cc3c(cc12)OCO3 ZINC000587550300 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](NC(=O)C(F)(F)F)c1cc3c(cc12)OCO3 ZINC000587550301 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](NC(=O)C(F)(F)F)c1ccccc12 ZINC000587550596 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](NC(=O)C(F)(F)F)c1ccccc12 ZINC000587550597 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](NC(=O)C(F)(F)F)c1ccccc12 ZINC000587550598 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](NC(=O)C(F)(F)F)c1ccccc12 ZINC000587550599 JI Annotated Anodyne CN1CCO[C@H]([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587550924 JI Annotated Anodyne CN1CCO[C@H]([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587550926 JI Annotated Anodyne CN1CCO[C@H]([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587550929 JI Annotated Anodyne CN1CCO[C@H]([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587550930 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000587550996 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000587550997 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000587550998 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000587550999 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](NC(=O)C(F)(F)F)c1ccsc12 ZINC000587551358 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](NC(=O)C(F)(F)F)c1ccsc12 ZINC000587551362 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](NC(=O)C(F)(F)F)c1ccsc12 ZINC000587551363 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](NC(=O)C(F)(F)F)c1ccsc12 ZINC000587551364 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 ZINC000587551437 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 ZINC000587551438 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 ZINC000587551439 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 ZINC000587551440 JI Annotated Bother COC(=O)c1cc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2n1C ZINC000587551633 JI Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2n1C ZINC000587551634 JI Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2n1C ZINC000587551635 JI Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2n1C ZINC000587551636 JI Annotated Anodyne NC1CCN(CC[C@@]2(c3ccc(Cl)nc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587551979 JI Annotated Anodyne NC1CCN(CC[C@]2(c3ccc(Cl)nc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587551980 JI Annotated Anodyne NC1CCN(CC[C@@]2(c3ccc(Cl)nc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587551981 JI Annotated Anodyne NC1CCN(CC[C@]2(c3ccc(Cl)nc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587551982 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1cccnc1Cl)CC2 ZINC000587552125 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1cccnc1Cl)CC2 ZINC000587552126 JI Annotated Anodyne C[C@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553539 JI Annotated Unstable C[C@@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553541 JI Annotated Unstable C[C@@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553543 JI Annotated Unstable C[C@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553544 JI Annotated Unstable COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553904 JI Annotated Anodyne COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553910 JI Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553911 JI Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553913 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554023 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554024 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554025 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554027 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556073 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556075 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556077 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556080 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1nccc(C(F)(F)F)n1)CC2 ZINC000587556504 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1nccc(C(F)(F)F)n1)CC2 ZINC000587556506 JI Annotated Anodyne COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1O ZINC000587557311 JI Annotated Reactive COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1O ZINC000587557312 JI Annotated Reactive COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1O ZINC000587557313 JI Annotated Reactive COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1O ZINC000587557314 JI Annotated Reactive CC(=O)NCCc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587557673 JI Annotated Reactive CC(=O)NCCc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587557675 JI Annotated Reactive CC(=O)NCCc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587557676 JI Annotated Reactive CC(=O)NCCc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587557677 JI Annotated Reactive COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1S(=O)(=O)C(F)F ZINC000587558586 JI Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1S(=O)(=O)C(F)F ZINC000587558588 JI Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1S(=O)(=O)C(F)F ZINC000587558589 JI Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1S(=O)(=O)C(F)F ZINC000587558590 JI Annotated Anodyne CC(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587559872 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587559873 JI Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587559874 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587559875 JI Annotated Reactive CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587560280 JI Annotated Anodyne C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@@]21C ZINC000587560471 JI Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@@H]3CC[C@]21C ZINC000587560472 JI Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@]21C ZINC000587560473 JI Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@@H]3CC[C@]21C ZINC000587560474 JI Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@]21C ZINC000587560475 JI Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5nc(O)nc(O)c5cc4C[C@@]3(C)[C@@H]21 ZINC000587560733 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5nc(O)nc(O)c5cc4C[C@@]3(C)[C@H]21 ZINC000587560735 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5nc(O)nc(O)c5cc4C[C@]3(C)[C@H]21 ZINC000587560736 JI Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5nc(O)nc(O)c5cc4C[C@]3(C)[C@@H]21 ZINC000587560737 JI Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@H]1CC[C@@H]2C(=O)CO ZINC000587561356 JI Annotated Anodyne C[C@@]12CCC3=Cc4nc5nc(O)nc(O)c5cc4C[C@]3(C)[C@H]1CC[C@]1(C)[C@H](C(=O)CO)CC[C@H]21 ZINC000587561359 JI Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO ZINC000587561362 JI Annotated Anodyne C[C@@]12CCC3=Cc4nc5nc(O)nc(O)c5cc4C[C@]3(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@H]1C(=O)CO ZINC000587561364 JI Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000587561428 JI Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5cc6c(O)nc(O)nc6nc5[C@@H](C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587561494 JI Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5cc6c(O)nc(O)nc6nc5[C@H](C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000587561496 JI Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5cc6c(O)nc(O)nc6nc5[C@@H](C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000587561497 JI Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5cc6c(O)nc(O)nc6nc5[C@H](C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587561498 JI Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4Cc5cc6c(O)nc(O)nc6nc5[C@@]4(C)CC[C@@H]32)C1 ZINC000587561657 JI Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@]2(C)c4nc5nc(O)nc(O)c5cc4C[C@@H]32)C1 ZINC000587561692 JI Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@@]21C ZINC000587561870 JI Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000587562135 JI Annotated Mild C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2cc3c(O)nc(O)nc3nc21 ZINC000587562513 JI Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2cc3c(O)nc(O)nc3nc21 ZINC000587562514 JI Annotated Anodyne C/C=C(/NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2cc3c(O)nc(O)nc3nc21 ZINC000587562515 JI Annotated Anodyne C/C=C(\NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2cc3c(O)nc(O)nc3nc21 ZINC000587562516 JI Annotated Anodyne C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=Cc2nc4nc(O)nc(O)c4cc2C[C@@]13C ZINC000587562532 JI Annotated Anodyne CCCOc1ccn2c(-c3ccc4c(O)nc(O)nc4n3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587562760 JI Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563156 JI Annotated Anodyne C#CCOc1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1 ZINC000587564095 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc(C)cc3OC)[nH]c2c1 ZINC000587565019 JI Annotated Anodyne Cc1ccc(OCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587565400 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCOCc3ccccc3)nc1-2 ZINC000587565720 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587566210 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587566236 JI Annotated Anodyne CCCOc1cc2nc(CCOCCCOCCC(=O)OCC)[nH]c2cc1Br ZINC000587566238 JI Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587566256 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587566293 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587566356 JI Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587566357 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587566505 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587566508 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587566575 JI Annotated Anodyne CCCCOc1cc2nc(CCOCCCOCCC(=O)OCC)[nH]c2cc1Br ZINC000587566585 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587566588 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587566657 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587566659 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587566739 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(I)c1 ZINC000587566762 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(I)c1 ZINC000587566764 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(I)c1 ZINC000587566767 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(I)c1 ZINC000587566769 JI Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566782 JI Annotated Anodyne CCn1ncc(I)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566784 JI Annotated Anodyne CCn1ncc(I)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566787 JI Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566789 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587566879 JI Annotated Anodyne CCn1cc(I)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587566961 JI Annotated Anodyne CCn1cc(I)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587566963 JI Annotated Anodyne CCn1cc(I)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587566965 JI Annotated Anodyne CCn1cc(I)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587566967 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567589 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567590 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567591 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567592 JI Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567756 JI Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567757 JI Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567758 JI Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567759 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN([C@@H](C(=O)O)c1ccc(F)cc1)CC2 ZINC000587567840 JI Annotated Anodyne O=C(O)[C@@H](c1ccc(F)cc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587567846 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1O ZINC000587567911 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1O ZINC000587567913 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1O ZINC000587567914 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1O ZINC000587567915 JI Annotated Anodyne O=C(O)[C@H](c1ccc(F)cc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568056 JI Annotated Anodyne O=C(O)[C@H](c1ccc(F)cc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568057 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(I)ccnc1F ZINC000587568214 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(I)ccnc1F ZINC000587568217 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(I)ccnc1F ZINC000587568219 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(I)ccnc1F ZINC000587568221 JI Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587568426 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)cc(F)cc12 ZINC000587568925 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)cc(F)cc12 ZINC000587568926 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)cc(F)cc12 ZINC000587568927 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)cc(F)cc12 ZINC000587568928 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCc1ccccc1)C[C@@H]2F ZINC000587569031 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCc1ccccc1)C[C@@H]2F ZINC000587569032 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCc1ccccc1)C[C@H]2F ZINC000587569033 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCc1ccccc1)C[C@H]2F ZINC000587569034 JI Annotated Anodyne COc1cc(I)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587569805 JI Annotated Anodyne COc1cc(I)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587569806 JI Annotated Anodyne COc1cc(I)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587569807 JI Annotated Anodyne COc1cc(I)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587569808 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(I)s1 ZINC000587570205 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(I)s1 ZINC000587570206 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(I)s1 ZINC000587570207 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(I)s1 ZINC000587570208 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)ccc(Br)c12 ZINC000587570221 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)ccc(Br)c12 ZINC000587570222 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)ccc(Br)c12 ZINC000587570223 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)ccc(Br)c12 ZINC000587570224 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(I)c1O ZINC000587570269 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(I)c1O ZINC000587570270 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(I)c1O ZINC000587570271 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(I)c1O ZINC000587570272 JI Annotated Anodyne O=C(O)c1cc(I)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570273 JI Annotated Anodyne O=C(O)c1cc(I)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570279 JI Annotated Anodyne O=C(O)c1cc(I)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570281 JI Annotated Anodyne O=C(O)c1cc(I)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570283 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587570534 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587570535 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587570536 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587570538 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1I ZINC000587570625 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1I ZINC000587570626 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1I ZINC000587570627 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1I ZINC000587570628 JI Annotated Anodyne CN(C)c1nccc(I)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570645 JI Annotated Anodyne CN(C)c1nccc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570646 JI Annotated Anodyne CN(C)c1nccc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570647 JI Annotated Anodyne CN(C)c1nccc(I)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570648 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)ccc(F)c12 ZINC000587570686 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)ccc(F)c12 ZINC000587570688 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)ccc(F)c12 ZINC000587570689 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)ccc(F)c12 ZINC000587570691 JI Annotated Anodyne C[C@]1(c2cc(I)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571199 JI Annotated Anodyne C[C@@]1(c2cc(I)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571204 JI Annotated Anodyne C[C@@]1(c2cc(I)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571206 JI Annotated Anodyne C[C@]1(c2cc(I)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571208 JI Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O[C@H](C)C(=O)N(C)C ZINC000587571467 JI Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587571471 JI Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O[C@H](C)C(=O)N(C)C ZINC000587571472 JI Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587571476 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587571546 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587571548 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587571550 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587571554 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587571726 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587571727 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587571728 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587571729 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c(Br)cc12 ZINC000587571754 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c(Br)cc12 ZINC000587571755 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c(Br)cc12 ZINC000587571756 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c(Br)cc12 ZINC000587571757 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](C[C@@H]1CCOC1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571801 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](C[C@@H]1CCOC1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571802 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](C[C@@H]1CCOC1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571803 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](C[C@@H]1CCOC1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571804 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571817 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571818 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571819 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571820 JI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(I)c1O ZINC000587571899 JI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(I)c1O ZINC000587571904 JI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(I)c1O ZINC000587571906 JI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(I)c1O ZINC000587571907 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cc(Br)cc12 ZINC000587572142 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cc(Br)cc12 ZINC000587572144 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cc(Br)cc12 ZINC000587572146 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cc(Br)cc12 ZINC000587572149 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)c(O)c1 ZINC000587572257 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)c(O)c1 ZINC000587572258 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)c(O)c1 ZINC000587572259 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)c(O)c1 ZINC000587572260 JI Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572319 JI Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572320 JI Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572321 JI Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572322 JI Annotated Anodyne CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572391 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572392 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572393 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572394 JI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1I ZINC000587572587 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1I ZINC000587572588 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1I ZINC000587572589 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1I ZINC000587572590 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cccc(F)c2)nn2cc[nH]c(=O)c12 ZINC000587572639 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cccc(F)c2)nn2cc[nH]c(=O)c12 ZINC000587572640 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cccc(F)c2)nn2cc[nH]c(=O)c12 ZINC000587572641 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cccc(F)c2)nn2cc[nH]c(=O)c12 ZINC000587572642 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572705 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572706 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572707 JI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572708 JI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572709 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572710 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1O ZINC000587572880 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1O ZINC000587572881 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1O ZINC000587572884 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1O ZINC000587572886 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)ccc1O ZINC000587572942 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)ccc1O ZINC000587572944 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)ccc1O ZINC000587572945 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)ccc1O ZINC000587572946 JI Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587573160 JI Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587573161 JI Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587573162 JI Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587573163 JI Annotated Anodyne COc1nccc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573186 JI Annotated Anodyne COc1nccc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573187 JI Annotated Anodyne COc1nccc(I)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573189 JI Annotated Anodyne COc1nccc(I)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573191 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cn(-c2ccc(F)cc2)nn1 ZINC000587573679 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cn(-c2ccc(F)cc2)nn1 ZINC000587573680 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cn(-c2ccc(F)cc2)nn1 ZINC000587573681 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cn(-c2ccc(F)cc2)nn1 ZINC000587573682 JI Annotated Reactive CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587573722 JI Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587573723 JI Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587573724 JI Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587573725 JI Annotated Bother COc1cc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587573846 JI Annotated Bother COc1cc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587573852 JI Annotated Bother CC(C)(C)OC(=O)NC[C@@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573894 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573899 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573900 JI Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573901 JI Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587574143 JI Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587574147 JI Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587574148 JI Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587574149 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCn2cc([N+](=O)[O-])cn2)c1 ZINC000587574665 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCn2cc([N+](=O)[O-])cn2)c1 ZINC000587574666 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCn2cc([N+](=O)[O-])cn2)c1 ZINC000587574667 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCn2cc([N+](=O)[O-])cn2)c1 ZINC000587574668 JI Annotated Bother COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000587574689 JI Annotated Bother COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000587574690 JI Annotated Bother COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000587574691 JI Annotated Bother COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000587574692 JI Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587575045 JI Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587575047 JI Annotated Bother O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587575049 JI Annotated Bother O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587575051 JI Annotated Bother Nc1ccc(O)c2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587575123 JI Annotated Anodyne Nc1ccc(O)c2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587575124 JI Annotated Anodyne Nc1ccc(O)c2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587575125 JI Annotated Anodyne Nc1ccc(O)c2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587575126 JI Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575211 JI Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575212 JI Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575213 JI Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575214 JI Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575311 JI Annotated Bother C[C@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575312 JI Annotated Bother C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575313 JI Annotated Bother C[C@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575314 JI Annotated Bother CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575770 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575771 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575772 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575773 JI Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576172 JI Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576185 JI Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576190 JI Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576194 JI Annotated Anodyne O=C(Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)NC1CC1 ZINC000587576224 JI Annotated Anodyne O=C(Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)NC1CC1 ZINC000587576227 JI Annotated Anodyne O=C(Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)NC1CC1 ZINC000587576229 JI Annotated Anodyne O=C(Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)NC1CC1 ZINC000587576232 JI Annotated Anodyne CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576387 JI Annotated Bother C[C@H](Oc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)NN ZINC000587576389 JI Annotated Reactive CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576390 JI Annotated Bother CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576391 JI Annotated Bother CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576392 JI Annotated Bother C[C@H](Oc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)NN ZINC000587576398 JI Annotated Reactive C[C@H](Oc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)NN ZINC000587576399 JI Annotated Reactive C[C@H](Oc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)NN ZINC000587576400 JI Annotated Reactive Nc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576429 JI Annotated Anodyne Nc1ccc2c(c1N)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576430 JI Annotated Anodyne Nc1ccc2c(c1N)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576431 JI Annotated Anodyne Nc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576432 JI Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576445 JI Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576452 JI Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576455 JI Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576458 JI Annotated Anodyne C[C@@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576646 JI Annotated Mild C[C@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576648 JI Annotated Mild C[C@@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576649 JI Annotated Mild C[C@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576651 JI Annotated Mild O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576657 JI Annotated Bother O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576659 JI Annotated Bother O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576661 JI Annotated Bother O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576663 JI Annotated Bother Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587576896 JI Annotated Bother Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587576905 JI Annotated Bother Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587576906 JI Annotated Bother Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587576908 JI Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587576940 JI Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587576941 JI Annotated Bother O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587576942 JI Annotated Bother O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587576943 JI Annotated Bother Nc1cccc2c1C(=O)c1cccc(N)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576964 JI Annotated Anodyne Nc1cccc2c1C(=O)c1cccc(N)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576965 JI Annotated Anodyne Nc1cccc2c1C(=O)c1cccc(N)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576966 JI Annotated Anodyne Nc1cccc2c1C(=O)c1cccc(N)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576967 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577179 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577180 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577182 JI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577184 JI Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577308 JI Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577311 JI Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577314 JI Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577316 JI Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577318 JI Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577319 JI Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577321 JI Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577323 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577326 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577329 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577331 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577333 JI Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577400 JI Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577401 JI Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577402 JI Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577403 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587577613 JI Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587577616 JI Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587577618 JI Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587577619 JI Annotated Bother C[C@@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577629 JI Annotated Anodyne COC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587577631 JI Annotated Bother C[C@@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577632 JI Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577634 JI Annotated Anodyne COC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587577635 JI Annotated Bother C[C@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577636 JI Annotated Anodyne COC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587577637 JI Annotated Bother COC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587577640 JI Annotated Bother Cc1nn(Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(C)c1[N+](=O)[O-] ZINC000587577667 JI Annotated Bother Cc1nn(Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c(C)c1[N+](=O)[O-] ZINC000587577682 JI Annotated Bother Cc1nn(Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(C)c1[N+](=O)[O-] ZINC000587577683 JI Annotated Bother Cc1nn(Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c(C)c1[N+](=O)[O-] ZINC000587577685 JI Annotated Bother COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577722 JI Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577724 JI Annotated Anodyne COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577726 JI Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577728 JI Annotated Anodyne COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577730 JI Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577733 JI Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577734 JI Annotated Anodyne COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577736 JI Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577748 JI Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577750 JI Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577751 JI Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577752 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCn2ccc([N+](=O)[O-])n2)cc1 ZINC000587578070 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCn2ccc([N+](=O)[O-])n2)cc1 ZINC000587578071 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCn2ccc([N+](=O)[O-])n2)cc1 ZINC000587578072 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCn2ccc([N+](=O)[O-])n2)cc1 ZINC000587578073 JI Annotated Bother CC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587578084 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587578085 JI Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)NCc1ccco1 ZINC000587578218 JI Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)NCc1ccco1 ZINC000587578219 JI Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)NCc1ccco1 ZINC000587578220 JI Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)NCc1ccco1 ZINC000587578221 JI Annotated Anodyne Nc1ncc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1C(=O)O ZINC000587578739 JI Annotated Anodyne Nc1ncc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1C(=O)O ZINC000587578741 JI Annotated Anodyne Nc1ncc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1C(=O)O ZINC000587578742 JI Annotated Anodyne Nc1ncc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1C(=O)O ZINC000587578743 JI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587578802 JI Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587578807 JI Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587578809 JI Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587578811 JI Annotated Bother Cn1cc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1/C=C\C(=O)NO ZINC000587578935 JI Annotated Bother Cn1cc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1/C=C/C(=O)NO ZINC000587578937 JI Annotated Bother Cn1cc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1/C=C/C(=O)NO ZINC000587578942 JI Annotated Bother Cn1cc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1/C=C\C(=O)NO ZINC000587578943 JI Annotated Bother Cn1cc(C(=O)Oc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587578963 JI Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587578964 JI Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587578965 JI Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587578966 JI Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579075 JI Annotated Bother CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579077 JI Annotated Bother CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579078 JI Annotated Bother CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579079 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1 ZINC000587579319 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1 ZINC000587579320 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1 ZINC000587579322 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1 ZINC000587579324 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 ZINC000587579414 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 ZINC000587579415 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 ZINC000587579416 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 ZINC000587579417 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1 ZINC000587579418 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1 ZINC000587579419 JI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1 ZINC000587579420 JI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1 ZINC000587579421 JI Annotated Bother Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579690 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579693 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579695 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579696 JI Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579784 JI Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579785 JI Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579786 JI Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579787 JI Annotated Anodyne NC(=O)c1ccccc1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587579796 JI Annotated Anodyne NC(=O)c1ccccc1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587579797 JI Annotated Anodyne NC(=O)c1ccccc1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587579798 JI Annotated Anodyne NC(=O)c1ccccc1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587579799 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579860 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579861 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579862 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579863 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580548 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580549 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580550 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580551 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587580644 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587580645 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587580646 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587580647 JI Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580756 JI Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580758 JI Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580760 JI Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580763 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587580838 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587580847 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587580852 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587580857 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580881 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580890 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580892 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580894 JI Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C ZINC000587581079 JI Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C ZINC000587581082 JI Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C ZINC000587581084 JI Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C ZINC000587581086 JI Annotated Anodyne Nc1ccc2c(c1N)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587581248 JI Annotated Anodyne Nc1ccc2c(c1N)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587581249 JI Annotated Anodyne Nc1ccc2c(c1N)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587581250 JI Annotated Anodyne Nc1ccc2c(c1N)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587581251 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581557 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581559 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581560 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581562 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587581651 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587581652 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587581653 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587581654 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581867 JI Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581871 JI Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581873 JI Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581875 JI Annotated Mild Nc1c(C(=O)O)ccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587582264 JI Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582265 JI Annotated Anodyne Nc1c(C(=O)O)ccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587582266 JI Annotated Anodyne Nc1c(C(=O)O)ccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587582267 JI Annotated Anodyne Nc1c(C(=O)O)ccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587582268 JI Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582274 JI Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582276 JI Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582277 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582528 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582529 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582530 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582531 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(N1C(=O)c3ccccc3C1=O)CC2 ZINC000587582540 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(N1C(=O)c3ccccc3C1=O)CC2 ZINC000587582541 JI Annotated Anodyne CN(C)/C=C\[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582896 JI Annotated Anodyne CN(C)/C=C/[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582897 JI Annotated Anodyne CN(C)/C=C/[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582898 JI Annotated Anodyne CN(C)/C=C\[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582899 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587582904 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587582905 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587582906 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587582907 JI Annotated Anodyne O=C(CN1CCC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1)OCc1ccccc1 ZINC000587582922 JI Annotated Anodyne O=C(CN1CCC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1)OCc1ccccc1 ZINC000587582923 JI Annotated Anodyne O=C(CN1CCC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1)OCc1ccccc1 ZINC000587582924 JI Annotated Anodyne O=C(CN1CCC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1)OCc1ccccc1 ZINC000587582925 JI Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582946 JI Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582947 JI Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@@]1(CC3(CCNCC3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582948 JI Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@]1(CC3(CCNCC3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582949 JI Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@]1(CC3(CCNCC3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582950 JI Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@@]1(CC3(CCNCC3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582951 JI Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583017 JI Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583018 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583062 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583064 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583065 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583066 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583072 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583073 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583074 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583075 JI Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583102 JI Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583103 JI Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583104 JI Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583105 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587583110 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587583111 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587583112 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587583113 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587583128 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587583129 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587583130 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587583131 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587583140 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587583141 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587583142 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587583143 JI Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1OC ZINC000587583507 JI Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1OC ZINC000587583513 JI Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1OC ZINC000587583516 JI Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1OC ZINC000587583518 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](N1C(=O)c3ccccc3C1=O)C2 ZINC000587583535 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](N1C(=O)c3ccccc3C1=O)C2 ZINC000587583538 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](N1C(=O)c3ccccc3C1=O)C2 ZINC000587583539 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](N1C(=O)c3ccccc3C1=O)C2 ZINC000587583540 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1(C)C ZINC000587583790 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1(C)C ZINC000587583791 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1(C)C ZINC000587583792 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1(C)C ZINC000587583793 JI Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583808 JI Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583809 JI Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583810 JI Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583812 JI Annotated Anodyne N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583842 JI Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583846 JI Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583849 JI Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583852 JI Annotated Mild CN(C)/C=C1/CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584062 JI Annotated Anodyne CN(C)/C=C1\CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584063 JI Annotated Anodyne CN(C)/C=C1/CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584064 JI Annotated Anodyne CN(C)/C=C1\CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584065 JI Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584395 JI Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584396 JI Annotated Anodyne COC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584409 JI Annotated Anodyne COC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584410 JI Annotated Anodyne COC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584411 JI Annotated Anodyne COC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584412 JI Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584807 JI Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584810 JI Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584812 JI Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584813 JI Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585116 JI Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585118 JI Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585119 JI Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585122 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585322 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585323 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585324 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585325 JI Annotated Anodyne C[C@@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585521 JI Annotated Anodyne C[C@@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585522 JI Annotated Anodyne C[C@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585523 JI Annotated Anodyne C[C@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585524 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H](C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585573 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H](C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585574 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585575 JI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585576 JI Annotated Anodyne Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585681 JI Annotated Anodyne Cc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585683 JI Annotated Anodyne Cc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585685 JI Annotated Anodyne Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585687 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587585980 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587585986 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587585988 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587585990 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586060 JI Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586063 JI Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586064 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586065 JI Annotated Anodyne C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586460 JI Annotated Anodyne C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586463 JI Annotated Anodyne C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586464 JI Annotated Anodyne C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586465 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@@H]2Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)OCO3)n1 ZINC000587586889 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@H]2Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)OCO3)n1 ZINC000587586890 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@@H]2Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)OCO3)n1 ZINC000587586891 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@H]2Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)OCO3)n1 ZINC000587586892 JI Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587229 JI Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587230 JI Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587231 JI Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587235 JI Annotated Anodyne Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587580 JI Annotated Anodyne Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587590 JI Annotated Anodyne Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587591 JI Annotated Anodyne Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587593 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587587691 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587587697 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587587701 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587587703 JI Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588285 JI Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588286 JI Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588287 JI Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588288 JI Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588408 JI Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588409 JI Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588410 JI Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588411 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588445 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588450 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588452 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588454 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nn2cc[nH]c(=O)c12 ZINC000587588575 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nn2cc[nH]c(=O)c12 ZINC000587588576 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nn2cc[nH]c(=O)c12 ZINC000587588577 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nn2cc[nH]c(=O)c12 ZINC000587588578 JI Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588766 JI Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588768 JI Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588769 JI Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588771 JI Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588786 JI Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588788 JI Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588789 JI Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588790 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCCCC2)nc2ccccn2c1=O ZINC000587589003 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCCCC2)nc2ccccn2c1=O ZINC000587589005 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCCCC2)nc2ccccn2c1=O ZINC000587589008 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCCCC2)nc2ccccn2c1=O ZINC000587589010 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589585 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589586 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589587 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589588 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589589 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589590 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589591 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589592 JI Annotated Anodyne COc1cc(OC)c2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(=O)O)[nH]c2c1 ZINC000587589677 JI Annotated Anodyne COc1cc(OC)c2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(=O)O)[nH]c2c1 ZINC000587589678 JI Annotated Anodyne COc1cc(OC)c2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(=O)O)[nH]c2c1 ZINC000587589679 JI Annotated Anodyne COc1cc(OC)c2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(=O)O)[nH]c2c1 ZINC000587589680 JI Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589713 JI Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589714 JI Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589715 JI Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589716 JI Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587589809 JI Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587589812 JI Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587589813 JI Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587589814 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1=O ZINC000587590407 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1=O ZINC000587590408 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1=O ZINC000587590409 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1=O ZINC000587590410 JI Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590768 JI Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590769 JI Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590770 JI Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590772 JI Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O[C@H](C)C(=O)O ZINC000587591252 JI Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O[C@@H](C)C(=O)O ZINC000587591253 JI Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O[C@H](C)C(=O)O ZINC000587591254 JI Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O[C@@H](C)C(=O)O ZINC000587591255 JI Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587591543 JI Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587591546 JI Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587591550 JI Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587591553 JI Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591649 JI Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591651 JI Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591740 JI Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591743 JI Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587591949 JI Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587591951 JI Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587591959 JI Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587591961 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC(=O)N1CCCCC1 ZINC000587592026 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC(=O)N1CCCCC1 ZINC000587592027 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC(=O)N1CCCCC1 ZINC000587592028 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC(=O)N1CCCCC1 ZINC000587592029 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592709 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592710 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592711 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592712 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC000587593177 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC000587593178 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC000587593179 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC000587593180 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](CN1CCOCC1)CC2 ZINC000587593185 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](CN1CCOCC1)CC2 ZINC000587593186 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](CN1CCOCC1)CC2 ZINC000587593187 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](CN1CCOCC1)CC2 ZINC000587593188 JI Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(=O)O ZINC000587593463 JI Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(=O)O ZINC000587593464 JI Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(=O)O ZINC000587593465 JI Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(=O)O ZINC000587593466 JI Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587593874 JI Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587593875 JI Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587593878 JI Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587593881 JI Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594072 JI Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594075 JI Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594077 JI Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594080 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594085 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594087 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594089 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594091 JI Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587594157 JI Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587594158 JI Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587594159 JI Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587594160 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594369 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594370 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594371 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594372 JI Annotated Anodyne CCOC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587594658 JI Annotated Anodyne CCOC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587594668 JI Annotated Anodyne CCOC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587594669 JI Annotated Anodyne CCOC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587594671 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000587594689 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000587594690 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000587594691 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000587594692 JI Annotated Anodyne CN1CCN(c2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)CC1 ZINC000587595055 JI Annotated Anodyne CN1CCN(c2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)CC1 ZINC000587595057 JI Annotated Anodyne CN1CCN(c2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)CC1 ZINC000587595059 JI Annotated Anodyne CN1CCN(c2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)CC1 ZINC000587595061 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOC(C)=O ZINC000587595222 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOC(C)=O ZINC000587595223 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOC(C)=O ZINC000587595224 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOC(C)=O ZINC000587595225 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595258 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595259 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595260 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595261 JI Annotated Anodyne N#Cc1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn(C2CC2)c1=O ZINC000587596046 JI Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn(C2CC2)c1=O ZINC000587596049 JI Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn(C2CC2)c1=O ZINC000587596053 JI Annotated Mild N#Cc1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn(C2CC2)c1=O ZINC000587596055 JI Annotated Mild CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O)C[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596126 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O)C[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596129 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587596185 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587596187 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587596189 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587596191 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587596193 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587596195 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587596197 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587596199 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587596216 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587596220 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587596222 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587596224 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCOCC1 ZINC000587596490 JI Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCOCC1 ZINC000587596493 JI Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCOCC1 ZINC000587596495 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCOCC1 ZINC000587596497 JI Annotated Anodyne COc1ccc(OC)c([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596867 JI Annotated Anodyne COc1ccc(OC)c([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596869 JI Annotated Anodyne COc1ccc(OC)c([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596871 JI Annotated Anodyne COc1ccc(OC)c([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596873 JI Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(CCC(=O)O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587597422 JI Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@]3(CCC(=O)O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587597426 JI Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@]3(CCC(=O)O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587597428 JI Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(CCC(=O)O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587597430 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597551 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597555 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597558 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597559 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCC1 ZINC000587597657 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCC1 ZINC000587597660 JI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCC1 ZINC000587597662 JI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCC1 ZINC000587597665 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587597741 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587597744 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587597745 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587597746 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597795 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597797 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597801 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597804 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598102 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598103 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598104 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598106 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1C[C@H]2CN(C(=O)OCc2ccccc2)C1 ZINC000587598151 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1C[C@H]2CN(C(=O)OCc2ccccc2)C1 ZINC000587598154 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598571 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598576 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598580 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598585 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)N1C(=O)OC(C)(C)C ZINC000587598661 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)N1C(=O)OC(C)(C)C ZINC000587598662 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)N1C(=O)OC(C)(C)C ZINC000587598663 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)N1C(=O)OC(C)(C)C ZINC000587598664 JI Annotated Anodyne CC(C)(C)C(=O)N1CCOc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587598673 JI Annotated Anodyne CC(C)(C)C(=O)N1CCOc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587598674 JI Annotated Anodyne CC(C)(C)C(=O)N1CCOc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587598675 JI Annotated Anodyne CC(C)(C)C(=O)N1CCOc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587598676 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598808 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598810 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598813 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598815 JI Annotated Anodyne CCOC(=O)COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587598866 JI Annotated Anodyne CCOC(=O)COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587598867 JI Annotated Anodyne CCOC(=O)COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587598869 JI Annotated Anodyne CCOC(=O)COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587598871 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599075 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599076 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599077 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599078 JI Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587599083 JI Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587599084 JI Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587599085 JI Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587599086 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC3(CC2)OCCO3)cc1 ZINC000587599101 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC3(CC2)OCCO3)cc1 ZINC000587599102 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC3(CC2)OCCO3)cc1 ZINC000587599103 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC3(CC2)OCCO3)cc1 ZINC000587599104 JI Annotated Anodyne CCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587600442 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587600444 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587600445 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587600446 JI Annotated Mild COc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601810 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601811 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601813 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601815 JI Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587602250 JI Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587602251 JI Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587602252 JI Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587602253 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602422 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602423 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602424 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602425 JI Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603754 JI Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603755 JI Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603756 JI Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603757 JI Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604919 JI Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604920 JI Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604921 JI Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604922 JI Annotated Anodyne CS(=O)(=O)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605015 JI Annotated Anodyne CS(=O)(=O)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605033 JI Annotated Anodyne CS(=O)(=O)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605035 JI Annotated Anodyne CS(=O)(=O)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605037 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000587605279 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000587605280 JI Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605408 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605415 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605416 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605417 JI Annotated Reactive CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587605459 JI Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587605460 JI Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587605461 JI Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587605462 JI Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605551 JI Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605552 JI Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605553 JI Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605554 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606055 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606056 JI Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606057 JI Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606058 JI Annotated Anodyne C[C@@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606106 JI Annotated Anodyne C[C@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606107 JI Annotated Anodyne C[C@@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606108 JI Annotated Anodyne C[C@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606109 JI Annotated Anodyne C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606110 JI Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606114 JI Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606253 JI Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606254 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000587606595 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000587606596 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000587606598 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000587606600 JI Annotated Anodyne CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606608 JI Annotated Reactive CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606614 JI Annotated Reactive CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606616 JI Annotated Reactive CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606618 JI Annotated Reactive Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606872 JI Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606875 JI Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606877 JI Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606879 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587606895 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587606896 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587606897 JI Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587606898 JI Annotated Anodyne C[C@@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606931 JI Annotated Anodyne C[C@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606932 JI Annotated Anodyne C[C@@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606933 JI Annotated Anodyne C[C@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606934 JI Annotated Anodyne C[C@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606935 JI Annotated Anodyne C[C@@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606936 JI Annotated Anodyne C[C@@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606937 JI Annotated Anodyne C[C@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606938 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606973 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606974 JI Annotated Anodyne CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607081 JI Annotated Anodyne CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607082 JI Annotated Anodyne CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607083 JI Annotated Anodyne CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607084 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607113 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607115 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607255 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607256 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607257 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607258 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607516 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607518 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607519 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607521 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1nnnn1-c1ccccc1)c1ccc[nH]1 ZINC000587607523 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nnnn1-c1ccccc1)c1ccc[nH]1 ZINC000587607526 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nnnn1-c1ccccc1)c1ccc[nH]1 ZINC000587607527 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nnnn1-c1ccccc1)c1ccc[nH]1 ZINC000587607529 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587607675 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587607676 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587607677 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587607678 JI Annotated Anodyne O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607786 JI Annotated Unstable O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607793 JI Annotated Unstable O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607795 JI Annotated Unstable O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607797 JI Annotated Unstable O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)c(O)c21 ZINC000587607879 JI Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)c(O)c21 ZINC000587607885 JI Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)c(O)c21 ZINC000587607892 JI Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)c(O)c21 ZINC000587607894 JI Annotated Clean CS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607905 JI Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607908 JI Annotated Reactive CS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607910 JI Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607911 JI Annotated Reactive O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587608061 JI Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587608066 JI Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608110 JI Annotated Anodyne O=C(O)CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608111 JI Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608112 JI Annotated Anodyne O=C(O)CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608113 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587608220 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587608221 JI Annotated Anodyne NS(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587608399 JI Annotated Anodyne NS(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587608406 JI Annotated Anodyne NS(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587608407 JI Annotated Anodyne NS(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587608408 JI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608474 JI Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608475 JI Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608476 JI Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608477 JI Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608478 JI Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608479 JI Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608480 JI Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608481 JI Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608482 JI Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608483 JI Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608484 JI Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608485 JI Annotated Unstable CCS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587608490 JI Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587608491 JI Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587608492 JI Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587608493 JI Annotated Reactive O=C1c2cccc(O)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587608522 JI Annotated Anodyne O=C1c2cccc(O)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587608523 JI Annotated Anodyne O=C1c2cccc(O)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587608524 JI Annotated Anodyne O=C1c2cccc(O)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587608525 JI Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CO)ccc21 ZINC000587608566 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CO)ccc21 ZINC000587608567 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CO)ccc21 ZINC000587608568 JI Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CO)ccc21 ZINC000587608569 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCC(C)(C)CO3 ZINC000587608663 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCC(C)(C)CO3 ZINC000587608676 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCC(C)(C)CO3 ZINC000587608679 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCC(C)(C)CO3 ZINC000587608681 JI Annotated Anodyne CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608744 JI Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608745 JI Annotated Anodyne CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608747 JI Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608749 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608750 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608759 JI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608761 JI Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608762 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1ccc(O)c2O ZINC000587608822 JI Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1ccc(O)c2O ZINC000587608823 JI Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1ccc(O)c2O ZINC000587608824 JI Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1ccc(O)c2O ZINC000587608825 JI Annotated Clean CS(=O)(=O)N1CCCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587608950 JI Annotated Reactive CS(=O)(=O)N1CCCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587608952 JI Annotated Reactive CS(=O)(=O)N1CCCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587608954 JI Annotated Reactive CS(=O)(=O)N1CCCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587608956 JI Annotated Reactive CCN(c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587608995 JI Annotated Reactive CCN(c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587609004 JI Annotated Reactive CCN(c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587609005 JI Annotated Reactive CCN(c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587609006 JI Annotated Reactive Cn1ccnc1SC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609092 JI Annotated Anodyne Cn1ccnc1SC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609094 JI Annotated Anodyne Cn1ccnc1SC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609096 JI Annotated Anodyne Cn1ccnc1SC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609098 JI Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)OC(C)(C)O1 ZINC000587609198 JI Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)OC(C)(C)O1 ZINC000587609199 JI Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)OC(C)(C)O1 ZINC000587609200 JI Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)OC(C)(C)O1 ZINC000587609201 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(O)cc(O)c1C2=O ZINC000587609242 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(O)cc(O)c1C2=O ZINC000587609243 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(O)cc(O)c1C2=O ZINC000587609244 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(O)cc(O)c1C2=O ZINC000587609245 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Oc2ccccc2)cc1)C(O)O ZINC000587609266 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Oc2ccccc2)cc1)C(O)O ZINC000587609267 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Oc2ccccc2)cc1)C(O)O ZINC000587609268 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Oc2ccccc2)cc1)C(O)O ZINC000587609269 JI Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587609287 JI Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587609289 JI Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587609290 JI Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587609292 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609893 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609897 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609900 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609902 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609981 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609982 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609984 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609986 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(O)c(O)c1O ZINC000587610037 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(O)c(O)c1O ZINC000587610042 JI Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(O)c(O)c1O ZINC000587610043 JI Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(O)c(O)c1O ZINC000587610044 JI Annotated Clean O=C(O)CC[C@@]1(c2ccc3c(c2)OCCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610127 JI Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)OCCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610129 JI Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)OCCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610131 JI Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)OCCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610133 JI Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SCC(=O)O ZINC000587610225 JI Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CO)cc21 ZINC000587610229 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CO)cc21 ZINC000587610232 JI Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CO)cc21 ZINC000587610234 JI Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CO)cc21 ZINC000587610235 JI Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SCC(=O)O ZINC000587610236 JI Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SCC(=O)O ZINC000587610237 JI Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SCC(=O)O ZINC000587610241 JI Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587610259 JI Annotated Reactive CS(=O)(=O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587610263 JI Annotated Reactive CS(=O)(=O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587610268 JI Annotated Reactive CS(=O)(=O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587610273 JI Annotated Reactive C[C@@H]1Cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1S(C)(=O)=O ZINC000587610302 JI Annotated Reactive C[C@@H]1Cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1S(C)(=O)=O ZINC000587610305 JI Annotated Reactive C[C@@H]1Cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1S(C)(=O)=O ZINC000587610308 JI Annotated Reactive C[C@@H]1Cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1S(C)(=O)=O ZINC000587610311 JI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCC(O)CC2)nc1Cl ZINC000587610432 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCC(O)CC2)nc1Cl ZINC000587610433 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCC(O)CC2)nc1Cl ZINC000587610434 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCC(O)CC2)nc1Cl ZINC000587610437 JI Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610801 JI Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610803 JI Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610806 JI Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610809 JI Annotated Reactive Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610887 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610899 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610900 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610903 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nnnn1C ZINC000587611075 JI Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nnnn1C ZINC000587611077 JI Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nnnn1C ZINC000587611078 JI Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nnnn1C ZINC000587611079 JI Annotated Anodyne CC(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611117 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587611119 JI Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611121 JI Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587611123 JI Annotated Reactive Cc1nc(SCC(=O)O)c(C#N)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611568 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611569 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611570 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611571 JI Annotated Mild Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611775 JI Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611784 JI Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611786 JI Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611789 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612361 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612366 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612367 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612368 JI Annotated Anodyne O=C1c2cc(O)ccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc21 ZINC000587612378 JI Annotated Anodyne O=C1c2cc(O)ccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc21 ZINC000587612379 JI Annotated Anodyne O=C1c2cc(O)ccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc21 ZINC000587612380 JI Annotated Anodyne O=C1c2cc(O)ccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc21 ZINC000587612381 JI Annotated Anodyne O=C1c2cccc(O)c2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587612386 JI Annotated Anodyne O=C1c2cccc(O)c2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587612387 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccc(O)cc1O)c1ccc(O)cc1O ZINC000587612449 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccc(O)cc1O)c1ccc(O)cc1O ZINC000587612450 JI Annotated Anodyne Cn1c(N)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1=S ZINC000587612889 JI Annotated Anodyne Cn1c(N)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1=S ZINC000587612890 JI Annotated Anodyne Cn1c(N)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1=S ZINC000587612891 JI Annotated Anodyne Cn1c(N)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1=S ZINC000587612892 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1ccc(Br)cc12 ZINC000587612893 JI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1ccc(Br)cc12 ZINC000587612899 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1ccc(Br)cc12 ZINC000587612901 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1ccc(Br)cc12 ZINC000587612903 JI Annotated Anodyne O=C1CCN(c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)CC1 ZINC000587613061 JI Annotated Anodyne O=C1CCN(c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)CC1 ZINC000587613070 JI Annotated Anodyne O=C1CCN(c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)CC1 ZINC000587613071 JI Annotated Anodyne O=C1CCN(c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)CC1 ZINC000587613073 JI Annotated Anodyne O=C1c2c(O)cccc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587613370 JI Annotated Anodyne O=C1c2c(O)cccc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587613372 JI Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613527 JI Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613528 JI Annotated Anodyne CNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613529 JI Annotated Anodyne CNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613530 JI Annotated Anodyne C[C@@H]1CN(c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)S(=O)(=O)C1 ZINC000587613634 JI Annotated Anodyne C[C@@H]1CN(c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)S(=O)(=O)C1 ZINC000587613635 JI Annotated Anodyne C[C@@H]1CN(c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)S(=O)(=O)C1 ZINC000587613636 JI Annotated Anodyne C[C@@H]1CN(c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)S(=O)(=O)C1 ZINC000587613637 JI Annotated Anodyne CC(=O)Nc1sc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C(=O)O ZINC000587614318 JI Annotated Anodyne CC(=O)Nc1sc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C(=O)O ZINC000587614319 JI Annotated Anodyne CC(=O)Nc1sc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C(=O)O ZINC000587614320 JI Annotated Anodyne CC(=O)Nc1sc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C(=O)O ZINC000587614321 JI Annotated Anodyne O=Cc1sc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)nc1Cl ZINC000587614483 JI Annotated Anodyne O=Cc1sc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)nc1Cl ZINC000587614491 JI Annotated Anodyne Cn1cnnc1Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587614842 JI Annotated Bother Cn1cnnc1Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587614843 JI Annotated Bother Cn1cnnc1Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587614844 JI Annotated Bother Cn1cnnc1Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587614845 JI Annotated Bother COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614861 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614863 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614865 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614867 JI Annotated Anodyne COC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615362 JI Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615371 JI Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615374 JI Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615376 JI Annotated Reactive N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615844 JI Annotated Mild N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615846 JI Annotated Mild N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615848 JI Annotated Mild N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615850 JI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587616611 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587616612 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccc(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587616613 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccc(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587616614 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc(O)cc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587617097 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc(O)cc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587617098 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc(O)cc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587617099 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc(O)cc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587617100 JI Annotated Clean CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)C(F)(F)F ZINC000587617434 JI Annotated Bother CC(=O)N1CCc2sc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C1 ZINC000587617774 JI Annotated Reactive CC(=O)N1CCc2sc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C1 ZINC000587617776 JI Annotated Reactive CC(=O)N1CCc2sc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C1 ZINC000587617778 JI Annotated Reactive CC(=O)N1CCc2sc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C1 ZINC000587617781 JI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1 ZINC000587617905 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1 ZINC000587617906 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1 ZINC000587617907 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1 ZINC000587617908 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587617933 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587617934 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587617935 JI Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587617936 JI Annotated Clean CC1(C)OC[C@H]([C@H](OCc2ccccc2)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587617955 JI Annotated Anodyne CC1(C)OC[C@H]([C@H](OCc2ccccc2)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587617956 JI Annotated Anodyne CC1(C)OC[C@H]([C@H](OCc2ccccc2)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587617957 JI Annotated Anodyne CC1(C)OC[C@H]([C@H](OCc2ccccc2)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587617958 JI Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(OCC(=O)O)cc2O1 ZINC000587617959 JI Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(OCC(=O)O)cc2O1 ZINC000587617960 JI Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(OCC(=O)O)cc2O1 ZINC000587617961 JI Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(OCC(=O)O)cc2O1 ZINC000587617962 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCl)c(CCl)c2c1 ZINC000587618137 JI Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(CCCl)c2c1 ZINC000587618460 JI Annotated Reactive CCOC(=O)[C@@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587618475 JI Annotated Reactive CCOC(=O)[C@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587618476 JI Annotated Reactive CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CCBr ZINC000587618611 JI Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(Cl)nc3Cl)c2c1 ZINC000587618732 JI Annotated Bother O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 ZINC000587618884 JI Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 ZINC000587618886 JI Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 ZINC000587618887 JI Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 ZINC000587618890 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)ccn3)c(C#N)c2c1 ZINC000587619129 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3(C)CC3)c(C(=O)C(F)F)c2c1 ZINC000587619189 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3cnn(C)c3)c2c1 ZINC000587619238 JI Annotated Bother COC(=O)c1c(-c2ccccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619467 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC(F)(F)C3)c(C#N)c2c1 ZINC000587619527 JI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587619576 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587619578 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587619579 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587619580 JI Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619606 JI Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619610 JI Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619612 JI Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619613 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587619693 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587619694 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587619696 JI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587619698 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(C)c2c1 ZINC000587619872 JI Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ccc(C(F)(F)F)n3)c2c1 ZINC000587619890 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(-n3cccn3)c2c1 ZINC000587620206 JI Annotated Bother CCOC(=O)c1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620209 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)C3CC3)c2c1 ZINC000587620285 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3OC)c(C#N)c2c1 ZINC000587620377 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCBr)c2c1 ZINC000587620413 JI Annotated Reactive CNc1c(-c2ccc(O)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620427 JI Annotated Bother CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)c(C)n1 ZINC000587620438 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCC[C@H](C)C3)c2c1 ZINC000587620463 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCC[C@@H](C)C3)c2c1 ZINC000587620465 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-n3cccn3)c2c1 ZINC000587620485 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(C)nn(C)c3C)c(C)c2c1 ZINC000587620491 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3Cc4ccccc4C3=O)c2c1 ZINC000587620493 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCc3ccccc3)c2c1 ZINC000587620504 JI Annotated Bother C=CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)OCC ZINC000587620508 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)C(F)F)c2c1 ZINC000587620530 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N(C)c3ccccc3)c2c1 ZINC000587620568 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CO)c(-c3ccc(F)cc3)c2c1 ZINC000587620624 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(C(=O)C(F)F)c2c1 ZINC000587620656 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N3CCCCCC3)c2c1 ZINC000587620715 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3cnccn3)c2c1 ZINC000587620736 JI Annotated Bother COC(=O)c1c(C2CC(F)(F)C2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620749 JI Annotated Bother COC(=O)c1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620776 JI Annotated Bother CNc1c(-c2ccc(O)c(O)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620839 JI Annotated Clean COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)o3)c(C#N)c2c1 ZINC000587620847 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccco3)c(CC#N)c2c1 ZINC000587620858 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)OCO4)c(C#N)c2c1 ZINC000587620866 JI Annotated Mild CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)cn1 ZINC000587620886 JI Annotated Bother CCOC(=O)c1c(-c2ccncc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620890 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCO)c2c1 ZINC000587620894 JI Annotated Bother COc1cccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)c1 ZINC000587620905 JI Annotated Mild O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620929 JI Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(OC)c2c1 ZINC000587620981 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CN3CCCCC3)c2c1 ZINC000587620987 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(CC#N)c2c1 ZINC000587621005 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ncccc3C)c2c1 ZINC000587621027 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)cc3)c(CN(C)C)c2c1 ZINC000587621044 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccncc3)c(C(C)=O)c2c1 ZINC000587621082 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C#N)c3)c(C#N)c2c1 ZINC000587621102 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2c1 ZINC000587621105 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC=O)c2c1 ZINC000587621112 JI Annotated Bother CCOC(=O)c1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621165 JI Annotated Bother CCn1ncc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)c1C ZINC000587621203 JI Annotated Bother CCN(CC)CCc1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621206 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C[N+](=O)[O-])c(-c3ccccc3)c2c1 ZINC000587621247 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C(C)=O)c2c1 ZINC000587621277 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(N)c3)c(C)c2c1 ZINC000587621280 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccc(C)n3)c2c1 ZINC000587621284 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3occc3C)c(C#N)c2c1 ZINC000587621292 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(O)c2c1 ZINC000587621294 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1 ZINC000587621304 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2c1 ZINC000587621326 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cc(C)ccn3)c2c1 ZINC000587621334 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C(C)=O)c2c1 ZINC000587621496 JI Annotated Bother COC(=O)c1c(-c2cncc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621519 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(C#N)c2c1 ZINC000587621521 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C[N+](=O)[O-])c2c1 ZINC000587621542 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc([N+](=O)[O-])ccc3O)c(C)c2c1 ZINC000587621557 JI Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)cc1 ZINC000587621625 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N3CCCC[C@@H]3C)c2c1 ZINC000587621649 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N3CCCC[C@H]3C)c2c1 ZINC000587621651 JI Annotated Bother COc1cccc(-c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1 ZINC000587621696 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(O)c2c1 ZINC000587621761 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)cc3)c(C#N)c2c1 ZINC000587621765 JI Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(N)c2c1 ZINC000587621772 JI Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccc(F)cc3)c(O)c2c1 ZINC000587621782 JI Annotated Bother CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1nnn(-c2ccccc2Cl)c1=O ZINC000587621820 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(F)(F)F ZINC000587622035 JI Annotated Anodyne O=C1COc2ccc(C(=O)c3c(C(F)(F)F)[nH]c4c3c(Br)cc3n[nH]cc34)cc2N1 ZINC000587622040 JI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1ncc(I)c1C ZINC000587622119 JI Annotated Anodyne NC1CCN(Cc2c(-c3ccc(Cl)nc3)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587622120 JI Annotated Anodyne CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622209 JI Annotated Anodyne COC(=O)C(=O)c1c(-c2cccc(OC(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622215 JI Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622292 JI Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccc(OC(F)F)c1 ZINC000587622345 JI Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(OC(F)F)cc1 ZINC000587622524 JI Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cn(C)c2ccccc12 ZINC000587622622 JI Annotated Anodyne COC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)OCc1ccccc1 ZINC000587622734 JI Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O ZINC000587622887 JI Annotated Bother Cc1nn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1I ZINC000587623013 JI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 ZINC000587623038 JI Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623103 JI Annotated Bother C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C1OCCO1 ZINC000587623141 JI Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cnn(-c2ccccc2)c1C ZINC000587623181 JI Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623210 JI Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2[C@@H](C(=O)O)n2cncn2)cc1 ZINC000587623386 JI Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2[C@H](C(=O)O)n2cncn2)cc1 ZINC000587623387 JI Annotated Anodyne O=C(CCc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12)ON1C(=O)CCC1=O ZINC000587623464 JI Annotated Mild CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587623524 JI Annotated Anodyne CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623722 JI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 ZINC000587623811 JI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 ZINC000587623812 JI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587627705 JI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587627706 JI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587627707 JI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587627708 JI Annotated Anodyne COC(=O)[C@]1(Cc2c(C)[nH]c3ccc(F)c(Cl)c23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587631724 JI Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)[nH]c3ccc(F)c(Cl)c23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587631725 JI Annotated Anodyne COC(=O)[C@]1(Cc2c(C)[nH]c3cc(Cl)c(F)cc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587632346 JI Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)[nH]c3cc(Cl)c(F)cc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587632348 JI Annotated Anodyne C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cc(F)ccc2c1O ZINC000587633716 JI Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cccc(F)c2c1O ZINC000587633908 JI Annotated Mild CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3c(C(=O)O)cccc23)c(C(=O)OCC)n1 ZINC000587638786 JI Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3c(C(=O)O)cccc23)n1 ZINC000587639250 JI Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3c(C(=O)O)cccc23)n1 ZINC000587639528 JI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)c(-n3nnc(C(=O)OC)c3C(=O)OC)c2c1 ZINC000587642546 JI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)c(-n3nnc(C(=O)OC)c3C(=O)OC)c2c1 ZINC000587642547 JI Annotated Anodyne C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cccc([N+](=O)[O-])c2c1O ZINC000587645759 JI Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cc([N+](=O)[O-])ccc2c1O ZINC000587646572 JI Annotated Mild CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000587647739 JI Annotated Bother CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3cccc([N+](=O)[O-])c23)c(C(=O)OCC)n1 ZINC000587647742 JI Annotated Bother Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cccc([N+](=O)[O-])c23)c2ccccc21 ZINC000587648270 JI Annotated Bother CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648521 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3ccc(S(C)(=O)=O)cc13)/C(=C\Cl)N2 ZINC000587648650 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3ccc(S(C)(=O)=O)cc13)/C(=C/Cl)N2 ZINC000587648651 JI Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1CC(=O)c1ccc(Br)cc1 ZINC000587649050 JI Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(I)cc3)c2c1 ZINC000587650166 JI Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2Br)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650787 JI Annotated Anodyne Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587650838 JI Annotated Mild O=C(COc1ccc(Br)cc1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587650982 JI Annotated Anodyne O=C(c1cc(F)c(Cl)cc1F)N1CCC(C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587651049 JI Annotated Anodyne O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651082 JI Annotated Anodyne O=C(c1ccn(COc2ccc(Br)cc2Cl)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651161 JI Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1ccccc1OC(F)F ZINC000587651257 JI Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c(C)c1Br ZINC000587651269 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCC1OCCO1 ZINC000587651325 JI Annotated Anodyne O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651354 JI Annotated Anodyne O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651426 JI Annotated Bother Cc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c(C)c1Br ZINC000587651469 JI Annotated Anodyne O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652008 JI Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652023 JI Annotated Anodyne Cc1ccc(-n2nc(C(F)(F)F)cc2OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587652134 JI Annotated Anodyne COc1cccc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c3c(C)nn(C)c3n2)c1 ZINC000587652874 JI Annotated Anodyne Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Br ZINC000587653180 JI Annotated Anodyne O=C(c1ccc(-n2cncn2)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653351 JI Annotated Anodyne O=C(c1cc(Br)ccc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653363 JI Annotated Anodyne O=C(n1ncc2ccc(Cl)cc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587653476 JI Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c(C)c1Cl ZINC000587653481 JI Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2ncc3ccc(Cl)cc3c2=O)c(C)c1 ZINC000587653502 JI Annotated Bother C[C@H](Cn1cc(Br)cn1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653880 JI Annotated Anodyne C[C@@H](Cn1cc(Br)cn1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653881 JI Annotated Anodyne O=C(c1cn2cc(Br)ccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654292 JI Annotated Anodyne C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc(Br)cn1 ZINC000587654298 JI Annotated Anodyne C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc(Br)cn1 ZINC000587654299 JI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Br)cc1[N+](=O)[O-] ZINC000587654314 JI Annotated Bother Cc1ccc(NS(=O)(=O)c2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c(C)c1 ZINC000587654515 JI Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nc2ccccc2c1=O ZINC000587654522 JI Annotated Anodyne Cc1nn(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Br ZINC000587654543 JI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(Br)cn2ccnc12 ZINC000587654622 JI Annotated Anodyne Cc1c(Br)cnn1CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654685 JI Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000587654696 JI Annotated Bother CCn1cc(Br)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587654738 JI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc([N+](=O)[O-])cc1Br ZINC000587654756 JI Annotated Bother CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1ccc(Cl)cc1 ZINC000587654832 JI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1 ZINC000587654954 JI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000587655007 JI Annotated Bother O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000587655155 JI Annotated Bother O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655163 JI Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)nnc2-c2ccncc2)cc1 ZINC000587655169 JI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000587655177 JI Annotated Bother Cn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1ccc(Br)cc1 ZINC000587655184 JI Annotated Anodyne Cn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Cl)c1C(F)(F)F ZINC000587655247 JI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000587655251 JI Annotated Bother O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655305 JI Annotated Anodyne O=C1C[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CN1c1ccc(F)cc1 ZINC000587655333 JI Annotated Anodyne O=C1C[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CN1c1ccc(F)cc1 ZINC000587655334 JI Annotated Anodyne O=C(c1ccn(COc2ccc(F)cc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655412 JI Annotated Anodyne O=C(c1ccn(COc2ccccc2F)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655523 JI Annotated Anodyne Cc1nc(C)c(I)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655552 JI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655690 JI Annotated Anodyne O=C(Cn1nc(C(F)(F)F)c2c1CCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655706 JI Annotated Anodyne C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655764 JI Annotated Bother C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655766 JI Annotated Bother Cc1nn(C)c2nc(C3CC3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587655768 JI Annotated Anodyne CC(=O)N/C(=C\c1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655876 JI Annotated Bother CC(=O)N/C(=C/c1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655878 JI Annotated Bother O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2c1cnn2-c1ccccc1 ZINC000587655904 JI Annotated Anodyne CC(C)(C)OC(=O)c1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 ZINC000587655917 JI Annotated Anodyne COc1ccc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587655968 JI Annotated Bother O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655973 JI Annotated Bother O=C(c1ccn(COc2ccccc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655974 JI Annotated Anodyne COc1cc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc(OC)c1OC ZINC000587655982 JI Annotated Anodyne O=C(NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1C(F)(F)F ZINC000587656041 JI Annotated Anodyne Cc1c([N+](=O)[O-])cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587656311 JI Annotated Bother CCn1nc(C)c2c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc(C)nc21 ZINC000587656322 JI Annotated Anodyne O=C(c1cccc(I)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656326 JI Annotated Anodyne Cc1ccc(N2C[C@@H](C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)CC2=O)cc1 ZINC000587656328 JI Annotated Anodyne CC1=C(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)N2C=C(Cl)C=C[C@H]2N1 ZINC000587656401 JI Annotated Anodyne CC1=C(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)N2C=C(Cl)C=C[C@@H]2N1 ZINC000587656403 JI Annotated Anodyne O=C(C1CCN(c2ccc(Cl)nn2)CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656424 JI Annotated Anodyne O=C(COc1ccc(F)cc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656428 JI Annotated Bother C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656477 JI Annotated Anodyne C[C@H](Oc1ccc2c(c1)OCO2)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656479 JI Annotated Anodyne O=C(c1cn2cc(Br)ccc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656544 JI Annotated Anodyne Cc1ccc(N2C[C@H](C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)CC2=O)cc1 ZINC000587656628 JI Annotated Anodyne COc1ccc(N2C[C@@H](C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)CC2=O)cc1 ZINC000587656687 JI Annotated Anodyne COc1ccc(N2C[C@H](C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)CC2=O)cc1 ZINC000587656688 JI Annotated Anodyne Cc1nn(C[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587656728 JI Annotated Bother Cc1nn(C[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587656729 JI Annotated Bother O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656730 JI Annotated Bother O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656764 JI Annotated Bother CC(C)(C)C(=O)Nc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccn1 ZINC000587656854 JI Annotated Anodyne COc1cc(C[C@](C)(C(=O)O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1O ZINC000587656873 JI Annotated Anodyne COc1cc(C[C@@](C)(C(=O)O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1O ZINC000587656874 JI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\C(=O)n1nc(-c3ccccc3)c3cc(F)c(F)cc3c1=O)N2 ZINC000587656907 JI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/C(=O)n1nc(-c3ccccc3)c3cc(F)c(F)cc3c1=O)N2 ZINC000587656908 JI Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc(Br)cn1 ZINC000587656939 JI Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc(Br)cn1 ZINC000587656940 JI Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnn1-c1ccc(Cl)cc1 ZINC000587656948 JI Annotated Anodyne O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657013 JI Annotated Bother COc1ccc(OCn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587657047 JI Annotated Anodyne NNC(=O)CCCCCCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657116 JI Annotated Reactive COc1cc(OC)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1OC ZINC000587657149 JI Annotated Anodyne Cc1c(Br)cnn1CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657229 JI Annotated Anodyne COc1ccc(Br)c(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1N ZINC000587657267 JI Annotated Anodyne Cc1cccc(N2C[C@@H](C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)CC2=O)c1 ZINC000587657291 JI Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c(C)c1Cl ZINC000587657294 JI Annotated Anodyne Cc1cccc(N2C[C@H](C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)CC2=O)c1 ZINC000587657295 JI Annotated Anodyne Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 ZINC000587657367 JI Annotated Bother CCn1cc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)no2)c(C)n1 ZINC000587657383 JI Annotated Anodyne CCNc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587657405 JI Annotated Bother CC[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc([N+](=O)[O-])cc1C ZINC000587657430 JI Annotated Bother CC[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc([N+](=O)[O-])cc1C ZINC000587657431 JI Annotated Bother Cc1cc(C)n(Cc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)n1 ZINC000587657452 JI Annotated Anodyne O=C1C[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CN1Cc1ccccc1 ZINC000587657456 JI Annotated Anodyne O=C1C[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CN1Cc1ccccc1 ZINC000587657458 JI Annotated Anodyne O=C(c1[nH]nc(Br)c1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657492 JI Annotated Anodyne C[C@H](Cn1cc(Br)cn1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657547 JI Annotated Anodyne C[C@@H](Cn1cc(Br)cn1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657548 JI Annotated Anodyne Cc1nn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Br ZINC000587657552 JI Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Br ZINC000587657590 JI Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Br ZINC000587657591 JI Annotated Anodyne Cc1nn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Br ZINC000587657608 JI Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)c1 ZINC000587657631 JI Annotated Anodyne COc1ccc(CCNC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1OC ZINC000587657667 JI Annotated Anodyne Cc1nc(C)c(I)c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587657844 JI Annotated Anodyne O=C(c1nnn(-c2ccc(F)cc2)c1-n1cccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657909 JI Annotated Anodyne Cn1cnnc1SCc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657977 JI Annotated Anodyne CCn1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(=O)c2ccc(C)nc21 ZINC000587658008 JI Annotated Anodyne COc1ccc(OC)c(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n[nH]2)c1 ZINC000587658030 JI Annotated Anodyne CC(C)n1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2c1=O ZINC000587658043 JI Annotated Anodyne O=C1c2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2NC2=CCCN12 ZINC000587658046 JI Annotated Anodyne O=C(c1cccn(Cc2ccccc2)c1=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658047 JI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658085 JI Annotated Anodyne O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658094 JI Annotated Anodyne O=C(c1ccn(COc2ccc(F)cc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658095 JI Annotated Anodyne Cn1nc(C(F)(F)F)c(Br)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658113 JI Annotated Anodyne O=C(c1cccc(I)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658139 JI Annotated Anodyne O=C(C1CCN(c2ccc(Cl)nn2)CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658150 JI Annotated Anodyne O=C(c1ccccc1I)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658161 JI Annotated Anodyne COc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n[nH]2)cc1 ZINC000587658202 JI Annotated Anodyne O=C(CSCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)Nc1ccccc1 ZINC000587658264 JI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2N1 ZINC000587658285 JI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2N1 ZINC000587658286 JI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2N1 ZINC000587658287 JI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2N1 ZINC000587658288 JI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2N1 ZINC000587658294 JI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2N1 ZINC000587658295 JI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2N1 ZINC000587658296 JI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2N1 ZINC000587658297 JI Annotated Anodyne CCCn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2c1=O ZINC000587658461 JI Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658516 JI Annotated Anodyne O=C(NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccccc1C(F)(F)F ZINC000587658528 JI Annotated Anodyne COc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n[nH]2)cc1OC ZINC000587658787 JI Annotated Anodyne COc1ccccc1-c1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n[nH]1 ZINC000587658884 JI Annotated Anodyne O=C(c1ccn(COc2ccccc2F)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658977 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587659005 JI Annotated Anodyne O=C(Cn1nc(C(F)(F)F)c2c1CCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659010 JI Annotated Anodyne Cn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Cl)c1C(F)(F)F ZINC000587659111 JI Annotated Anodyne Cn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1C(F)(F)F ZINC000587659248 JI Annotated Anodyne O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659262 JI Annotated Anodyne CCCCOc1ccc(C(=O)NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659821 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3noc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660009 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(O)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660018 JI Annotated Anodyne Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)n5nc(-c6ccc(F)cc6)c6ccccc6c5=O)(C4)C2)C3)n1 ZINC000587660054 JI Annotated Anodyne Cc1nn(C)c2nc(C3CC3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587660066 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(N)cc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660177 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587660190 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587660191 JI Annotated Anodyne CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1 ZINC000587660324 JI Annotated Anodyne O=C(CN1c2cccc3cccc(c23)S1(=O)=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660371 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(O)nc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660457 JI Annotated Anodyne CCOC(=O)c1c(NC(=O)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)sc(C)c1C ZINC000587660469 JI Annotated Anodyne O=C(c1ccc(CN2CCN3CCC[C@H]3C2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660585 JI Annotated Anodyne O=C(c1ccc(CN2CCN3CCC[C@@H]3C2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660592 JI Annotated Anodyne COc1ccc(OC)c(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n[nH]2)c1 ZINC000587660816 JI Annotated Anodyne O=C1c2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2NC2=CCCN12 ZINC000587661062 JI Annotated Anodyne Cc1ccc(Cn2cc([N+](=O)[O-])c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587661076 JI Annotated Bother CC(C)n1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587661087 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000587661216 JI Annotated Bother CC(C)(C)NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661330 JI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\C(=O)n1nc(-c3ccc(F)cc3)c3ccccc3c1=O)N2 ZINC000587661335 JI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/C(=O)n1nc(-c3ccc(F)cc3)c3ccccc3c1=O)N2 ZINC000587661337 JI Annotated Anodyne O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661362 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661368 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3COCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587661396 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3COCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587661397 JI Annotated Anodyne O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661434 JI Annotated Bother Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c(C)c1[N+](=O)[O-] ZINC000587661443 JI Annotated Bother O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661447 JI Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587661463 JI Annotated Anodyne COc1ccc(OCn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587661486 JI Annotated Anodyne O=C(c1cccn(Cc2ccccc2)c1=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661495 JI Annotated Anodyne O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661503 JI Annotated Bother O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661579 JI Annotated Bother CCCn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587661605 JI Annotated Anodyne C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2)C1 ZINC000587661723 JI Annotated Anodyne C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2)C1 ZINC000587661727 JI Annotated Anodyne C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2)C1 ZINC000587661729 JI Annotated Anodyne Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587661916 JI Annotated Bother Cc1ccccc1OCn1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587661947 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)NC3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662025 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587662097 JI Annotated Anodyne O=C(CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662286 JI Annotated Anodyne O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662318 JI Annotated Bother CCCCn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587662319 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)NC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662461 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663007 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663282 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCCC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663348 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCS(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663487 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663494 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(N)=O)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663553 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(C)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587663554 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(C)c(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663764 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)N3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663789 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663794 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(N)cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663811 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664071 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664072 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(O)c4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664128 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664156 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4cccnc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664206 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)CCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587664232 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587664241 JI Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664245 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnc4onc(C)c4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664280 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccncc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587664338 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nncc(-c4cccc(OC)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664359 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nncc(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664382 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664433 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664460 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3n[nH]c(C)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587664476 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nncc(-c4ccc(OC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664726 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3Cc4ccccc4O3)c(=O)c3ccccc23)c(O)c1 ZINC000587664729 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3Cc4ccccc4O3)c(=O)c3ccccc23)c(O)c1 ZINC000587664730 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(O)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664744 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)OCCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587664780 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664833 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664866 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664867 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664884 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664904 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Cl)nc(COC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664908 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)cn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664921 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc(Cl)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664948 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664954 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665105 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc4c(=O)[nH]ccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665111 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(=O)OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587665164 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NC(C)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665166 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665169 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ncccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665220 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(N)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665230 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Cl)ncc3C(=O)OC)c(=O)c3ccccc23)c(O)c1 ZINC000587665231 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(Br)cnc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587665347 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665394 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NOCc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665454 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(N(CC)CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665472 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(OC)c(O)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665479 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(CCO)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665492 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587665539 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3COc4ccccc4O3)c(=O)c3ccccc23)c(O)c1 ZINC000587665562 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3COc4ccccc4O3)c(=O)c3ccccc23)c(O)c1 ZINC000587665565 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3oc(-c4ccccc4)nc3C(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587665569 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nnc(-c4ccccc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665615 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665799 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665824 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665826 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)c(CO)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665831 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)cn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665836 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665844 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665932 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4nccnc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665976 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666012 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666024 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666030 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C(=O)O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666044 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(N(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666059 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cccnc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587666082 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666092 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nn3C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666122 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666137 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)c[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587666176 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666189 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cncc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666276 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)n(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666290 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666293 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(OC)c3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666319 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)/C(=C\c3ccccc3)NC(C)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587666365 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)/C(=C/c3ccccc3)NC(C)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587666369 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(Cl)cnn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587666389 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666475 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Cn4cncn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666525 JI Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587666569 JI Annotated Bother CC[C@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587666571 JI Annotated Bother CCN(CC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666575 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666825 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666869 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)Nc3cccc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666870 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)nc4ncnn34)c(=O)c3ccccc23)c(O)c1 ZINC000587666878 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(C(F)(F)F)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666885 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666916 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4cc(F)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666932 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(OC)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666944 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)NCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666965 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C3CN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666988 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-n4nc(C)cc4C)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666992 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4ccc(C)cc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667010 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cncn3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667013 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C[C@@H]3Oc4ccccc4NC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667023 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C[C@H]3Oc4ccccc4NC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667024 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667032 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667033 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)ncn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667078 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc[nH]4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667079 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667125 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667146 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CNc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667147 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667164 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3c(OC)cccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587667321 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667361 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587667367 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587667411 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc(N(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667420 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN(C)C(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587667423 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667430 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(S(C)(=O)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667449 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cn(C)nc4C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587667460 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cn4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667461 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4cnn(C)c4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667470 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-n4cnnc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667477 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4cn(C)nc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667481 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cc[nH]c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667482 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nn4cnnc4c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667506 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn(-c4cccc(C)n4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667507 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667515 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667553 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(F)cc3S(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667568 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667582 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(OC)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667625 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667632 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(-c4ccccc4)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587667640 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cnc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587667655 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(C)nc4ccccn34)c(=O)c3ccccc23)c(O)c1 ZINC000587667656 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3nc4ccccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587667664 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587667684 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587667694 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667702 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667703 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667707 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(O)c4cnn(C(C)(C)C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667728 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3ccc(O)c(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667825 JI Annotated Clean CCN(CC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667830 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667833 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667850 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3c(C)n[nH]c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667872 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccccc3S(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667884 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667887 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)CN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667888 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(C)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667896 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587667899 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@H](C)O[C@@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667914 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667915 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667916 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667917 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3nc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667918 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(C)c4C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587667924 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C)c(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667932 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(N4CCOCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667936 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)c(C)c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587667970 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667976 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667980 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587667981 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587667988 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587667997 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(OC)c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587668004 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587668005 JI Annotated Anodyne CCOC(C)(OCC)C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587668028 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587668043 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C(C)(C)C)n[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587668064 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668065 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Cc3nc4ccccc4n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668076 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668081 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668082 JI Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4n[nH]cc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668088 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4c(C)cccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668105 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccncc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668112 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3n[nH]cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668142 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(CC)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668145 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nn3C(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668158 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Cl)c(CO)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668199 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(Br)cnc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587668274 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(C)c(C)c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668318 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668362 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668366 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668369 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccc4c(c3)CCO4)c(=O)c3ccccc23)cc1OCC ZINC000587668382 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3COc4ccccc4O3)c(=O)c3ccccc23)cc1OCC ZINC000587668408 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C)c(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668410 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)nn3C)c(=O)c3ccccc23)cc1OCC ZINC000587668412 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3COc4ccccc4O3)c(=O)c3ccccc23)cc1OCC ZINC000587668413 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nnc(O)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668420 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3n[nH]c(C)c3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668424 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(Cl)nc4[nH]cnc34)c(=O)c3ccccc23)cc1OCC ZINC000587668448 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(C)c(OCC)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668477 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NCCc3ccccn3)c(=O)c3ccccc23)cc1OCC ZINC000587668482 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn(-c4cccc(C)n4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668488 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668497 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCN(c4ncccn4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668499 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCN(c4ncccn4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668501 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4nccn4c3)c(=O)c3ccccc23)cc1OCC ZINC000587668513 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(Cl)c(C)nn3C)c(=O)c3ccccc23)cc1OCC ZINC000587668518 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-n4cnnc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668530 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cn4ccsc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668545 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSC(=S)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587668581 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668654 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)Cc3ccc(O)c([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587668659 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)C[C@@H]3Oc4ccccc4NC3=O)c(=O)c3ccccc23)cc1OCC ZINC000587668675 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C[C@H]3Oc4ccccc4NC3=O)c(=O)c3ccccc23)cc1OCC ZINC000587668678 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@H](C)O[C@@H](C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668703 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668704 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)CN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668705 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(O)c(C)c3O)c(=O)c3ccccc23)cc1OCC ZINC000587668706 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@@H](C)O[C@H](C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668707 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(C)nc4sccn34)c(=O)c3ccccc23)c(O)c1 ZINC000587668747 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc(CCO)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668840 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668861 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@H](C)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587668868 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](CC)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668886 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@@H](CC)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668887 JI Annotated Bother CCOc1ccc(-c2nn(-c3ccccc3S(C)(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587668904 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4nccnc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587668908 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(O)c4ccccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668940 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3nc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668951 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4)c3N)c(=O)c3ccccc23)cc1OCC ZINC000587668953 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(C)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668975 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3cccc(S(C)(=O)=O)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669006 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cc(Cl)c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669011 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3c(C)n[nH]c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669015 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4n[nH]cc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587669043 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nn4cnnc4c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669045 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc[nH]4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587669201 JI Annotated Anodyne COC(=O)[C@]1([C@@H](Br)C(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669245 JI Annotated Reactive COC(=O)[C@]1([C@H](Br)C(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669246 JI Annotated Reactive COC(=O)[C@]1([C@@H](Br)C(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669248 JI Annotated Reactive COC(=O)[C@]1([C@H](Br)C(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669250 JI Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3cccnc3SC)c(=O)c3ccccc23)c(O)c1 ZINC000587669304 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(OC)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669336 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669361 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669362 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)c3c(Br)cnn3C)c(=O)c3ccccc23)cc1OCC ZINC000587669378 JI Annotated Anodyne CCOC(=O)c1cnc(-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)nc1C ZINC000587669386 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4c(c3)OCO4)c(=O)c3ccccc23)cc1OCC ZINC000587669390 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccncc4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587669428 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(N(CC)CC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669430 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3ncc([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669472 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669488 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)Cc3cn4ccsc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587669497 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3cc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669557 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cnn(C)c4C)on3)c(=O)c3ccccc23)cc1OCC ZINC000587669618 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCc4nnc(C5CC5)n4C3)c(=O)c3ccccc23)cc1OCC ZINC000587669627 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)c(=O)c3ccccc23)cc1OCC ZINC000587669631 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccncc4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587669644 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669671 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(-c4ccccc4)cc3O)c(=O)c3ccccc23)cc1OCC ZINC000587669698 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cn(C)nc4C)on3)c(=O)c3ccccc23)cc1OCC ZINC000587669737 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4c(c3)ncn4C)c(=O)c3ccccc23)cc1OCC ZINC000587669750 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccccc4[nH]c3=O)c(=O)c3ccccc23)cc1OCC ZINC000587669767 JI Annotated Anodyne COC(=O)[C@]1([C@@H](Br)C(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669885 JI Annotated Reactive COC(=O)[C@]1([C@H](Br)C(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669886 JI Annotated Reactive COC(=O)[C@]1([C@@H](Br)C(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669888 JI Annotated Reactive COC(=O)[C@]1([C@H](Br)C(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669890 JI Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(CN(C)C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669902 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc(C)cc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587669904 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4c(c3)OCCO4)c(=O)c3ccccc23)cc1OCC ZINC000587669909 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Cl)nc(COC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669943 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669973 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587669983 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)nc4ncnn34)c(=O)c3ccccc23)cc1OCC ZINC000587669984 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587669987 JI Annotated Bother CCOc1ccc(-c2nn(C(=S)NCC(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587669993 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](N)Cc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670045 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCCc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587670094 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670110 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670156 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)Cc3cn4ccccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587670181 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3n[nH]c4c3CCCC4)c(=O)c3ccccc23)cc1OCC ZINC000587670182 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cc[nH]c4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587670223 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Cn4cncn4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670224 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Br)=C(/Br)C(=O)O)N1 ZINC000587670241 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Br)=C(/Br)C(=O)O)N1 ZINC000587670252 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Br)=C(/Br)C(=O)O)N1 ZINC000587670254 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Br)=C(/Br)C(=O)O)N1 ZINC000587670255 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCc3cccnc3)c(=O)c3ccccc23)cc1OCC ZINC000587670299 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3O)c(=O)c3ccccc23)cc1OCC ZINC000587670351 JI Annotated Bother CCOc1ccc(-c2nn(-c3nc(-c4cccnc4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587670369 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670371 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cnc4onc(C)c4c3)c(=O)c3ccccc23)cc1OCC ZINC000587670384 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670414 JI Annotated Bother CCOc1ccc(-c2nn(C(=O)C(=O)Nc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670574 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn4cc(F)ccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587670591 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccc(O)c(N)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670627 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)n(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670688 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670699 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670716 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670812 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN3C[C@H](C)O[C@@H](C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670814 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN3C[C@@H](C)O[C@H](C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670816 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN(C)C(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670843 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4ccn(C)n4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670859 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnn3C(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587670872 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(OC)c(O)c(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670886 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-n4nc(C)cc4C)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587670960 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4C)c(=O)c3ccccc23)cc1OCC ZINC000587670963 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4cnn(C)c4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670984 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCCc3ccccn3)c(=O)c3ccccc23)cc1OCC ZINC000587671025 JI Annotated Anodyne COC(=O)/C(Br)=C(/Br)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671032 JI Annotated Anodyne COC(=O)/C(Br)=C(/Br)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671034 JI Annotated Anodyne COC(=O)/C(Br)=C(/Br)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671035 JI Annotated Anodyne COC(=O)/C(Br)=C(/Br)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671036 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(C)(OCC)OCC)c(=O)c3ccccc23)cc1OCC ZINC000587671121 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnc(N(C)C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671142 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671151 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnc4n[nH]c(C)c4c3)c(=O)c3ccccc23)cc1OCC ZINC000587671152 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(F)cc3S(C)(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587671158 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(F)c(F)c(N)c3F)c(=O)c3ccccc23)cc1OCC ZINC000587671159 JI Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4cn(C)nc4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671215 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Br)=C(/Br)C(=O)O)N1 ZINC000587671253 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Br)=C(/Br)C(=O)O)N1 ZINC000587671256 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Br)=C(/Br)C(=O)O)N1 ZINC000587671258 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Br)=C(/Br)C(=O)O)N1 ZINC000587671260 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(c4ncccn4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587671272 JI Annotated Anodyne COC(=O)/C(Br)=C(/Br)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671276 JI Annotated Anodyne COC(=O)/C(Br)=C(/Br)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671278 JI Annotated Anodyne COC(=O)/C(Br)=C(/Br)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671279 JI Annotated Anodyne COC(=O)/C(Br)=C(/Br)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671281 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)Nc3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671350 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587671373 JI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671568 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(OC)c3O)c(=O)c3ccccc23)cc1OCC ZINC000587671641 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671650 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)Nc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671656 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671658 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587671681 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587671682 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587671683 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587671685 JI Annotated Reactive CCOc1ccc(-c2nn(C(=O)CCCCCCCC(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587671818 JI Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(OC)cc3O)c(=O)c3ccccc23)cc1OCC ZINC000587671829 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3O)c(=O)c3ccccc23)cc1OCC ZINC000587671839 JI Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NC(=O)C(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587672089 JI Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672143 JI Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672144 JI Annotated Reactive CCOC(=O)C(C)(C)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672145 JI Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672146 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(=O)O)c2)N1 ZINC000587672147 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(=O)O)c2)N1 ZINC000587672148 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(=O)O)c2)N1 ZINC000587672149 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(=O)O)c2)N1 ZINC000587672150 JI Annotated Reactive CCOc1ccc(-c2nn(C(=O)CNC(=O)c3cccc(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672306 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(=O)O)cc2)N1 ZINC000587672524 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(=O)O)cc2)N1 ZINC000587672526 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(=O)O)cc2)N1 ZINC000587672529 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(=O)O)cc2)N1 ZINC000587672533 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 ZINC000587672547 JI Annotated Reactive C[C@@H]1Oc2ccc([C@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2NC1=O ZINC000587672554 JI Annotated Reactive C[C@@H]1Oc2ccc([C@@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2NC1=O ZINC000587672556 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 ZINC000587672558 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)c(C=O)c2)N1 ZINC000587672805 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)c(C=O)c2)N1 ZINC000587672806 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)c(C=O)c2)N1 ZINC000587672807 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)c(C=O)c2)N1 ZINC000587672808 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587672821 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587672822 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587672823 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587672824 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)CBr)ccc2O)N1 ZINC000587672897 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)CBr)ccc2O)N1 ZINC000587672898 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)CBr)ccc2O)N1 ZINC000587672899 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)CBr)ccc2O)N1 ZINC000587672900 JI Annotated Reactive COC(=O)c1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587673123 JI Annotated Reactive COC(=O)c1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587673124 JI Annotated Reactive COC(=O)c1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587673125 JI Annotated Reactive COC(=O)c1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587673126 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(=O)O)cc2)N1 ZINC000587673351 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(=O)O)cc2)N1 ZINC000587673352 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(=O)O)cc2)N1 ZINC000587673353 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(=O)O)cc2)N1 ZINC000587673354 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)CBr)ccc2O)N1 ZINC000587673381 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)CBr)ccc2O)N1 ZINC000587673382 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)CBr)ccc2O)N1 ZINC000587673383 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)CBr)ccc2O)N1 ZINC000587673384 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(=O)O)c2)N1 ZINC000587673529 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(=O)O)c2)N1 ZINC000587673530 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(=O)O)c2)N1 ZINC000587673531 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(=O)O)c2)N1 ZINC000587673532 JI Annotated Reactive COC(=O)c1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587673639 JI Annotated Reactive COC(=O)c1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587673640 JI Annotated Reactive COC(=O)c1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587673642 JI Annotated Reactive COC(=O)c1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587673644 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCO3)N1 ZINC000587673669 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCO3)N1 ZINC000587673670 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCO3)N1 ZINC000587673673 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCO3)N1 ZINC000587673675 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCO3)N1 ZINC000587673839 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCO3)N1 ZINC000587673840 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCO3)N1 ZINC000587673841 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCO3)N1 ZINC000587673842 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)c(C=O)c2)N1 ZINC000587673897 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)c(C=O)c2)N1 ZINC000587673898 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)c(C=O)c2)N1 ZINC000587673899 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)c(C=O)c2)N1 ZINC000587673900 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 ZINC000587673905 JI Annotated Reactive C[C@@H]1Oc2ccc([C@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2NC1=O ZINC000587673906 JI Annotated Reactive C[C@@H]1Oc2ccc([C@@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2NC1=O ZINC000587673907 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 ZINC000587673908 JI Annotated Reactive CCOC(=O)C(C)(C)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674101 JI Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674103 JI Annotated Reactive CCOC(=O)C(C)(C)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674105 JI Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674106 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)O)c(Br)c2)N1 ZINC000587675251 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)O)c(Br)c2)N1 ZINC000587675252 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)O)c(Br)c2)N1 ZINC000587675253 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)O)c(Br)c2)N1 ZINC000587675254 JI Annotated Anodyne COC(=O)[C@@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675475 JI Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675476 JI Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675477 JI Annotated Anodyne COC(=O)[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675478 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCNCC2)(c2ccc(Br)cc2)N1 ZINC000587675673 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCNCC2)(c2ccc(Br)cc2)N1 ZINC000587675678 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCNCC2)(c2ccc(Br)cc2)N1 ZINC000587675679 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCNCC2)(c2ccc(Br)cc2)N1 ZINC000587675680 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCO)cc2Br)N1 ZINC000587676028 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCO)cc2Br)N1 ZINC000587676032 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCO)cc2Br)N1 ZINC000587676034 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCO)cc2Br)N1 ZINC000587676036 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676088 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676097 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676099 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676114 JI Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676174 JI Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676175 JI Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676176 JI Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676177 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCOCC2)(c2ccc(Br)cc2)N1 ZINC000587676402 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCOCC2)(c2ccc(Br)cc2)N1 ZINC000587676403 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCOCC2)(c2ccc(Br)cc2)N1 ZINC000587676404 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCOCC2)(c2ccc(Br)cc2)N1 ZINC000587676405 JI Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676484 JI Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676485 JI Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676486 JI Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676487 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)O)c(Br)c2)N1 ZINC000587676543 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)O)c(Br)c2)N1 ZINC000587676545 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)O)c(Br)c2)N1 ZINC000587676547 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)O)c(Br)c2)N1 ZINC000587676549 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCOCC2)(c2ccc(Br)cc2)N1 ZINC000587676765 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCOCC2)(c2ccc(Br)cc2)N1 ZINC000587676766 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCOCC2)(c2ccc(Br)cc2)N1 ZINC000587676767 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCOCC2)(c2ccc(Br)cc2)N1 ZINC000587676768 JI Annotated Anodyne COC(=O)[C@@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677008 JI Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677009 JI Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677010 JI Annotated Anodyne COC(=O)[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677012 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677120 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677124 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677127 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677130 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677226 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677227 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677229 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677231 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(C#N)c(O)nc1CC[C@H]2Br ZINC000587677452 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(C#N)c(O)nc1CC[C@@H]2Br ZINC000587677453 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(C#N)c(O)nc1CC[C@@H]2Br ZINC000587677454 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(C#N)c(O)nc1CC[C@H]2Br ZINC000587677455 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnc3nccnc23)N1 ZINC000587677521 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnc3nccnc23)N1 ZINC000587677525 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnc3nccnc23)N1 ZINC000587677527 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnc3nccnc23)N1 ZINC000587677528 JI Annotated Anodyne C#CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587677575 JI Annotated Mild C#CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587677579 JI Annotated Mild C#CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587677582 JI Annotated Mild C#CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587677584 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnc3c2OCCO3)N1 ZINC000587677644 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnc3c2OCCO3)N1 ZINC000587677660 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnc3c2OCCO3)N1 ZINC000587677664 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnc3c2OCCO3)N1 ZINC000587677669 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677737 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677741 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677746 JI Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677750 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccc(Br)cc12 ZINC000587677765 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccc(Br)cc12 ZINC000587677774 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccc(Br)cc12 ZINC000587677778 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccc(Br)cc12 ZINC000587677782 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncc(Br)cn3)CC2)N1 ZINC000587678096 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncc(Br)cn3)CC2)N1 ZINC000587678143 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncc(Br)cn3)CC2)N1 ZINC000587678206 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncc(Br)cn3)CC2)N1 ZINC000587678209 JI Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678212 JI Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678222 JI Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678230 JI Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678234 JI Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678348 JI Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678350 JI Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678352 JI Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678354 JI Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678568 JI Annotated Clean COC(=O)c1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678569 JI Annotated Clean COC(=O)c1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678570 JI Annotated Clean COC(=O)c1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678571 JI Annotated Clean COC(=O)c1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587678680 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587678685 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587678689 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587678691 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3cc(Br)ccc32)N1 ZINC000587678752 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3cc(Br)ccc32)N1 ZINC000587678758 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3cc(Br)ccc32)N1 ZINC000587678761 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3cc(Br)ccc32)N1 ZINC000587678764 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccc(Br)cc12 ZINC000587678809 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccc(Br)cc12 ZINC000587678811 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccc(Br)cc12 ZINC000587678812 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccc(Br)cc12 ZINC000587678813 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Br)C(=O)C=C2Br)N1 ZINC000587678848 JI Annotated Mild COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc2O1 ZINC000587678850 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Br)C(=O)C=C2Br)N1 ZINC000587678857 JI Annotated Mild COC(=O)[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc2O1 ZINC000587678858 JI Annotated Anodyne COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc2O1 ZINC000587678860 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Br)C(=O)C=C2Br)N1 ZINC000587678861 JI Annotated Mild COC(=O)[C@@H]1C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc2O1 ZINC000587678863 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Br)C(=O)C=C2Br)N1 ZINC000587678864 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587679161 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587679165 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587679166 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587679167 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3ccc(Br)cc32)N1 ZINC000587679206 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3ccc(Br)cc32)N1 ZINC000587679209 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3ccc(Br)cc32)N1 ZINC000587679214 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3ccc(Br)cc32)N1 ZINC000587679217 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1cccc(Br)c12 ZINC000587679285 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1cccc(Br)c12 ZINC000587679292 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1cccc(Br)c12 ZINC000587679294 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1cccc(Br)c12 ZINC000587679297 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587679486 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587679490 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587679493 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587679496 JI Annotated Reactive CCn1cc(Br)c([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587680084 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587680087 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587680089 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587680091 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCO)cc2Br)N1 ZINC000587680200 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCO)cc2Br)N1 ZINC000587680201 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCO)cc2Br)N1 ZINC000587680202 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCO)cc2Br)N1 ZINC000587680203 JI Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680408 JI Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680409 JI Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680410 JI Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680411 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2Br)NC(=O)CO3)N1 ZINC000587680436 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2Br)NC(=O)CO3)N1 ZINC000587680437 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2Br)NC(=O)CO3)N1 ZINC000587680438 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2Br)NC(=O)CO3)N1 ZINC000587680440 JI Annotated Anodyne COCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Br)cc21 ZINC000587680470 JI Annotated Anodyne COCCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Br)cc21 ZINC000587680487 JI Annotated Anodyne COCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Br)cc21 ZINC000587680490 JI Annotated Anodyne COCCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Br)cc21 ZINC000587680492 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680511 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680513 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680515 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680517 JI Annotated Anodyne C#CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587680584 JI Annotated Mild C#CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587680585 JI Annotated Mild C#CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587680586 JI Annotated Mild C#CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587680587 JI Annotated Mild COCCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Br)cc21 ZINC000587680592 JI Annotated Anodyne COCCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Br)cc21 ZINC000587680593 JI Annotated Anodyne COCCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Br)cc21 ZINC000587680594 JI Annotated Anodyne COCCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Br)cc21 ZINC000587680595 JI Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680708 JI Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680709 JI Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680710 JI Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680711 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)c(Br)n2C)N1 ZINC000587680854 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587680892 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587680895 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587680899 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587680903 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2Br)NC(=O)CO3)N1 ZINC000587680934 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2Br)NC(=O)CO3)N1 ZINC000587680935 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2Br)NC(=O)CO3)N1 ZINC000587680937 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2Br)NC(=O)CO3)N1 ZINC000587680939 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587680973 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)c(Br)n2C)N1 ZINC000587680974 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)c(Br)n2C)N1 ZINC000587680977 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587680979 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)c(Br)n2C)N1 ZINC000587680981 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587680985 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587680987 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1cccc(Br)c12 ZINC000587681153 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1cccc(Br)c12 ZINC000587681159 JI Annotated Anodyne COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc2O1 ZINC000587681162 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1cccc(Br)c12 ZINC000587681163 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc2O1 ZINC000587681166 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1cccc(Br)c12 ZINC000587681168 JI Annotated Anodyne COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc2O1 ZINC000587681170 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc2O1 ZINC000587681172 JI Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681208 JI Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681209 JI Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681210 JI Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681211 JI Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681410 JI Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681414 JI Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681416 JI Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681418 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587681571 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587681572 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587681573 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587681574 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681575 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681576 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681577 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681578 JI Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681851 JI Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681853 JI Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681856 JI Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681866 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(C#N)c(O)nc1CC[C@@H]2Br ZINC000587681971 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(C#N)c(O)nc1CC[C@H]2Br ZINC000587681975 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(C#N)c(O)nc1CC[C@H]2Br ZINC000587681979 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(C#N)c(O)nc1CC[C@@H]2Br ZINC000587681984 JI Annotated Reactive COC(=O)[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682111 JI Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682113 JI Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682115 JI Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682117 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587682216 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587682217 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587682218 JI Annotated Anodyne Cc1cc2c(cc1Br)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587682219 JI Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682386 JI Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682389 JI Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682391 JI Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682393 JI Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682441 JI Annotated Clean COC(=O)c1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682443 JI Annotated Clean COC(=O)c1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682445 JI Annotated Clean COC(=O)c1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682446 JI Annotated Clean CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587682790 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587682791 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587682792 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587682793 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 ZINC000587682796 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 ZINC000587682797 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 ZINC000587682798 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 ZINC000587682799 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3cc(Br)ccc32)N1 ZINC000587682953 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3cc(Br)ccc32)N1 ZINC000587682958 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3cc(Br)ccc32)N1 ZINC000587682961 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3cc(Br)ccc32)N1 ZINC000587682965 JI Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682977 JI Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682980 JI Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682983 JI Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682988 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587682990 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587682992 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587682996 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587682999 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCNCC2)(c2ccc(Br)cc2)N1 ZINC000587683000 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCNCC2)(c2ccc(Br)cc2)N1 ZINC000587683003 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCNCC2)(c2ccc(Br)cc2)N1 ZINC000587683005 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCNCC2)(c2ccc(Br)cc2)N1 ZINC000587683008 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683074 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683075 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683076 JI Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683077 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587683124 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587683127 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587683130 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587683132 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3cc(Br)ccc32)N1 ZINC000587683470 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3cc(Br)ccc32)N1 ZINC000587683472 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3cc(Br)ccc32)N1 ZINC000587683474 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3cc(Br)ccc32)N1 ZINC000587683478 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683493 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683496 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683498 JI Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683500 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 ZINC000587683709 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 ZINC000587683712 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 ZINC000587683714 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 ZINC000587683716 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)c(Br)n2C)N1 ZINC000587683821 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)c(Br)n2C)N1 ZINC000587683824 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)c(Br)n2C)N1 ZINC000587683826 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)c(Br)n2C)N1 ZINC000587683829 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587683877 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587683879 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587683881 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587683883 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587683885 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587683888 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587683889 JI Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587683895 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 ZINC000587684016 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 ZINC000587684017 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 ZINC000587684018 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 ZINC000587684019 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnc3c2OCCO3)N1 ZINC000587684240 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnc3c2OCCO3)N1 ZINC000587684244 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnc3c2OCCO3)N1 ZINC000587684246 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnc3c2OCCO3)N1 ZINC000587684249 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C ZINC000587684262 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C ZINC000587684268 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C ZINC000587684272 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C ZINC000587684274 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587684310 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587684313 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587684315 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587684318 JI Annotated Anodyne COCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587684320 JI Annotated Anodyne COCCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587684322 JI Annotated Anodyne COCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587684325 JI Annotated Anodyne COCCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587684327 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C ZINC000587684329 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C ZINC000587684332 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C ZINC000587684335 JI Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C ZINC000587684338 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684343 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684346 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684350 JI Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684351 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Br)C(=O)C=C2Br)N1 ZINC000587684352 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Br)C(=O)C=C2Br)N1 ZINC000587684353 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Br)C(=O)C=C2Br)N1 ZINC000587684354 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Br)C(=O)C=C2Br)N1 ZINC000587684355 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3ccc(Br)cc32)N1 ZINC000587684401 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3ccc(Br)cc32)N1 ZINC000587684404 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3ccc(Br)cc32)N1 ZINC000587684406 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3ccc(Br)cc32)N1 ZINC000587684408 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(N)=O)c3ccc(Br)cc23)N1 ZINC000587684800 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(N)=O)c3ccc(Br)cc23)N1 ZINC000587684801 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(N)=O)c3ccc(Br)cc23)N1 ZINC000587684802 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(N)=O)c3ccc(Br)cc23)N1 ZINC000587684803 JI Annotated Anodyne CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Br)cc21 ZINC000587684907 JI Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Br)cc21 ZINC000587684910 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 ZINC000587684951 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 ZINC000587684954 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 ZINC000587684957 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 ZINC000587684960 JI Annotated Reactive COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685087 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685091 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685094 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685097 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 ZINC000587685310 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 ZINC000587685311 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 ZINC000587685312 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 ZINC000587685313 JI Annotated Reactive CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Br)cc21 ZINC000587685315 JI Annotated Anodyne CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Br)cc21 ZINC000587685318 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Cc2ccccc2)NC(=O)CCl)N1 ZINC000587685373 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Cc2ccccc2)NC(=O)CCl)N1 ZINC000587685376 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Cc2ccccc2)NC(=O)CCl)N1 ZINC000587685378 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Cc2ccccc2)NC(=O)CCl)N1 ZINC000587685381 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccc(Br)cc12 ZINC000587685452 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccc(Br)cc12 ZINC000587685456 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccc(Br)cc12 ZINC000587685460 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccc(Br)cc12 ZINC000587685463 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnc3nccnc23)N1 ZINC000587685513 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnc3nccnc23)N1 ZINC000587685516 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnc3nccnc23)N1 ZINC000587685518 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnc3nccnc23)N1 ZINC000587685519 JI Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685557 JI Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685559 JI Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685561 JI Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685563 JI Annotated Anodyne CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587685565 JI Annotated Anodyne CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587685568 JI Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587685570 JI Annotated Anodyne CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587685571 JI Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685737 JI Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685741 JI Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685743 JI Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685746 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Cc2ccccc2)NC(=O)CCl)N1 ZINC000587685855 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Cc2ccccc2)NC(=O)CCl)N1 ZINC000587685856 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Cc2ccccc2)NC(=O)CCl)N1 ZINC000587685857 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Cc2ccccc2)NC(=O)CCl)N1 ZINC000587685858 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587685906 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587685907 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587685908 JI Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587685910 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 ZINC000587685927 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 ZINC000587685928 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 ZINC000587685930 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 ZINC000587685932 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3cc(Br)ccc32)N1 ZINC000587685994 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3cc(Br)ccc32)N1 ZINC000587685995 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3cc(Br)ccc32)N1 ZINC000587685996 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3cc(Br)ccc32)N1 ZINC000587685997 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587686039 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587686041 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587686043 JI Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587686045 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/NC(=O)c3ccccc3N2)N1 ZINC000587686308 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\NC(=O)c3ccccc3N2)N1 ZINC000587686309 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\NC(=O)c3ccccc3N2)N1 ZINC000587686310 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/NC(=O)c3ccccc3N2)N1 ZINC000587686311 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C#N)C(=O)NCc2ccccc2)N1 ZINC000587686660 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C#N)C(=O)NCc2ccccc2)N1 ZINC000587686679 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H](C#N)C(=O)NCc2ccccc2)N1 ZINC000587686681 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H](C#N)C(=O)NCc2ccccc2)N1 ZINC000587686683 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(N)=O)c3ccc(Br)cc23)N1 ZINC000587686757 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(N)=O)c3ccc(Br)cc23)N1 ZINC000587686759 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(N)=O)c3ccc(Br)cc23)N1 ZINC000587686760 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(N)=O)c3ccc(Br)cc23)N1 ZINC000587686762 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H](C#N)C(=O)NCc2ccccc2)N1 ZINC000587687090 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H](C#N)C(=O)NCc2ccccc2)N1 ZINC000587687091 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C#N)C(=O)NCc2ccccc2)N1 ZINC000587687092 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C#N)C(=O)NCc2ccccc2)N1 ZINC000587687094 JI Annotated Reactive COCCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587687453 JI Annotated Anodyne COCCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587687455 JI Annotated Anodyne COCCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587687457 JI Annotated Anodyne COCCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587687459 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587687523 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587687524 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587687525 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587687526 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccc(Br)cc12 ZINC000587687568 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccc(Br)cc12 ZINC000587687571 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccc(Br)cc12 ZINC000587687572 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccc(Br)cc12 ZINC000587687573 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587687576 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587687578 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587687579 JI Annotated Anodyne Cc1ccc2c(c1Br)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587687581 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587687691 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587687693 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587687695 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587687697 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587688074 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587688075 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587688076 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587688078 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587688466 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587688467 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587688468 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccc(Br)cc32)N1 ZINC000587688471 JI Annotated Anodyne CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Br)cc21 ZINC000587688548 JI Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Br)cc21 ZINC000587688549 JI Annotated Anodyne CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Br)cc21 ZINC000587688550 JI Annotated Anodyne CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Br)cc21 ZINC000587688551 JI Annotated Anodyne CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688594 JI Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688598 JI Annotated Anodyne CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688601 JI Annotated Anodyne CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688604 JI Annotated Anodyne COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688985 JI Annotated Reactive COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688991 JI Annotated Reactive COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688993 JI Annotated Reactive COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688994 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/NC(=O)c3ccccc3N2)N1 ZINC000587689134 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/NC(=O)c3ccccc3N2)N1 ZINC000587689135 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\NC(=O)c3ccccc3N2)N1 ZINC000587689136 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\NC(=O)c3ccccc3N2)N1 ZINC000587689137 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)NC(=O)CO3)([C@@H](C)Cl)N1 ZINC000587689170 JI Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689171 JI Annotated Reactive C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689172 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)NC(=O)CO3)([C@@H](C)Cl)N1 ZINC000587689173 JI Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nc[nH]n1 ZINC000587689328 JI Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nc[nH]n1 ZINC000587689337 JI Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nc[nH]n1 ZINC000587689339 JI Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nc[nH]n1 ZINC000587689340 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)NC(=O)CO3)([C@@H](C)Cl)N1 ZINC000587689406 JI Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689407 JI Annotated Reactive C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689408 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)NC(=O)CO3)([C@@H](C)Cl)N1 ZINC000587689409 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587689438 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587689439 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587689440 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587689441 JI Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nc[nH]n1 ZINC000587689542 JI Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nc[nH]n1 ZINC000587689543 JI Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nc[nH]n1 ZINC000587689544 JI Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nc[nH]n1 ZINC000587689545 JI Annotated Reactive COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689574 JI Annotated Reactive COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689575 JI Annotated Reactive COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689577 JI Annotated Reactive COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689580 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)N(C)C)c(Cl)c2)N1 ZINC000587692668 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)N(C)C)c(Cl)c2)N1 ZINC000587692672 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)N(C)C)c(Cl)c2)N1 ZINC000587692674 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)N(C)C)c(Cl)c2)N1 ZINC000587692675 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692993 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692997 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693000 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693004 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)CCC2=O)(c2ccccc2Cl)N1 ZINC000587693066 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)CCC2=O)(c2ccccc2Cl)N1 ZINC000587693068 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)CCC2=O)(c2ccccc2Cl)N1 ZINC000587693070 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)CCC2=O)(c2ccccc2Cl)N1 ZINC000587693072 JI Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](C=O)C(=O)O2 ZINC000587693217 JI Annotated Mild Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](C=O)C(=O)O2 ZINC000587693228 JI Annotated Mild Cc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](C=O)C(=O)O2 ZINC000587693231 JI Annotated Mild Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](C=O)C(=O)O2 ZINC000587693233 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)CCC2=O)(c2ccccc2Cl)N1 ZINC000587694283 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)CCC2=O)(c2ccccc2Cl)N1 ZINC000587694284 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)CCC2=O)(c2ccccc2Cl)N1 ZINC000587694285 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)CCC2=O)(c2ccccc2Cl)N1 ZINC000587694286 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccccc2Cl)N1 ZINC000587694296 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2Cl)N1 ZINC000587694301 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccccc2Cl)N1 ZINC000587694303 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2Cl)N1 ZINC000587694305 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694810 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694811 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694812 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694814 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCC(C(N)=O)CC2)(c2ccc(Cl)cc2)N1 ZINC000587695562 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCC(C(N)=O)CC2)(c2ccc(Cl)cc2)N1 ZINC000587695564 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCC(C(N)=O)CC2)(c2ccc(Cl)cc2)N1 ZINC000587695566 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCC(C(N)=O)CC2)(c2ccc(Cl)cc2)N1 ZINC000587695568 JI Annotated Anodyne COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587696060 JI Annotated Anodyne COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587696068 JI Annotated Anodyne COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587696071 JI Annotated Anodyne COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587696073 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(=O)NC2CC2)(c2ccc(Cl)cc2)N1 ZINC000587696165 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(=O)NC2CC2)(c2ccc(Cl)cc2)N1 ZINC000587696166 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(=O)NC2CC2)(c2ccc(Cl)cc2)N1 ZINC000587696167 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(=O)NC2CC2)(c2ccc(Cl)cc2)N1 ZINC000587696168 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696217 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696218 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696219 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696220 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(Cl)ccc12 ZINC000587697117 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(Cl)ccc12 ZINC000587697118 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(Cl)ccc12 ZINC000587697119 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(Cl)ccc12 ZINC000587697120 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(Cl)cc12 ZINC000587697125 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(Cl)cc12 ZINC000587697126 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(Cl)cc12 ZINC000587697127 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(Cl)cc12 ZINC000587697128 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H]2CN(C)CCO2)N1 ZINC000587697574 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H]2CN(C)CCO2)N1 ZINC000587697576 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@H]2CN(C)CCO2)N1 ZINC000587697577 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H]2CN(C)CCO2)N1 ZINC000587697579 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697766 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697790 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697793 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697796 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccccc2Cl)N1 ZINC000587697917 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2Cl)N1 ZINC000587697919 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccccc2Cl)N1 ZINC000587697921 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2Cl)N1 ZINC000587697923 JI Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(=O)O ZINC000587697962 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(=O)O ZINC000587697963 JI Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(=O)O ZINC000587697964 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(=O)O ZINC000587697965 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(c3ccc(Cl)cc3)N=C2C(=O)O)N1 ZINC000587698451 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(c3ccc(Cl)cc3)N=C2C(=O)O)N1 ZINC000587698454 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(c3ccc(Cl)cc3)N=C2C(=O)O)N1 ZINC000587698457 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(c3ccc(Cl)cc3)N=C2C(=O)O)N1 ZINC000587698460 JI Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(=O)O ZINC000587698640 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(=O)O ZINC000587698642 JI Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(=O)O ZINC000587698644 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(=O)O ZINC000587698646 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699001 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699003 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699006 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699009 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(Cl)cc12 ZINC000587699060 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(Cl)cc12 ZINC000587699065 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(Cl)cc12 ZINC000587699070 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(Cl)cc12 ZINC000587699073 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699544 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699547 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699550 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699554 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(c3ccc(Cl)cc3)N=C2C(=O)O)N1 ZINC000587699661 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(c3ccc(Cl)cc3)N=C2C(=O)O)N1 ZINC000587699664 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(c3ccc(Cl)cc3)N=C2C(=O)O)N1 ZINC000587699666 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(c3ccc(Cl)cc3)N=C2C(=O)O)N1 ZINC000587699667 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(Cl)ccc12 ZINC000587700152 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(Cl)ccc12 ZINC000587700154 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(Cl)ccc12 ZINC000587700157 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(Cl)ccc12 ZINC000587700159 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)N(C)C)c(Cl)c2)N1 ZINC000587700541 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)N(C)C)c(Cl)c2)N1 ZINC000587700542 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)N(C)C)c(Cl)c2)N1 ZINC000587700543 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)N(C)C)c(Cl)c2)N1 ZINC000587700544 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700815 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700816 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700818 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700820 JI Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](C=O)C(=O)O2 ZINC000587700925 JI Annotated Mild Cc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](C=O)C(=O)O2 ZINC000587700928 JI Annotated Mild Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](C=O)C(=O)O2 ZINC000587700929 JI Annotated Mild Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](C=O)C(=O)O2 ZINC000587700930 JI Annotated Mild CCOC(=O)C(F)(F)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587702031 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587702036 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587702040 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587702045 JI Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702047 JI Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702055 JI Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702057 JI Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702061 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702245 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702247 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702249 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702251 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702309 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702310 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702311 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702312 JI Annotated Anodyne COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587702346 JI Annotated Anodyne COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587702348 JI Annotated Anodyne COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587702350 JI Annotated Anodyne COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587702352 JI Annotated Anodyne CCn1ncc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587702474 JI Annotated Anodyne CCn1ncc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587702528 JI Annotated Anodyne CCn1ncc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587702531 JI Annotated Anodyne CCn1ncc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587702537 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702941 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702942 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702943 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702944 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(=O)NC2CC2)(c2ccc(Cl)cc2)N1 ZINC000587704062 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(=O)NC2CC2)(c2ccc(Cl)cc2)N1 ZINC000587704063 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(=O)NC2CC2)(c2ccc(Cl)cc2)N1 ZINC000587704065 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(=O)NC2CC2)(c2ccc(Cl)cc2)N1 ZINC000587704067 JI Annotated Anodyne COCCNC1=C(Cl)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587704199 JI Annotated Mild COCCNC1=C(Cl)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587704200 JI Annotated Mild COCCNC1=C(Cl)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587704201 JI Annotated Mild COCCNC1=C(Cl)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587704202 JI Annotated Mild CCOC(=O)C(F)(F)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587704272 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587704274 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587704276 JI Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587704278 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704484 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704485 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704486 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704487 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCC(N)CC2)(c2ccc(Cl)nc2)N1 ZINC000587704597 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCC(N)CC2)(c2ccc(Cl)nc2)N1 ZINC000587704598 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCC(N)CC2)(c2ccc(Cl)nc2)N1 ZINC000587704599 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCC(N)CC2)(c2ccc(Cl)nc2)N1 ZINC000587704600 JI Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704654 JI Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704655 JI Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704656 JI Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704657 JI Annotated Anodyne COCCNC1=C(Cl)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587705036 JI Annotated Mild COCCNC1=C(Cl)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587705039 JI Annotated Mild COCCNC1=C(Cl)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587705041 JI Annotated Mild COCCNC1=C(Cl)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587705044 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N2CCC(C(=O)O)CC2)(C(F)(F)F)N1 ZINC000587705097 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N2CCC(C(=O)O)CC2)(C(F)(F)F)N1 ZINC000587705102 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N2CCC(C(=O)O)CC2)(C(F)(F)F)N1 ZINC000587705105 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N2CCC(C(=O)O)CC2)(C(F)(F)F)N1 ZINC000587705107 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@H]2CN(C)CCO2)N1 ZINC000587705177 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H]2CN(C)CCO2)N1 ZINC000587705178 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H]2CN(C)CCO2)N1 ZINC000587705179 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H]2CN(C)CCO2)N1 ZINC000587705180 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCC(C(N)=O)CC2)(c2ccc(Cl)cc2)N1 ZINC000587705217 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCC(C(N)=O)CC2)(c2ccc(Cl)cc2)N1 ZINC000587705218 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCC(C(N)=O)CC2)(c2ccc(Cl)cc2)N1 ZINC000587705219 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCC(C(N)=O)CC2)(c2ccc(Cl)cc2)N1 ZINC000587705220 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705624 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705625 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705626 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705627 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N2CCC(C(=O)O)CC2)(C(F)(F)F)N1 ZINC000587705769 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N2CCC(C(=O)O)CC2)(C(F)(F)F)N1 ZINC000587705770 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N2CCC(C(=O)O)CC2)(C(F)(F)F)N1 ZINC000587705771 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N2CCC(C(=O)O)CC2)(C(F)(F)F)N1 ZINC000587705772 JI Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706114 JI Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)(F)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706115 JI Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)(F)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706117 JI Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706122 JI Annotated Anodyne COCCNC1=C(Cl)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587706248 JI Annotated Mild COCCNC1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587706251 JI Annotated Mild COCCNC1=C(Cl)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587706255 JI Annotated Mild COCCNC1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587706257 JI Annotated Mild Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706393 JI Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706394 JI Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706402 JI Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706404 JI Annotated Anodyne CCn1ncc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587706489 JI Annotated Anodyne CCn1ncc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587706490 JI Annotated Anodyne CCn1ncc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587706491 JI Annotated Anodyne CCn1ncc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587706492 JI Annotated Anodyne COCCNC1=C(Cl)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587706545 JI Annotated Mild COCCNC1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587706548 JI Annotated Mild COCCNC1=C(Cl)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587706550 JI Annotated Mild COCCNC1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587706554 JI Annotated Mild Cc1nn(C)cc1[C@]1(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706639 JI Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)(F)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706640 JI Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)(F)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706641 JI Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706642 JI Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587707008 JI Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587707009 JI Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587707010 JI Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587707011 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCC(N)CC2)(c2ccc(Cl)nc2)N1 ZINC000587707167 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCC(N)CC2)(c2ccc(Cl)nc2)N1 ZINC000587707168 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCC(N)CC2)(c2ccc(Cl)nc2)N1 ZINC000587707169 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCC(N)CC2)(c2ccc(Cl)nc2)N1 ZINC000587707170 JI Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587707304 JI Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587707305 JI Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587707306 JI Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587707307 JI Annotated Anodyne CCOC(=O)/C(=C/C=C\N(C)C)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707673 JI Annotated Anodyne CCOC(=O)/C(=C/C=C/N(C)C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707674 JI Annotated Anodyne CCOC(=O)/C(=C/C=C\N(C)C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707675 JI Annotated Anodyne CCOC(=O)/C(=C/C=C/N(C)C)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707676 JI Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707726 JI Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707727 JI Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707728 JI Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707729 JI Annotated Anodyne CCOC(=O)/C(=C/C=C/N(C)C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708547 JI Annotated Anodyne CCOC(=O)/C(=C/C=C\N(C)C)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708548 JI Annotated Anodyne CCOC(=O)/C(=C/C=C\N(C)C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708549 JI Annotated Anodyne CCOC(=O)/C(=C/C=C/N(C)C)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708550 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)N1 ZINC000587709028 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)N1 ZINC000587709029 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)N1 ZINC000587709030 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)N1 ZINC000587709031 JI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587709198 JI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587709199 JI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587709200 JI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587709201 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709222 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709223 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709224 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709225 JI Annotated Anodyne CCOC(=O)[C@@H]1CCC(=O)[C@H]([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587709487 JI Annotated Anodyne CCOC(=O)[C@@H]1CCC(=O)[C@H]([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587709488 JI Annotated Anodyne CCOC(=O)[C@@H]1CCC(=O)[C@H]([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587709489 JI Annotated Anodyne CCOC(=O)[C@@H]1CCC(=O)[C@H]([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587709490 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)N1 ZINC000587709845 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)N1 ZINC000587709848 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)N1 ZINC000587709850 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)N1 ZINC000587709853 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 ZINC000587709916 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 ZINC000587709917 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 ZINC000587709918 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 ZINC000587709919 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)N1 ZINC000587709920 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)N1 ZINC000587709921 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)N1 ZINC000587709922 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(CC(F)(F)F)CC3)s2)N1 ZINC000587709923 JI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)C(F)(F)F)C1 ZINC000587710064 JI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)C(F)(F)F)C1 ZINC000587710067 JI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(=O)C(F)(F)F)C1 ZINC000587710070 JI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(=O)C(F)(F)F)C1 ZINC000587710072 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)N1 ZINC000587710184 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)N1 ZINC000587710185 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)N1 ZINC000587710186 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)N1 ZINC000587710187 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710196 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710197 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710198 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710199 JI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(=O)C(F)(F)F)C1 ZINC000587710313 JI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(=O)C(F)(F)F)C1 ZINC000587710315 JI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)C(F)(F)F)C1 ZINC000587710317 JI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)C(F)(F)F)C1 ZINC000587710319 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710419 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710422 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710424 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710426 JI Annotated Anodyne CCOC(=O)[C@@H]1CCC(=O)[C@H]([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587710584 JI Annotated Anodyne CCOC(=O)[C@@H]1CCC(=O)[C@H]([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587710585 JI Annotated Anodyne CCOC(=O)[C@@H]1CCC(=O)[C@H]([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587710586 JI Annotated Anodyne CCOC(=O)[C@@H]1CCC(=O)[C@H]([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587710587 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 ZINC000587711338 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 ZINC000587711339 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 ZINC000587711340 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 ZINC000587711341 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)N1 ZINC000587711684 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)N1 ZINC000587711685 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)N1 ZINC000587711686 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)N1 ZINC000587711687 JI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587712028 JI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587712029 JI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587712030 JI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587712031 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712138 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712140 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712142 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712144 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccccc2C(F)(F)F)N1 ZINC000587712352 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccccc2C(F)(F)F)N1 ZINC000587712353 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccccc2C(F)(F)F)N1 ZINC000587712354 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccccc2C(F)(F)F)N1 ZINC000587712355 JI Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1S(=O)(=O)C(F)F ZINC000587713053 JI Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1S(=O)(=O)C(F)F ZINC000587713055 JI Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1S(=O)(=O)C(F)F ZINC000587713056 JI Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1S(=O)(=O)C(F)F ZINC000587713058 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713259 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713261 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713265 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713267 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713444 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713449 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713451 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713453 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713506 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713508 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713509 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713511 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)CC(F)F)cc2)N1 ZINC000587713991 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)CC(F)F)cc2)N1 ZINC000587713992 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)CC(F)F)cc2)N1 ZINC000587713993 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)CC(F)F)cc2)N1 ZINC000587713994 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3nccc(C(F)(F)F)n3)CC2)N1 ZINC000587714242 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3nccc(C(F)(F)F)n3)CC2)N1 ZINC000587714262 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714371 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714372 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714373 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714374 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccccc2C(F)(F)F)N1 ZINC000587715181 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccccc2C(F)(F)F)N1 ZINC000587715182 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccccc2C(F)(F)F)N1 ZINC000587715183 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccccc2C(F)(F)F)N1 ZINC000587715184 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587715524 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587715530 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587715534 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587715537 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(OC(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715577 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(OC(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715580 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(OC(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715582 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(OC(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715584 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)CC(F)F)cc2)N1 ZINC000587716108 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)CC(F)F)cc2)N1 ZINC000587716109 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)CC(F)F)cc2)N1 ZINC000587716111 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)CC(F)F)cc2)N1 ZINC000587716113 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716527 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716530 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716533 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716536 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(OC(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717337 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(OC(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717342 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(OC(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717345 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(OC(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717352 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3nccc(C(F)(F)F)n3)CC2)N1 ZINC000587717706 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3nccc(C(F)(F)F)n3)CC2)N1 ZINC000587717709 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717749 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(F)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717764 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717768 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(F)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717772 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)N1 ZINC000587717888 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)N1 ZINC000587717893 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)N1 ZINC000587717898 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)N1 ZINC000587717901 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718233 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718236 JI Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718239 JI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718242 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587718699 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(F)cccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718700 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587718701 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(F)cccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718703 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587718704 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(F)cccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718706 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587718707 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(F)cccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718708 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719281 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719284 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719287 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719288 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719390 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719392 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719394 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719396 JI Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1S(=O)(=O)C(F)F ZINC000587719599 JI Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1S(=O)(=O)C(F)F ZINC000587719601 JI Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1S(=O)(=O)C(F)F ZINC000587719602 JI Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1S(=O)(=O)C(F)F ZINC000587719605 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 ZINC000587719692 JI Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 ZINC000587719719 JI Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 ZINC000587719721 JI Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 ZINC000587719725 JI Annotated Unstable COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719915 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719916 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719917 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719918 JI Annotated Anodyne CC(=O)NCCc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587720462 JI Annotated Reactive CC(=O)NCCc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587720466 JI Annotated Reactive CC(=O)NCCc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587720468 JI Annotated Reactive CC(=O)NCCc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587720469 JI Annotated Reactive COC(=O)[C@]1(CC(=O)c2cc(F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720967 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(F)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720968 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720969 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(F)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720970 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722006 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722007 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722008 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722009 JI Annotated Anodyne CC(=O)NCCc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587722241 JI Annotated Reactive CC(=O)NCCc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587722242 JI Annotated Reactive CC(=O)NCCc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587722243 JI Annotated Reactive CC(=O)NCCc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587722244 JI Annotated Reactive COC(=O)[C@]1(CC(=O)c2c(F)cccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722596 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(F)cccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722597 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(F)cccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722598 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(F)cccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722599 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 ZINC000587723474 JI Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 ZINC000587723475 JI Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 ZINC000587723476 JI Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 ZINC000587723477 JI Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(c3ccc(F)c(F)c3)N=C2C(=O)O)N1 ZINC000587724420 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(c3ccc(F)c(F)c3)N=C2C(=O)O)N1 ZINC000587724421 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(c3ccc(F)c(F)c3)N=C2C(=O)O)N1 ZINC000587724422 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(c3ccc(F)c(F)c3)N=C2C(=O)O)N1 ZINC000587724423 JI Annotated Anodyne CC(=O)NCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587725064 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587725065 JI Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587725066 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587725067 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(c3ccc(F)c(F)c3)N=C2C(=O)O)N1 ZINC000587725146 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(c3ccc(F)c(F)c3)N=C2C(=O)O)N1 ZINC000587725147 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(c3ccc(F)c(F)c3)N=C2C(=O)O)N1 ZINC000587725149 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(c3ccc(F)c(F)c3)N=C2C(=O)O)N1 ZINC000587725150 JI Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1F ZINC000587725380 JI Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1F ZINC000587725381 JI Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1F ZINC000587725382 JI Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1F ZINC000587725383 JI Annotated Anodyne CC(=O)NCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725540 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725541 JI Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725542 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725543 JI Annotated Reactive COC1=CN(c2ccc(F)cc2)C(CO)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587726976 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(CO)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587726977 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(CO)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587726978 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(CO)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587726979 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)N1 ZINC000587727132 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)N1 ZINC000587727133 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)N1 ZINC000587727134 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)N1 ZINC000587727136 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)ccc(Br)c12 ZINC000587727464 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)ccc(Br)c12 ZINC000587727466 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)ccc(Br)c12 ZINC000587727468 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)ccc(Br)c12 ZINC000587727470 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727603 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727609 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727610 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727612 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)ccc(F)c12 ZINC000587727927 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)ccc(F)c12 ZINC000587727929 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)ccc(F)c12 ZINC000587727930 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)ccc(F)c12 ZINC000587727934 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727979 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728012 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728014 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728017 JI Annotated Anodyne CC(=O)N1CCC([C@]2(c3cc(F)ccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587728179 JI Annotated Clean CC(=O)N1CCC([C@@]2(c3cc(F)ccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587728204 JI Annotated Clean CC(=O)N1CCC([C@]2(c3cc(F)ccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587728208 JI Annotated Clean CC(=O)N1CCC([C@@]2(c3cc(F)ccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587728213 JI Annotated Clean CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728472 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728474 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728478 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728481 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1O ZINC000587728579 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1O ZINC000587728593 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1O ZINC000587728598 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1O ZINC000587728602 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)c(Br)cc12 ZINC000587728690 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)c(Br)cc12 ZINC000587728692 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)c(Br)cc12 ZINC000587728694 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)c(Br)cc12 ZINC000587728696 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1O ZINC000587728898 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1O ZINC000587728902 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1O ZINC000587728905 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1O ZINC000587728912 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728997 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729000 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729003 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729005 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)c(Br)cc12 ZINC000587729157 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)c(Br)cc12 ZINC000587729158 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)c(Br)cc12 ZINC000587729160 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)c(Br)cc12 ZINC000587729164 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729568 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729571 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729575 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729579 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587729759 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587729768 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587729772 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587729777 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729980 JI Annotated Mild CCOC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729981 JI Annotated Mild CCOC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729982 JI Annotated Mild CCOC(=O)[C@@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729983 JI Annotated Mild CCn1cc(I)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587730110 JI Annotated Anodyne CCn1cc(I)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587730119 JI Annotated Anodyne CCn1cc(I)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587730122 JI Annotated Anodyne CCn1cc(I)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587730125 JI Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1F ZINC000587730133 JI Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1F ZINC000587730135 JI Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1F ZINC000587730138 JI Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1F ZINC000587730140 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730142 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730145 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730148 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730151 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)ccc(Br)c12 ZINC000587730392 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)ccc(Br)c12 ZINC000587730397 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)ccc(Br)c12 ZINC000587730400 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)ccc(Br)c12 ZINC000587730405 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cc(F)cc12 ZINC000587730461 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cc(F)cc12 ZINC000587730465 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cc(F)cc12 ZINC000587730468 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cc(F)cc12 ZINC000587730469 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(C(=O)O)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731049 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(C(=O)O)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731063 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(C(=O)O)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731066 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(C(=O)O)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731068 JI Annotated Anodyne CC(=O)N1CCC([C@@]2(c3cc(F)ccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587731312 JI Annotated Clean CC(=O)N1CCC([C@]2(c3cc(F)ccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587731313 JI Annotated Clean CC(=O)N1CCC([C@@]2(c3cc(F)ccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587731315 JI Annotated Clean CC(=O)N1CCC([C@]2(c3cc(F)ccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587731316 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cc(F)cc12 ZINC000587731832 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cc(F)cc12 ZINC000587731833 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cc(F)cc12 ZINC000587731834 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cc(F)cc12 ZINC000587731835 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732377 JI Annotated Mild CCOC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732380 JI Annotated Mild CCOC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732382 JI Annotated Mild CCOC(=O)[C@@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732385 JI Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732456 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732458 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732461 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732464 JI Annotated Anodyne Cc1nn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587732656 JI Annotated Anodyne Cc1nn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587732661 JI Annotated Anodyne Cc1nn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587732662 JI Annotated Anodyne Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587732663 JI Annotated Anodyne Cc1nn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587732730 JI Annotated Anodyne Cc1nn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587732731 JI Annotated Anodyne Cc1nn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587732732 JI Annotated Anodyne Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587732733 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)N1 ZINC000587732950 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)N1 ZINC000587732951 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)N1 ZINC000587732952 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)N1 ZINC000587732953 JI Annotated Anodyne CCn1cc(I)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587733123 JI Annotated Anodyne CCn1cc(I)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587733124 JI Annotated Anodyne CCn1cc(I)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587733125 JI Annotated Anodyne CCn1cc(I)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587733126 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733168 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733172 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733177 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733179 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(I)s2)N1 ZINC000587733548 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(I)s2)N1 ZINC000587733549 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(I)s2)N1 ZINC000587733550 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(I)s2)N1 ZINC000587733551 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(CO)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587734897 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(CO)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587734898 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(CO)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587734899 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(CO)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587734900 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(I)s2)N1 ZINC000587735297 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(I)s2)N1 ZINC000587735299 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(I)s2)N1 ZINC000587735300 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(I)s2)N1 ZINC000587735301 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(C(=O)O)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735485 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(C(=O)O)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735487 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(C(=O)O)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735489 JI Annotated Anodyne COC1=CN(c2ccc(F)cc2)C(C(=O)O)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735492 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)N1 ZINC000587735877 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)N1 ZINC000587735881 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)N1 ZINC000587735883 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)N1 ZINC000587735885 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)ccc(F)c12 ZINC000587735908 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)ccc(F)c12 ZINC000587735911 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)ccc(F)c12 ZINC000587735913 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)ccc(F)c12 ZINC000587735915 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587736082 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587736091 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587736093 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587736095 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587736152 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587736154 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587736155 JI Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587736156 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 ZINC000587736484 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 ZINC000587736486 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 ZINC000587736489 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 ZINC000587736491 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H](C(=O)O)c3ccc(F)cc3)CC2)N1 ZINC000587736643 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC2)N1 ZINC000587736644 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H](C(=O)O)c3ccc(F)cc3)CC2)N1 ZINC000587736646 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC2)N1 ZINC000587736647 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587736871 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587736874 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587736878 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587736881 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)ccnc2F)N1 ZINC000587736883 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)ccnc2F)N1 ZINC000587736895 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)ccnc2F)N1 ZINC000587736897 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)ccnc2F)N1 ZINC000587736899 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H](C(=O)O)c3ccc(F)cc3)CC2)N1 ZINC000587737015 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC2)N1 ZINC000587737017 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H](C(=O)O)c3ccc(F)cc3)CC2)N1 ZINC000587737019 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC2)N1 ZINC000587737021 JI Annotated Anodyne COc1nccc(I)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737280 JI Annotated Anodyne COc1nccc(I)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737281 JI Annotated Anodyne COc1nccc(I)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737282 JI Annotated Anodyne COc1nccc(I)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737283 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 ZINC000587737451 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 ZINC000587737453 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 ZINC000587737456 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 ZINC000587737460 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)N1 ZINC000587737588 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)N1 ZINC000587737589 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)N1 ZINC000587737590 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)N1 ZINC000587737591 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)ccnc2N(C)C)N1 ZINC000587737852 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)ccnc2N(C)C)N1 ZINC000587737853 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)ccnc2N(C)C)N1 ZINC000587737854 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)ccnc2N(C)C)N1 ZINC000587737855 JI Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737856 JI Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737857 JI Annotated Anodyne CCn1ncc(I)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737858 JI Annotated Anodyne CCn1ncc(I)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737859 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)ccnc2F)N1 ZINC000587737872 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)ccnc2F)N1 ZINC000587737873 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)ccnc2F)N1 ZINC000587737874 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)ccnc2F)N1 ZINC000587737875 JI Annotated Anodyne COc1cc(I)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587737906 JI Annotated Anodyne COc1cc(I)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587737907 JI Annotated Anodyne COc1cc(I)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587737908 JI Annotated Anodyne COc1cc(I)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587737909 JI Annotated Anodyne C[C@H]1COc2c(F)c(F)cc3c2N1C=C(C(=O)O)[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738020 JI Annotated Anodyne C[C@H]1COc2c(F)c(F)cc3c2N1C=C(C(=O)O)[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738021 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3OC[C@H]1C ZINC000587738022 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3OC[C@@H]1C ZINC000587738023 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3OC[C@@H]1C ZINC000587738024 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3OC[C@H]1C ZINC000587738025 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)ccnc2N(C)C)N1 ZINC000587738308 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)ccnc2N(C)C)N1 ZINC000587738309 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)ccnc2N(C)C)N1 ZINC000587738310 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)ccnc2N(C)C)N1 ZINC000587738311 JI Annotated Anodyne COc1nccc(I)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738324 JI Annotated Anodyne COc1nccc(I)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738325 JI Annotated Anodyne COc1nccc(I)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738326 JI Annotated Anodyne COc1nccc(I)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738327 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738384 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738385 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738386 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738387 JI Annotated Anodyne COc1ccc([C@]2(CCN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587738623 JI Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587738631 JI Annotated Anodyne COc1ccc([C@]2(CCN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587738633 JI Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587738635 JI Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738751 JI Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738753 JI Annotated Anodyne CCn1ncc(I)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738755 JI Annotated Anodyne CCn1ncc(I)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738757 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)cc(Br)cc12 ZINC000587739062 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)cc(Br)cc12 ZINC000587739063 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)cc(Br)cc12 ZINC000587739064 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)cc(Br)cc12 ZINC000587739065 JI Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739216 JI Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739217 JI Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739218 JI Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739219 JI Annotated Anodyne COc1cc(I)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587739252 JI Annotated Anodyne COc1cc(I)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587739253 JI Annotated Anodyne COc1cc(I)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587739254 JI Annotated Anodyne COc1cc(I)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587739255 JI Annotated Anodyne C[C@H]1COc2c(F)c(F)cc3c2N1C=C(C(=O)O)[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739273 JI Annotated Anodyne C[C@H]1COc2c(F)c(F)cc3c2N1C=C(C(=O)O)[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739274 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3OC[C@H]1C ZINC000587739277 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3OC[C@@H]1C ZINC000587739280 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3OC[C@@H]1C ZINC000587739283 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3OC[C@H]1C ZINC000587739286 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587739415 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587739416 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@H](C)C(=O)N(C)C ZINC000587739417 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@H](C)C(=O)N(C)C ZINC000587739418 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587739462 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587739463 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587739464 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587739465 JI Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587739536 JI Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587739537 JI Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587739538 JI Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587739539 JI Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587739636 JI Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587739638 JI Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587739640 JI Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587739641 JI Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739780 JI Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739782 JI Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739784 JI Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739786 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)cc(Br)cc12 ZINC000587740147 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)cc(Br)cc12 ZINC000587740151 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)cc(Br)cc12 ZINC000587740153 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)cc(Br)cc12 ZINC000587740155 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740405 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740407 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740409 JI Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740412 JI Annotated Anodyne C[C@H](Oc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)NN ZINC000587740415 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 ZINC000587740421 JI Annotated Reactive C[C@H](Oc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)NN ZINC000587740423 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 ZINC000587740424 JI Annotated Reactive Cc1nc(O)c(I)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740545 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740546 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740547 JI Annotated Anodyne Cc1nc(O)c(I)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740548 JI Annotated Anodyne CC(=O)Nc1ccc(O)c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587741052 JI Annotated Clean CC(=O)Nc1ccc(O)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587741059 JI Annotated Clean CC(=O)Nc1ccc(O)c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587741060 JI Annotated Clean CC(=O)Nc1ccc(O)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587741061 JI Annotated Clean CC(=O)Nc1ccc(O)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741091 JI Annotated Clean CC(=O)Nc1ccc(O)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741092 JI Annotated Clean CC(=O)Nc1ccc(O)c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741094 JI Annotated Clean CC(=O)Nc1ccc(O)c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741097 JI Annotated Clean COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741406 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741424 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741426 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741428 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742177 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742179 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742180 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742182 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742411 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742413 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742415 JI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742417 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587742446 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587742448 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@H](C)C(=O)N(C)C ZINC000587742449 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@H](C)C(=O)N(C)C ZINC000587742451 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587742559 JI Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587742560 JI Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587742561 JI Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587742562 JI Annotated Bother COc1ccc(OC)c(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742708 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742709 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742710 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742711 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(N)cc1C(=O)c1ccc(N)cc12 ZINC000587742980 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(N)cc1C(=O)c1ccc(N)cc12 ZINC000587742989 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(N)cc1C(=O)c1ccc(N)cc12 ZINC000587742992 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(N)cc1C(=O)c1ccc(N)cc12 ZINC000587742995 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(N)c1N ZINC000587743257 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(N)c1N ZINC000587743260 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(N)c1N ZINC000587743263 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(N)c1N ZINC000587743266 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC2)N1 ZINC000587743284 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC2)N1 ZINC000587743290 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1N ZINC000587743443 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1N ZINC000587743454 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1N ZINC000587743461 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1N ZINC000587743466 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743668 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743674 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743677 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743681 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1nc(N)c(C#N)cc12 ZINC000587743698 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1nc(N)c(C#N)cc12 ZINC000587743709 JI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1nc(N)c(C#N)cc12 ZINC000587743715 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1nc(N)c(C#N)cc12 ZINC000587743723 JI Annotated Mild CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743743 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743744 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743747 JI Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743750 JI Annotated Anodyne COc1ccc([C@]2(CCN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587743751 JI Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587743754 JI Annotated Anodyne COc1ccc([C@]2(CCN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587743756 JI Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587743758 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743792 JI Annotated Bother CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743801 JI Annotated Bother CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743804 JI Annotated Bother CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743808 JI Annotated Bother CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743876 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743889 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743890 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743893 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(N)c1C(=O)c1cccc(N)c12 ZINC000587743966 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(N)c1C(=O)c1cccc(N)c12 ZINC000587743967 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(N)c1C(=O)c1cccc(N)c12 ZINC000587743970 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(N)c1C(=O)c1cccc(N)c12 ZINC000587743973 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC2)N1 ZINC000587744062 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC2)N1 ZINC000587744065 JI Annotated Anodyne CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744173 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744175 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744177 JI Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744179 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 ZINC000587744639 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 ZINC000587744648 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 ZINC000587744650 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 ZINC000587744652 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c(N)c12 ZINC000587744701 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c(N)c12 ZINC000587744706 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c(N)c12 ZINC000587744711 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c(N)c12 ZINC000587744715 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744759 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744761 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744764 JI Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744767 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=[N+]=[N-])([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587744771 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=[N+]=[N-])([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587744783 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=[N+]=[N-])([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587744785 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=[N+]=[N-])([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587744787 JI Annotated Clean CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744820 JI Annotated Bother CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744822 JI Annotated Bother CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744824 JI Annotated Bother CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744826 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)ccc(O)c12 ZINC000587745003 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)ccc(O)c12 ZINC000587745004 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)ccc(O)c12 ZINC000587745005 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)ccc(O)c12 ZINC000587745006 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587745125 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587745128 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587745129 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587745131 JI Annotated Clean COc1ccc(OC)c(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587745147 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587745149 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587745150 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587745153 JI Annotated Anodyne COC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587745276 JI Annotated Bother COC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587745278 JI Annotated Bother COC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587745279 JI Annotated Bother COC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587745281 JI Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587745722 JI Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587745725 JI Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587745728 JI Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587745730 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(N)c(N)c12 ZINC000587745750 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(N)c(N)c12 ZINC000587745845 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(N)c(N)c12 ZINC000587745848 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(N)c(N)c12 ZINC000587745851 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1nc(N)c(C#N)cc12 ZINC000587745856 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1nc(N)c(C#N)cc12 ZINC000587745858 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1nc(N)c(C#N)cc12 ZINC000587745862 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1nc(N)c(C#N)cc12 ZINC000587745867 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(N)c1N ZINC000587745871 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(N)c1N ZINC000587745875 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(N)c1N ZINC000587745879 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(N)c1N ZINC000587745882 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=[N+]=[N-])([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587745886 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=[N+]=[N-])([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587745888 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=[N+]=[N-])([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587745891 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=[N+]=[N-])([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587745893 JI Annotated Clean CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746441 JI Annotated Bother CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746443 JI Annotated Bother CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746446 JI Annotated Bother CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746448 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3C(N)=O)o2)N1 ZINC000587746565 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3C(N)=O)o2)N1 ZINC000587746566 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3C(N)=O)o2)N1 ZINC000587746567 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3C(N)=O)o2)N1 ZINC000587746568 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(CC(N)=O)c2N)N1 ZINC000587746895 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(CC(N)=O)c2N)N1 ZINC000587746896 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(CC(N)=O)c2N)N1 ZINC000587746897 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(CC(N)=O)c2N)N1 ZINC000587746898 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc(N)c12 ZINC000587747036 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc(N)c12 ZINC000587747037 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc(N)c12 ZINC000587747038 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc(N)c12 ZINC000587747039 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 ZINC000587747093 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 ZINC000587747094 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 ZINC000587747095 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 ZINC000587747096 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1N ZINC000587747161 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587747239 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747240 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587747241 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747242 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1N ZINC000587747282 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1N ZINC000587747284 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1N ZINC000587747287 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587747364 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587747366 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587747368 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587747370 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)ccc(N)c12 ZINC000587747622 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)ccc(N)c12 ZINC000587747625 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)ccc(N)c12 ZINC000587747628 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)ccc(N)c12 ZINC000587747630 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c(N)c12 ZINC000587747759 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c(N)c12 ZINC000587747760 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c(N)c12 ZINC000587747761 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c(N)c12 ZINC000587747762 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(N)cc1C(=O)c1ccc(N)cc12 ZINC000587747775 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(N)cc1C(=O)c1ccc(N)cc12 ZINC000587747776 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(N)cc1C(=O)c1ccc(N)cc12 ZINC000587747777 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(N)cc1C(=O)c1ccc(N)cc12 ZINC000587747778 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 ZINC000587747904 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 ZINC000587747914 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 ZINC000587747916 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 ZINC000587747918 JI Annotated Bother CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748010 JI Annotated Bother CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748011 JI Annotated Bother CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748012 JI Annotated Bother CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748013 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 ZINC000587748053 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 ZINC000587748055 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 ZINC000587748057 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 ZINC000587748058 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(N)c1C(=O)c1cccc(N)c12 ZINC000587748142 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(N)c1C(=O)c1cccc(N)c12 ZINC000587748143 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(N)c1C(=O)c1cccc(N)c12 ZINC000587748144 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(N)c1C(=O)c1cccc(N)c12 ZINC000587748145 JI Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] ZINC000587748244 JI Annotated Bother CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] ZINC000587748247 JI Annotated Bother CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] ZINC000587748250 JI Annotated Bother CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] ZINC000587748252 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)ccc(O)c12 ZINC000587748347 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)ccc(O)c12 ZINC000587748350 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)ccc(O)c12 ZINC000587748352 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)ccc(O)c12 ZINC000587748353 JI Annotated Clean COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748441 JI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748444 JI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748445 JI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748446 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587748467 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587748468 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587748469 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587748470 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc(N)c12 ZINC000587748555 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc(N)c12 ZINC000587748558 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc(N)c12 ZINC000587748560 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc(N)c12 ZINC000587748563 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 ZINC000587748650 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 ZINC000587748651 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 ZINC000587748652 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 ZINC000587748653 JI Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587748674 JI Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587748675 JI Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587748676 JI Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587748677 JI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748840 JI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748843 JI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748844 JI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748846 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(N)c(N)c12 ZINC000587748874 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(N)c(N)c12 ZINC000587748875 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(N)c(N)c12 ZINC000587748876 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(N)c(N)c12 ZINC000587748877 JI Annotated Anodyne CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748882 JI Annotated Bother CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748883 JI Annotated Bother CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748884 JI Annotated Bother CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748885 JI Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587748918 JI Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587748919 JI Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587748920 JI Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587748921 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cc(/C=C\C(=O)NO)n(C)c2)N1 ZINC000587748960 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cc(/C=C/C(=O)NO)n(C)c2)N1 ZINC000587748961 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cc(/C=C\C(=O)NO)n(C)c2)N1 ZINC000587748962 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cc(/C=C/C(=O)NO)n(C)c2)N1 ZINC000587748963 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)ccc(N)c12 ZINC000587749046 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)ccc(N)c12 ZINC000587749047 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)ccc(N)c12 ZINC000587749048 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)ccc(N)c12 ZINC000587749049 JI Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] ZINC000587749101 JI Annotated Bother CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] ZINC000587749103 JI Annotated Bother CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] ZINC000587749104 JI Annotated Bother CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] ZINC000587749106 JI Annotated Bother COC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587749165 JI Annotated Bother COC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587749166 JI Annotated Bother COC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587749167 JI Annotated Bother COC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587749168 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587749238 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587749239 JI Annotated Bother CC(C)[C@H](CO)NC/C=C1/C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749601 JI Annotated Mild CC(C)[C@H](CO)NC/C=C1\C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749602 JI Annotated Mild CC(C)[C@H](CO)NC/C=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749603 JI Annotated Mild CC(C)[C@H](CO)NC/C=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749604 JI Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587749653 JI Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587749669 JI Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587749671 JI Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587749674 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000587749738 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000587749740 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000587749742 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000587749744 JI Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587750110 JI Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587750111 JI Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587750113 JI Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587750116 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587750350 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587750352 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587750353 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587750355 JI Annotated Bother CC(C)[C@H](CO)NC/C=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750454 JI Annotated Mild CC(C)[C@H](CO)NC/C=C1\C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750455 JI Annotated Mild CC(C)[C@H](CO)NC/C=C1/C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750456 JI Annotated Mild CC(C)[C@H](CO)NC/C=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750457 JI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(CC(N)=O)c2N)N1 ZINC000587750462 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(CC(N)=O)c2N)N1 ZINC000587750463 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(CC(N)=O)c2N)N1 ZINC000587750464 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(CC(N)=O)c2N)N1 ZINC000587750465 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000587750508 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000587750509 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000587750511 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 ZINC000587750512 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1COC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587750690 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1COC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587750691 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1COC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587750692 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1COC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587750694 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750973 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750974 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750977 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750979 JI Annotated Anodyne C[C@H](Oc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)NN ZINC000587751166 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 ZINC000587751167 JI Annotated Reactive C[C@H](Oc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)NN ZINC000587751168 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 ZINC000587751169 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3C(N)=O)o2)N1 ZINC000587751385 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3C(N)=O)o2)N1 ZINC000587751386 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3C(N)=O)o2)N1 ZINC000587751387 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3C(N)=O)o2)N1 ZINC000587751388 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1COC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587751663 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1COC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587751669 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1COC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587751671 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1COC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587751674 JI Annotated Anodyne CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751717 JI Annotated Bother CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751718 JI Annotated Bother CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751719 JI Annotated Bother CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751720 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 ZINC000587752048 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 ZINC000587752049 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 ZINC000587752050 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 ZINC000587752051 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 ZINC000587752301 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 ZINC000587752302 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 ZINC000587752303 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 ZINC000587752304 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(C2CCOCC2)N1 ZINC000587752588 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(C2CCOCC2)N1 ZINC000587752590 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(C2CCOCC2)N1 ZINC000587752593 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(C2CCOCC2)N1 ZINC000587752597 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 ZINC000587752609 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 ZINC000587752610 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 ZINC000587752611 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 ZINC000587752612 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(Cc2ccncc2)N1 ZINC000587752704 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(Cc2ccncc2)N1 ZINC000587752705 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(Cc2ccncc2)N1 ZINC000587752706 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(Cc2ccncc2)N1 ZINC000587752707 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 ZINC000587753294 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 ZINC000587753296 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 ZINC000587753298 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 ZINC000587753300 JI Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587753346 JI Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587753348 JI Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587753350 JI Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587753351 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 ZINC000587753381 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 ZINC000587753382 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 ZINC000587753383 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 ZINC000587753384 JI Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587754623 JI Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587754624 JI Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587754625 JI Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587754626 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587754671 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587754672 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(C2CCOCC2)N1 ZINC000587755169 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(C2CCOCC2)N1 ZINC000587755170 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(C2CCOCC2)N1 ZINC000587755171 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(C2CCOCC2)N1 ZINC000587755172 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc2ccnn2C)N1 ZINC000587755514 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc2ccnn2C)N1 ZINC000587755515 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2ccnn2C)N1 ZINC000587755516 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2ccnn2C)N1 ZINC000587755518 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755637 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755638 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755639 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755640 JI Annotated Anodyne COC1=CN(c2ccc(OC)cc2)C(C(=O)O)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755925 JI Annotated Anodyne COC1=CN(c2ccc(OC)cc2)C(C(=O)O)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755926 JI Annotated Anodyne COC1=CN(c2ccc(OC)cc2)C(C(=O)O)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755927 JI Annotated Anodyne COC1=CN(c2ccc(OC)cc2)C(C(=O)O)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755928 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(Cc2ccncc2)N1 ZINC000587756101 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(Cc2ccncc2)N1 ZINC000587756102 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(Cc2ccncc2)N1 ZINC000587756104 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(Cc2ccncc2)N1 ZINC000587756106 JI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756211 JI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756214 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)O)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587756508 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)O)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587756522 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)O)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587756523 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)O)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587756525 JI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756555 JI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756558 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2)N1 ZINC000587756684 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2)N1 ZINC000587756685 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2)N1 ZINC000587756686 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2)N1 ZINC000587756687 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc32)N1 ZINC000587756828 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc32)N1 ZINC000587756830 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc32)N1 ZINC000587756831 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc32)N1 ZINC000587756832 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587757414 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757417 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757420 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587757423 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)O)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587757452 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)O)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587757453 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)O)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587757455 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)O)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587757456 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757483 JI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757484 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587757485 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587757486 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cn(C)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757535 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cn(C)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757536 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cn(C)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757537 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cn(C)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757538 JI Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587757611 JI Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587757612 JI Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587757613 JI Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587757614 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccccc3)[C@@H]2n2cncn2)N1 ZINC000587757623 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]3C2)N1 ZINC000587757628 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]3C2)N1 ZINC000587757629 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccccc3)[C@H]2n2cncn2)N1 ZINC000587757630 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@@H]3C2)N1 ZINC000587757631 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccccc3)[C@@H]2n2cncn2)N1 ZINC000587757632 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@H]3C2)N1 ZINC000587757633 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccccc3)[C@H]2n2cncn2)N1 ZINC000587757634 JI Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758064 JI Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758066 JI Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758069 JI Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758071 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)NC3CC3)c3ccccc23)N1 ZINC000587758132 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)NC3CC3)c3ccccc23)N1 ZINC000587758133 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)NC3CC3)c3ccccc23)N1 ZINC000587758134 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)NC3CC3)c3ccccc23)N1 ZINC000587758135 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758164 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758165 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758166 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758167 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OCc3ccccc3)C[C@@H]2C#N)N1 ZINC000587758672 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OCc3ccccc3)C[C@H]2C#N)N1 ZINC000587758673 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OCc3ccccc3)C[C@@H]2C#N)N1 ZINC000587758674 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OCc3ccccc3)C[C@H]2C#N)N1 ZINC000587758675 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]2OC2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758676 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]2OC2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758677 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]2OC2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758678 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]2OC2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758679 JI Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758784 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587758785 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587758788 JI Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758789 JI Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758793 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587758794 JI Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758797 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587758798 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cn(C)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758976 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cn(C)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758980 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cn(C)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758987 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cn(C)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758990 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759059 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759060 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759061 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759062 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc32)N1 ZINC000587759091 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc32)N1 ZINC000587759092 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc32)N1 ZINC000587759093 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc32)N1 ZINC000587759095 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)NC3CC3)c3ccccc23)N1 ZINC000587759106 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)NC3CC3)c3ccccc23)N1 ZINC000587759107 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)NC3CC3)c3ccccc23)N1 ZINC000587759108 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)NC3CC3)c3ccccc23)N1 ZINC000587759109 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]2OC2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759301 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]2OC2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759303 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]2OC2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759305 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]2OC2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759307 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759312 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759313 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759314 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759315 JI Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(C(=O)O)cn1 ZINC000587759358 JI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(C(=O)O)cn1 ZINC000587759359 JI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(C(=O)O)cn1 ZINC000587759360 JI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(C(=O)O)cn1 ZINC000587759361 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)[C@@H](n3cncn3)[C@H](c3ccccc3)C2)N1 ZINC000587759499 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)[C@H](n3cncn3)[C@H](c3ccccc3)C2)N1 ZINC000587759501 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)[C@H](n3cncn3)[C@@H](c3ccccc3)C2)N1 ZINC000587759503 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)[C@@H](n3cncn3)[C@@H](c3ccccc3)C2)N1 ZINC000587759505 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)C[C@@H]2C#N)N1 ZINC000587759636 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)C[C@H]2C#N)N1 ZINC000587759637 JI Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(C(=O)O)cn1 ZINC000587759662 JI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(C(=O)O)cn1 ZINC000587759664 JI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(C(=O)O)cn1 ZINC000587759666 JI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(C(=O)O)cn1 ZINC000587759668 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc2ccnn2C)N1 ZINC000587759761 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc2ccnn2C)N1 ZINC000587759762 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2ccnn2C)N1 ZINC000587759763 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2ccnn2C)N1 ZINC000587759764 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)C[C@@H]2C#N)N1 ZINC000587759838 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)C[C@H]2C#N)N1 ZINC000587759839 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2)N1 ZINC000587760083 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2)N1 ZINC000587760084 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2)N1 ZINC000587760086 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2)N1 ZINC000587760088 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587760192 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587760193 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587760194 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587760195 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587760196 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587760197 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760206 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760207 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760208 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760209 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760522 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760523 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760524 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760525 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)N(C)C=C2OCc2ccccc2)N1 ZINC000587760999 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)N(C)C=C2OCc2ccccc2)N1 ZINC000587761000 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)N(C)C=C2OCc2ccccc2)N1 ZINC000587761001 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)N(C)C=C2OCc2ccccc2)N1 ZINC000587761002 JI Annotated Anodyne COC1=CN(c2ccc(OC)cc2)C(C(=O)O)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761159 JI Annotated Anodyne COC1=CN(c2ccc(OC)cc2)C(C(=O)O)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761160 JI Annotated Anodyne COC1=CN(c2ccc(OC)cc2)C(C(=O)O)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761161 JI Annotated Anodyne COC1=CN(c2ccc(OC)cc2)C(C(=O)O)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761162 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)N(C)C=C2OCc2ccccc2)N1 ZINC000587761187 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)N(C)C=C2OCc2ccccc2)N1 ZINC000587761188 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)N(C)C=C2OCc2ccccc2)N1 ZINC000587761189 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)N(C)C=C2OCc2ccccc2)N1 ZINC000587761190 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587761353 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587761355 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587761357 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587761359 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587761362 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587761364 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)[C@@H](n3cncn3)[C@H](c3ccccc3)C2)N1 ZINC000587761431 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)[C@H](n3cncn3)[C@H](c3ccccc3)C2)N1 ZINC000587761432 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)[C@H](n3cncn3)[C@@H](c3ccccc3)C2)N1 ZINC000587761433 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)[C@@H](n3cncn3)[C@@H](c3ccccc3)C2)N1 ZINC000587761434 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2)N1 ZINC000587761483 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2)N1 ZINC000587761484 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2)N1 ZINC000587761485 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2)N1 ZINC000587761486 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2)N1 ZINC000587761491 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2)N1 ZINC000587761492 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2)N1 ZINC000587761493 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2)N1 ZINC000587761494 JI Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761545 JI Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761546 JI Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761547 JI Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761548 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OCc3ccccc3)C[C@@H]2C#N)N1 ZINC000587761573 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OCc3ccccc3)C[C@H]2C#N)N1 ZINC000587761574 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OCc3ccccc3)C[C@@H]2C#N)N1 ZINC000587761575 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OCc3ccccc3)C[C@H]2C#N)N1 ZINC000587761576 JI Annotated Mild CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761577 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761578 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761579 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761580 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761954 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761955 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761956 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761957 JI Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762016 JI Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762017 JI Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762019 JI Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762020 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762111 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762119 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762121 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762122 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762123 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762124 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762125 JI Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762127 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762256 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762257 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762258 JI Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762259 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccccc3)[C@@H]2n2cncn2)N1 ZINC000587762344 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccccc3)[C@H]2n2cncn2)N1 ZINC000587762345 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccccc3)[C@@H]2n2cncn2)N1 ZINC000587762346 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccccc3)[C@H]2n2cncn2)N1 ZINC000587762347 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]3C2)N1 ZINC000587762569 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]3C2)N1 ZINC000587762571 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@@H]3C2)N1 ZINC000587762572 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@H]3C2)N1 ZINC000587762573 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762578 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762579 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762580 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762581 JI Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587762582 JI Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587762583 JI Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587762584 JI Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587762585 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587762724 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587762725 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587762726 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587762727 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587762795 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587762796 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587762797 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587762799 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762879 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762882 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762884 JI Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762886 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762964 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762965 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762966 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762967 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763032 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763033 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763034 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763035 JI Annotated Mild COC(=O)c1cc(C)n(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763120 JI Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763121 JI Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763122 JI Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763123 JI Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763140 JI Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763141 JI Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763142 JI Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763143 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763374 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763375 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763376 JI Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763377 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763434 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763435 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763436 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763437 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763476 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763479 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763481 JI Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763483 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)CC1 ZINC000587763949 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)CC1 ZINC000587763952 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)CC1 ZINC000587763954 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)CC1 ZINC000587763956 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764062 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764063 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764064 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764065 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764132 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764133 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764134 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764135 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)CC1 ZINC000587764934 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)CC1 ZINC000587764944 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)CC1 ZINC000587764946 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)CC1 ZINC000587764948 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC/C2=C/N(C)C)N1 ZINC000587764950 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC/C2=C/N(C)C)N1 ZINC000587764954 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC/C2=C\N(C)C)N1 ZINC000587764956 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC/C2=C\N(C)C)N1 ZINC000587764958 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764972 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764974 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764976 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764978 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 ZINC000587765020 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 ZINC000587765023 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 ZINC000587765025 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 ZINC000587765028 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587765155 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587765157 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587765158 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587765160 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765192 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765194 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765196 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765198 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587765480 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587765481 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587765482 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587765483 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)CC1 ZINC000587765510 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)CC1 ZINC000587765511 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)CC1 ZINC000587765512 JI Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)CC1 ZINC000587765513 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 ZINC000587765626 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(OC)cc21 ZINC000587765627 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 ZINC000587765628 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 ZINC000587765629 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 ZINC000587765630 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587765631 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587765632 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587765633 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587765634 JI Annotated Mild CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(OC)cc21 ZINC000587765635 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(OC)cc21 ZINC000587765636 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(OC)cc21 ZINC000587765637 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)([C@@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587765884 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)([C@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587765889 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)([C@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587765891 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)([C@@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587765893 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765944 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765945 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765946 JI Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765947 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(C)CC3)n(C)c3ccccc23)N1 ZINC000587765972 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(C)CC3)n(C)c3ccccc23)N1 ZINC000587765973 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(C)CC3)n(C)c3ccccc23)N1 ZINC000587765974 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(C)CC3)n(C)c3ccccc23)N1 ZINC000587765975 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCC1 ZINC000587766499 JI Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCC1 ZINC000587766501 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCC1 ZINC000587766502 JI Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCC1 ZINC000587766504 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCC1 ZINC000587766596 JI Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCC1 ZINC000587766597 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCC1 ZINC000587766598 JI Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCC1 ZINC000587766600 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587766607 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587766610 JI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587766612 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587766614 JI Annotated Mild CCOC(=O)N1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587766635 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587766637 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587766639 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587766640 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587766643 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587766645 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587766646 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587766647 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587766719 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587766720 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587766721 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587766722 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587767038 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587767041 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587767045 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587767049 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587767152 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587767153 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587767157 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587767159 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)CC1 ZINC000587767241 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)CC1 ZINC000587767245 JI Annotated Anodyne CCCN1C(=O)[C@](O)(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767365 JI Annotated Anodyne CCCN1C(=O)[C@](O)(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767369 JI Annotated Anodyne CCCN1C(=O)[C@](O)(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767373 JI Annotated Anodyne CCCN1C(=O)[C@](O)(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767377 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)CC1 ZINC000587767485 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)CC1 ZINC000587767486 JI Annotated Anodyne CCOC(=O)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767663 JI Annotated Anodyne CCOC(=O)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767669 JI Annotated Anodyne CCOC(=O)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767671 JI Annotated Anodyne CCOC(=O)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767673 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767944 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767947 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767951 JI Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767954 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768214 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768215 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768216 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768217 JI Annotated Anodyne COc1c2c(c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c1OCO3)CCN(C)C2 ZINC000587768486 JI Annotated Anodyne COc1c2c(c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c1OCO3)CCN(C)C2 ZINC000587768488 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587768580 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587768581 JI Annotated Anodyne COc1c2c(c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c3c1OCO3)CCN(C)C2 ZINC000587768664 JI Annotated Anodyne COc1c2c(c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c3c1OCO3)CCN(C)C2 ZINC000587768665 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587768693 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587768695 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587768697 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587768700 JI Annotated Anodyne COc1c2c(c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c1OCO3)CCN(C)C2 ZINC000587768774 JI Annotated Anodyne COc1c2c(c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c1OCO3)CCN(C)C2 ZINC000587768775 JI Annotated Anodyne COc1c2c(c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c3c1OCO3)CCN(C)C2 ZINC000587768776 JI Annotated Anodyne COc1c2c(c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c3c1OCO3)CCN(C)C2 ZINC000587768778 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769060 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769061 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769062 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769063 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587769100 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587769101 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587769102 JI Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587769103 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(C)CC3)n(C)c3ccccc23)N1 ZINC000587769140 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(C)CC3)n(C)c3ccccc23)N1 ZINC000587769141 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(C)CC3)n(C)c3ccccc23)N1 ZINC000587769142 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(C)CC3)n(C)c3ccccc23)N1 ZINC000587769143 JI Annotated Anodyne CCOC(=O)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769243 JI Annotated Anodyne CCOC(=O)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769244 JI Annotated Anodyne CCOC(=O)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769245 JI Annotated Anodyne CCOC(=O)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769246 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587769255 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587769256 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587769258 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587769259 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587769285 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587769287 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587769289 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587769292 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587769505 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587769508 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587769510 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587769513 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769652 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769653 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769654 JI Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769655 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587769724 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587769725 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587769726 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587769727 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587769892 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587769899 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587769905 JI Annotated Anodyne CCN(CC)CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587769912 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2ccccc2O)N1 ZINC000587769972 JI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2ccccc2O)N1 ZINC000587769978 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2ccccc2O)N1 ZINC000587769981 JI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2ccccc2O)N1 ZINC000587769984 JI Annotated Mild Cc1cc(C)cc(N2C=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)O)=N2)c1 ZINC000587770162 JI Annotated Anodyne Cc1cc(C)cc(N2C=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)O)=N2)c1 ZINC000587770165 JI Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587770166 JI Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587770167 JI Annotated Anodyne Cc1cc(C)cc(N2C=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)O)=N2)c1 ZINC000587770168 JI Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587770169 JI Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587770170 JI Annotated Anodyne Cc1cc(C)cc(N2C=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)O)=N2)c1 ZINC000587770171 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587770249 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587770250 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587770251 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587770252 JI Annotated Anodyne CCCN1C(=O)[C@](O)(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587770350 JI Annotated Anodyne CCCN1C(=O)[C@](O)(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587770351 JI Annotated Anodyne CCCN1C(=O)[C@](O)(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587770354 JI Annotated Anodyne CCCN1C(=O)[C@](O)(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587770356 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770526 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770528 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770532 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770535 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770538 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770540 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770542 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770544 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C21CC1 ZINC000587770545 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C21CC1 ZINC000587770552 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C21CC1 ZINC000587770553 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C21CC1 ZINC000587770554 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C21CC1 ZINC000587770565 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C21CC1 ZINC000587770568 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C21CC1 ZINC000587770569 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](C#N)CN(C(=O)OC(C)(C)C)C21CC1 ZINC000587770570 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)([C@@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587770735 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)([C@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587770736 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)([C@@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587770737 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)([C@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587770738 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587771000 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587771001 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587771003 JI Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587771005 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771023 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771025 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771026 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771027 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC/C2=C/N(C)C)N1 ZINC000587771038 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC/C2=C/N(C)C)N1 ZINC000587771040 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC/C2=C\N(C)C)N1 ZINC000587771043 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC/C2=C\N(C)C)N1 ZINC000587771044 JI Annotated Anodyne Cc1ccc([C@]2(c3c(N)nc4n3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771199 JI Annotated Anodyne Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771207 JI Annotated Anodyne Cc1ccc([C@]2(c3c(N)nc4n3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771213 JI Annotated Anodyne Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771217 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771692 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771694 JI Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771696 JI Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771698 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587771877 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587771881 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771916 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771917 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771918 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771921 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771924 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771927 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771929 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771932 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772228 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772230 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772233 JI Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772235 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587772339 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587772340 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587772342 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587772344 JI Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587772365 JI Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587772367 JI Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587772371 JI Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587772374 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(OC)cc21 ZINC000587772404 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(OC)cc21 ZINC000587772406 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(OC)cc21 ZINC000587772410 JI Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(OC)cc21 ZINC000587772413 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773062 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773066 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773070 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773073 JI Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773103 JI Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773105 JI Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773106 JI Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773107 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCOCC1 ZINC000587773156 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCOCC1 ZINC000587773157 JI Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCOCC1 ZINC000587773158 JI Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCOCC1 ZINC000587773159 JI Annotated Anodyne Cc1cc(C)cc(N2C=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)O)=N2)c1 ZINC000587773584 JI Annotated Anodyne Cc1cc(C)cc(N2C=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)O)=N2)c1 ZINC000587773591 JI Annotated Anodyne Cc1cc(C)cc(N2C=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)O)=N2)c1 ZINC000587773593 JI Annotated Anodyne Cc1cc(C)cc(N2C=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)O)=N2)c1 ZINC000587773595 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)N1C(=O)OC(C)(C)C ZINC000587773666 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)N1C(=O)OC(C)(C)C ZINC000587773667 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)N1C(=O)OC(C)(C)C ZINC000587773668 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)N1C(=O)OC(C)(C)C ZINC000587773669 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587773759 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587773760 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587773761 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587773762 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587773763 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587773764 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587773765 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587773766 JI Annotated Anodyne Cc1ccc([C@]2(c3c(N)nc4n3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774320 JI Annotated Anodyne Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774321 JI Annotated Anodyne Cc1ccc([C@]2(c3c(N)nc4n3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774322 JI Annotated Anodyne Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774323 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775136 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775137 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775138 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775139 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2ccccc2O)N1 ZINC000587775236 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2ccccc2O)N1 ZINC000587775238 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2ccccc2O)N1 ZINC000587775240 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2ccccc2O)N1 ZINC000587775242 JI Annotated Mild CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCOCC1 ZINC000587775435 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCOCC1 ZINC000587775436 JI Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCOCC1 ZINC000587775437 JI Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCOCC1 ZINC000587775438 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](CN1CCOCC1)CC2 ZINC000587775529 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](CN1CCOCC1)CC2 ZINC000587775538 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](CN1CCOCC1)CC2 ZINC000587775539 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](CN1CCOCC1)CC2 ZINC000587775541 JI Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775665 JI Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775666 JI Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775667 JI Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775668 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](CN1CCOCC1)CC2 ZINC000587775714 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](CN1CCOCC1)CC2 ZINC000587775715 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](CN1CCOCC1)CC2 ZINC000587775716 JI Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](CN1CCOCC1)CC2 ZINC000587775717 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775722 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775723 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587775732 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587775733 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587775734 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587775735 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)N1 ZINC000587775777 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)N1 ZINC000587775778 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)N1 ZINC000587775779 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)N1 ZINC000587775780 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587776279 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587776280 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587776281 JI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587776282 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)N1 ZINC000587776303 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)N1 ZINC000587776304 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)N1 ZINC000587776305 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)N1 ZINC000587776306 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)N1C(=O)OC(C)(C)C ZINC000587776665 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)N1C(=O)OC(C)(C)C ZINC000587776666 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)N1C(=O)OC(C)(C)C ZINC000587776667 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)N1C(=O)OC(C)(C)C ZINC000587776668 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587777046 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587777047 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1=O ZINC000587777740 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1=O ZINC000587777741 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1=O ZINC000587777743 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1=O ZINC000587777745 JI Annotated Anodyne CCOCCOCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587778595 JI Annotated Bother CCOC(=O)c1c[nH]c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1=O ZINC000587779427 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1=O ZINC000587779428 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1=O ZINC000587779429 JI Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1=O ZINC000587779430 JI Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587781951 JI Annotated Anodyne O=C(Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCc1ccccc1 ZINC000587782186 JI Annotated Anodyne O=C(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)OCc1ccccc1 ZINC000587782530 JI Annotated Anodyne O=C(c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587783833 JI Annotated Anodyne O=C(c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587783838 JI Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1)N1CCOCC1 ZINC000587783954 JI Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1)N1CCOCC1 ZINC000587783955 JI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587784794 JI Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587784795 JI Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587784796 JI Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587784797 JI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587785701 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587785980 JI Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587786023 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587786030 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(CO)cc2[nH]1 ZINC000587786196 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587786874 JI Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(OC)c(C)c4OC)[nH]c3c2)cc1 ZINC000587786918 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587786987 JI Annotated Anodyne COc1cccc(C)c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587787517 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587787553 JI Annotated Anodyne COC(=O)c1ccc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2c1 ZINC000587787642 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587787736 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587788159 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587788202 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587788244 JI Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587788261 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587788278 JI Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587788282 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587788283 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587788284 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587788289 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587788290 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587788298 JI Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587788334 JI Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587788751 JI Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587788756 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789079 JI Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789080 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789081 JI Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789082 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587789109 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587789118 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587789119 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587789121 JI Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587789446 JI Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587789455 JI Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587789458 JI Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587789460 JI Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789543 JI Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789544 JI Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789545 JI Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789546 JI Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n2c([nH]c3ccccc32)c1C#N ZINC000587789643 JI Annotated Mild Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n2c([nH]c3ccccc32)c1C#N ZINC000587789647 JI Annotated Mild Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n2c([nH]c3ccccc32)c1C#N ZINC000587789649 JI Annotated Mild Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n2c([nH]c3ccccc32)c1C#N ZINC000587789652 JI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(c3ccccc3)N(C)c3ncnn3C2)N1 ZINC000587789941 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(c3ccccc3)N(C)c3ncnn3C2)N1 ZINC000587789969 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(c3ccccc3)N(C)c3ncnn3C2)N1 ZINC000587789972 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(c3ccccc3)N(C)c3ncnn3C2)N1 ZINC000587789973 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587790063 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587790064 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587790065 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587790066 JI Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790236 JI Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790240 JI Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790242 JI Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790244 JI Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790246 JI Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790248 JI Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790249 JI Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790250 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCCCC3)nc3ccccn3c2=O)N1 ZINC000587790367 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCCCC3)nc3ccccn3c2=O)N1 ZINC000587790368 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCCCC3)nc3ccccn3c2=O)N1 ZINC000587790369 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCCCC3)nc3ccccn3c2=O)N1 ZINC000587790372 JI Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587790595 JI Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587790596 JI Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587790597 JI Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587790598 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790927 JI Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790928 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790929 JI Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790930 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)O[C@H]2[C@@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587791223 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)O[C@@H]2[C@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587791224 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)O[C@@H]2[C@@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587791225 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)O[C@H]2[C@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587791226 JI Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791868 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@H]2N[C@@H](C)Cc4ccc(F)c(Br)c42)OCO3)n1 ZINC000587791869 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@@H]2N[C@@H](C)Cc4ccc(F)c(Br)c42)OCO3)n1 ZINC000587791870 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@H]2N[C@H](C)Cc4ccc(F)c(Br)c42)OCO3)n1 ZINC000587791871 JI Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791872 JI Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791873 JI Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791874 JI Annotated Anodyne COc1cc(OCCCC(=O)O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791931 JI Annotated Anodyne COc1cc(OCCCC(=O)O)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791932 JI Annotated Anodyne COc1cc(OCCCC(=O)O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791933 JI Annotated Anodyne COc1cc(OCCCC(=O)O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791934 JI Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587791979 JI Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587791980 JI Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587791981 JI Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587791982 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)O[C@H]2[C@@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587792037 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)O[C@@H]2[C@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587792041 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)O[C@@H]2[C@@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587792044 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)O[C@H]2[C@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587792046 JI Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792199 JI Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792201 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587792289 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587792292 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587792294 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587792296 JI Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792379 JI Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792380 JI Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792381 JI Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792382 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@@H]2N[C@H](C)Cc4ccc(F)c(Br)c42)OCO3)n1 ZINC000587792412 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792676 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792677 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792679 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792681 JI Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(=O)O ZINC000587792937 JI Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(=O)O ZINC000587792939 JI Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(=O)O ZINC000587792941 JI Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(=O)O ZINC000587792943 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(-c3ccc4c(c3)OCO4)no2)N1 ZINC000587793026 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(-c3ccc4c(c3)OCO4)no2)N1 ZINC000587793029 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(-c3ccc4c(c3)OCO4)no2)N1 ZINC000587793032 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(-c3ccc4c(c3)OCO4)no2)N1 ZINC000587793035 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(c3ccccc3)N(C)c3ncnn3C2)N1 ZINC000587793110 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(c3ccccc3)N(C)c3ncnn3C2)N1 ZINC000587793111 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(c3ccccc3)N(C)c3ncnn3C2)N1 ZINC000587793113 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(c3ccccc3)N(C)c3ncnn3C2)N1 ZINC000587793114 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793141 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793143 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793145 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587793146 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793147 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587793149 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587793151 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-n1c2nc2ccccc2c1=O ZINC000587793153 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C1=C2C(C)(C)C(=O)N1 ZINC000587793243 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C1=C2C(C)(C)C(=O)N1 ZINC000587793244 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C1=C2C(C)(C)C(=O)N1 ZINC000587793245 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C1=C2C(C)(C)C(=O)N1 ZINC000587793246 JI Annotated Anodyne CCOC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587793504 JI Annotated Anodyne CCOC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587793505 JI Annotated Anodyne CCOC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587793506 JI Annotated Anodyne CCOC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587793507 JI Annotated Anodyne CCc1cc2c(cc1O)OC(N)=C(c1ncc(C)[nH]1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793608 JI Annotated Anodyne CCc1cc2c(cc1O)OC(N)=C(c1ncc(C)[nH]1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793609 JI Annotated Anodyne CCc1cc2c(cc1O)OC(N)=C(c1ncc(C)[nH]1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793610 JI Annotated Anodyne CCc1cc2c(cc1O)OC(N)=C(c1ncc(C)[nH]1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793611 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587793785 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587793787 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587793790 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587793792 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587793889 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O[C@H](C)C(=O)O ZINC000587793892 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587793894 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O[C@H](C)C(=O)O ZINC000587793896 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794031 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794062 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794064 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794065 JI Annotated Anodyne CCOC(=O)COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587794088 JI Annotated Anodyne CCOC(=O)COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587794090 JI Annotated Anodyne CCOC(=O)COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587794091 JI Annotated Anodyne CCOC(=O)COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587794093 JI Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(=O)O ZINC000587794126 JI Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(=O)O ZINC000587794128 JI Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(=O)O ZINC000587794129 JI Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(=O)O ZINC000587794131 JI Annotated Anodyne CCc1cc2c(cc1O)OC(N)=C(c1ncc(C)[nH]1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794225 JI Annotated Anodyne CCc1cc2c(cc1O)OC(N)=C(c1ncc(C)[nH]1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794228 JI Annotated Anodyne CCc1cc2c(cc1O)OC(N)=C(c1ncc(C)[nH]1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794229 JI Annotated Anodyne CCc1cc2c(cc1O)OC(N)=C(c1ncc(C)[nH]1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794230 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587794495 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587794497 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587794499 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587794501 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587794560 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O[C@H](C)C(=O)O ZINC000587794562 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587794564 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O[C@H](C)C(=O)O ZINC000587794565 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794866 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794867 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587794868 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587794869 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587794870 JI Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587794871 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@H](C)C(=O)O ZINC000587795042 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@@H](C)C(=O)O ZINC000587795045 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@@H](C)C(=O)O ZINC000587795048 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@H](C)C(=O)O ZINC000587795051 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795181 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795184 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(-c3ccc4c(c3)OCO4)no2)N1 ZINC000587795323 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(-c3ccc4c(c3)OCO4)no2)N1 ZINC000587795325 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(-c3ccc4c(c3)OCO4)no2)N1 ZINC000587795326 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(-c3ccc4c(c3)OCO4)no2)N1 ZINC000587795329 JI Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n2c([nH]c3ccccc32)c1C#N ZINC000587795532 JI Annotated Mild Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n2c([nH]c3ccccc32)c1C#N ZINC000587795533 JI Annotated Mild Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n2c([nH]c3ccccc32)c1C#N ZINC000587795534 JI Annotated Mild Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n2c([nH]c3ccccc32)c1C#N ZINC000587795536 JI Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795630 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795631 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795632 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795633 JI Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795698 JI Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795700 JI Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795702 JI Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795704 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795937 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795940 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795943 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795945 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCCCC3)nc3ccccn3c2=O)N1 ZINC000587796089 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCCCC3)nc3ccccn3c2=O)N1 ZINC000587796090 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCCCC3)nc3ccccn3c2=O)N1 ZINC000587796091 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCCCC3)nc3ccccn3c2=O)N1 ZINC000587796092 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)N1 ZINC000587796112 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)N1 ZINC000587796113 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)N1 ZINC000587796114 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)N1 ZINC000587796115 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796216 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796217 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796218 JI Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796219 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOC(C)=O ZINC000587796504 JI Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOC(C)=O ZINC000587796506 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOC(C)=O ZINC000587796508 JI Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOC(C)=O ZINC000587796510 JI Annotated Anodyne CCOC(=O)COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587796556 JI Annotated Anodyne CCOC(=O)COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587796557 JI Annotated Anodyne CCOC(=O)COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587796558 JI Annotated Anodyne CCOC(=O)COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587796559 JI Annotated Anodyne Cc1cc(C)c(O)c([C@@]2(CC3CC(=O)NC(=O)C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587796662 JI Annotated Clean Cc1cc(C)c(O)c([C@]2(CC3CC(=O)NC(=O)C3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587796665 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C1=C2C(C)(C)C(=O)N1 ZINC000587796668 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C1=C2C(C)(C)C(=O)N1 ZINC000587796669 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C1=C2C(C)(C)C(=O)N1 ZINC000587796670 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C1=C2C(C)(C)C(=O)N1 ZINC000587796671 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796702 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796703 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796704 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796705 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797029 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797031 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797033 JI Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797034 JI Annotated Anodyne Cc1cc(C)c(O)c([C@]2(CC3CC(=O)NC(=O)C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587797231 JI Annotated Clean Cc1cc(C)c(O)c([C@@]2(CC3CC(=O)NC(=O)C3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587797233 JI Annotated Clean CCCOc1ccc([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797508 JI Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797509 JI Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797510 JI Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797511 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@H](C)C(=O)O ZINC000587798424 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@@H](C)C(=O)O ZINC000587798425 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@@H](C)C(=O)O ZINC000587798426 JI Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@H](C)C(=O)O ZINC000587798427 JI Annotated Anodyne COc1cc(OCCCC(=O)O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798502 JI Annotated Anodyne COc1cc(OCCCC(=O)O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798504 JI Annotated Anodyne COc1cc(OCCCC(=O)O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798506 JI Annotated Anodyne COc1cc(OCCCC(=O)O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798508 JI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOC(C)=O ZINC000587798514 JI Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOC(C)=O ZINC000587798515 JI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOC(C)=O ZINC000587798516 JI Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOC(C)=O ZINC000587798518 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)N1 ZINC000587798774 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)N1 ZINC000587798777 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)N1 ZINC000587798779 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)N1 ZINC000587798781 JI Annotated Anodyne CCOC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798817 JI Annotated Anodyne CCOC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798818 JI Annotated Anodyne CCOC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798820 JI Annotated Anodyne CCOC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798821 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@@H]2N[C@@H](C)Cc4cc(Br)c(F)cc42)OCO3)n1 ZINC000587798867 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@H]2N[C@@H](C)Cc4cc(Br)c(F)cc42)OCO3)n1 ZINC000587798870 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@@H]2N[C@H](C)Cc4cc(Br)c(F)cc42)OCO3)n1 ZINC000587798872 JI Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@H]2N[C@H](C)Cc4cc(Br)c(F)cc42)OCO3)n1 ZINC000587798874 JI Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587798914 JI Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587798915 JI Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799149 JI Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799152 JI Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799154 JI Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799155 JI Annotated Anodyne Cc1cc(C)c(O)c([C@]2(CC3CC(=O)NC(=O)C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799476 JI Annotated Clean Cc1cc(C)c(O)c([C@@]2(CC3CC(=O)NC(=O)C3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799477 JI Annotated Clean Cc1cc(C)c(O)c([C@@]2(CC3CC(=O)NC(=O)C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799479 JI Annotated Clean Cc1cc(C)c(O)c([C@]2(CC3CC(=O)NC(=O)C3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799481 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587800065 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587800066 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587800067 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587800069 JI Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800264 JI Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800265 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800670 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800672 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800674 JI Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800676 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800998 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800999 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801000 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801001 JI Annotated Anodyne CCOc1ccc(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801345 JI Annotated Anodyne CCOc1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801346 JI Annotated Anodyne CCOc1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801347 JI Annotated Anodyne CCOc1ccc(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801348 JI Annotated Anodyne CCOc1ccc(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802017 JI Annotated Anodyne CCOc1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802018 JI Annotated Anodyne CCOc1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802019 JI Annotated Anodyne CCOc1ccc(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802020 JI Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802139 JI Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802140 JI Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802141 JI Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802142 JI Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587802209 JI Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587802210 JI Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587802211 JI Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587802212 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802241 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802242 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802243 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802244 JI Annotated Anodyne COc1cc(OC)c2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(=O)O)[nH]c2c1 ZINC000587802299 JI Annotated Anodyne COc1cc(OC)c2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(=O)O)[nH]c2c1 ZINC000587802300 JI Annotated Anodyne COc1cc(OC)c2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(=O)O)[nH]c2c1 ZINC000587802301 JI Annotated Anodyne COc1cc(OC)c2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(=O)O)[nH]c2c1 ZINC000587802302 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802367 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802368 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802369 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802370 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802551 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802552 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802553 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802554 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802575 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802576 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802577 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802578 JI Annotated Anodyne CCOC(=O)C[C@]1(COCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802623 JI Annotated Anodyne CCOC(=O)C[C@@]1(COCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802624 JI Annotated Anodyne CCOC(=O)C[C@]1(COCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802625 JI Annotated Anodyne CCOC(=O)C[C@@]1(COCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802626 JI Annotated Anodyne CCOC(=O)C[C@]1(COCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803559 JI Annotated Anodyne CCOC(=O)C[C@@]1(COCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803560 JI Annotated Anodyne CCOC(=O)C[C@]1(COCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803561 JI Annotated Anodyne CCOC(=O)C[C@@]1(COCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803562 JI Annotated Anodyne COc1ccc(/C=C/[C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804523 JI Annotated Anodyne COc1ccc(/C=C/[C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804526 JI Annotated Anodyne COc1ccc(/C=C/[C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804527 JI Annotated Anodyne COc1ccc(/C=C/[C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804529 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804820 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804823 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804824 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804825 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805604 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805611 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805613 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805615 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805721 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805723 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805725 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805727 JI Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587805861 JI Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587805869 JI Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587805871 JI Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587805873 JI Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806179 JI Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806180 JI Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806182 JI Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806183 JI Annotated Anodyne COc1ccc([C@]2(/C=C\C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806185 JI Annotated Anodyne COc1ccc([C@]2(/C=C\C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806188 JI Annotated Anodyne COc1ccc([C@]2(/C=C/C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806189 JI Annotated Anodyne COc1ccc([C@]2(/C=C/C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806191 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587806964 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587806965 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587806966 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587806967 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806992 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806997 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807000 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807004 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807275 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807276 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807277 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807278 JI Annotated Anodyne COc1ccc(/C=C/[C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807301 JI Annotated Anodyne COc1ccc(/C=C/[C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807302 JI Annotated Anodyne COc1ccc(/C=C/[C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807303 JI Annotated Anodyne COc1ccc(/C=C/[C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807304 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807495 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807497 JI Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807499 JI Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807501 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807852 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807853 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807854 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807855 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808169 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808172 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808174 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808176 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808198 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808200 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808202 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808204 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808243 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808245 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808247 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808249 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808483 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808484 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808486 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808488 JI Annotated Anodyne COc1cc(OC)c2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(=O)O)[nH]c2c1 ZINC000587808542 JI Annotated Anodyne COc1cc(OC)c2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(=O)O)[nH]c2c1 ZINC000587808545 JI Annotated Anodyne COc1cc(OC)c2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(=O)O)[nH]c2c1 ZINC000587808547 JI Annotated Anodyne COc1cc(OC)c2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(=O)O)[nH]c2c1 ZINC000587808549 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808571 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808575 JI Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808578 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808582 JI Annotated Anodyne COc1ccc(OC)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808709 JI Annotated Anodyne COc1ccc(OC)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808713 JI Annotated Anodyne COc1ccc(OC)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808716 JI Annotated Anodyne COc1ccc(OC)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808725 JI Annotated Anodyne COc1ccc([C@]2(/C=C\C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808818 JI Annotated Anodyne COc1ccc([C@]2(/C=C\C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808820 JI Annotated Anodyne COc1ccc([C@]2(/C=C/C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808828 JI Annotated Anodyne COc1ccc([C@]2(/C=C/C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808829 JI Annotated Anodyne COc1ccc(OC)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808838 JI Annotated Anodyne COc1ccc(OC)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808839 JI Annotated Anodyne COc1ccc(OC)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808840 JI Annotated Anodyne COc1ccc(OC)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808841 JI Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587808846 JI Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587808847 JI Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587808848 JI Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587808849 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809399 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809401 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809403 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809405 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809858 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809859 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809861 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809862 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587809923 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587809924 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587809925 JI Annotated Anodyne COc1cc(CC(=O)O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587809927 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O ZINC000587810286 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O ZINC000587810287 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O ZINC000587810288 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O ZINC000587810289 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587810856 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587810857 JI Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587810858 JI Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587810859 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810905 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810906 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810907 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810909 JI Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810923 JI Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810925 JI Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810927 JI Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810930 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811147 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811149 JI Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811151 JI Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811153 JI Annotated Anodyne CC(=O)C[C@]1(c2ccc(OC(C)=O)c(OC(C)=O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811986 JI Annotated Anodyne CC(=O)C[C@@]1(c2ccc(OC(C)=O)c(OC(C)=O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811989 JI Annotated Anodyne CC(=O)C[C@]1(c2ccc(OC(C)=O)c(OC(C)=O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811992 JI Annotated Anodyne CC(=O)C[C@@]1(c2ccc(OC(C)=O)c(OC(C)=O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811995 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O ZINC000587812084 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O ZINC000587812085 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O ZINC000587812086 JI Annotated Anodyne CC(=O)Oc1ccc(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O ZINC000587812087 JI Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812716 JI Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812717 JI Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812718 JI Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812719 JI Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813584 JI Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813585 JI Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813586 JI Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813587 JI Annotated Anodyne CC(=O)C[C@]1(c2ccc(OC(C)=O)c(OC(C)=O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813988 JI Annotated Anodyne CC(=O)C[C@@]1(c2ccc(OC(C)=O)c(OC(C)=O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813989 JI Annotated Anodyne CC(=O)C[C@]1(c2ccc(OC(C)=O)c(OC(C)=O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813990 JI Annotated Anodyne CC(=O)C[C@@]1(c2ccc(OC(C)=O)c(OC(C)=O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813991 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822215 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822219 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822220 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822222 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(O)cc2O)(c2ccc(O)cc2O)N1 ZINC000587822461 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(O)cc2O)(c2ccc(O)cc2O)N1 ZINC000587822463 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(O)cc2O)(c2ccc(O)cc2O)N1 ZINC000587822522 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(O)cc2O)(c2ccc(O)cc2O)N1 ZINC000587822523 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822724 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822725 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822726 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822727 JI Annotated Clean CCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823032 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823035 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823037 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823041 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587823044 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587823047 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587823050 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587823052 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823092 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823094 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823095 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823097 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824050 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824052 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824053 JI Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824055 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc(O)c1C(=O)c1c(O)cccc12 ZINC000587826377 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc(O)c1C(=O)c1c(O)cccc12 ZINC000587826378 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CO)cc12 ZINC000587826394 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CO)cc12 ZINC000587826403 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CO)cc12 ZINC000587826409 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CO)cc12 ZINC000587826410 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826940 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826943 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826944 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826945 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CO)cc12 ZINC000587828089 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CO)cc12 ZINC000587828092 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CO)cc12 ZINC000587828094 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CO)cc12 ZINC000587828097 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CO)ccc12 ZINC000587828341 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CO)ccc12 ZINC000587828344 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CO)ccc12 ZINC000587828348 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CO)ccc12 ZINC000587828351 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CO)ccc12 ZINC000587828602 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CO)ccc12 ZINC000587828604 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CO)ccc12 ZINC000587828606 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CO)ccc12 ZINC000587828609 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Oc3ccccc3)cc2)(C(O)O)N1 ZINC000587828687 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Oc3ccccc3)cc2)(C(O)O)N1 ZINC000587828689 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Oc3ccccc3)cc2)(C(O)O)N1 ZINC000587828691 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Oc3ccccc3)cc2)(C(O)O)N1 ZINC000587828693 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587828848 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587828849 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587828850 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587828851 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC=C2OCc2ccccc2)N1 ZINC000587828922 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC=C2OCc2ccccc2)N1 ZINC000587828923 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC=C2OCc2ccccc2)N1 ZINC000587828924 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC=C2OCc2ccccc2)N1 ZINC000587828925 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Oc3ccccc3)cc2)(C(O)O)N1 ZINC000587829905 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Oc3ccccc3)cc2)(C(O)O)N1 ZINC000587829907 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Oc3ccccc3)cc2)(C(O)O)N1 ZINC000587829909 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Oc3ccccc3)cc2)(C(O)O)N1 ZINC000587829911 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC=C2OCc2ccccc2)N1 ZINC000587830343 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC=C2OCc2ccccc2)N1 ZINC000587830345 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC=C2OCc2ccccc2)N1 ZINC000587830347 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC=C2OCc2ccccc2)N1 ZINC000587830349 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(/C=C/c3ccc(O)c(O)c3)OC(=O)C2)N1 ZINC000587830471 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(/C=C\c3ccc(O)c(O)c3)OC(=O)C2)N1 ZINC000587830472 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(/C=C/c3ccc(O)c(O)c3)OC(=O)C2)N1 ZINC000587830473 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(/C=C\c3ccc(O)c(O)c3)OC(=O)C2)N1 ZINC000587830474 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc(O)c12 ZINC000587830491 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc(O)c12 ZINC000587830492 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc(O)c12 ZINC000587830494 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc(O)c12 ZINC000587830496 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587830821 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587830823 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587830826 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587830827 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587830891 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587830892 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587830893 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587830894 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830932 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830933 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830934 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830935 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831509 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831516 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831521 JI Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831528 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(O)cccc1C(=O)c1cc(C(=O)O)cc(O)c12 ZINC000587832102 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(O)cccc1C(=O)c1cc(C(=O)O)cc(O)c12 ZINC000587832110 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(O)cccc1C(=O)c1cc(C(=O)O)cc(O)c12 ZINC000587832112 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(O)cccc1C(=O)c1cc(C(=O)O)cc(O)c12 ZINC000587832115 JI Annotated Clean COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832177 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832178 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832179 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832180 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)OCCCO3)N1 ZINC000587832306 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)OCCCO3)N1 ZINC000587832309 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)OCCCO3)N1 ZINC000587832312 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)OCCCO3)N1 ZINC000587832315 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832338 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832341 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832343 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832345 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O)cc12 ZINC000587832551 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O)cc12 ZINC000587832553 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O)cc12 ZINC000587832556 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O)cc12 ZINC000587832559 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(O)c1C(=O)c1cccc(O)c12 ZINC000587832635 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(O)c1C(=O)c1cccc(O)c12 ZINC000587832637 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(O)c1C(=O)c1cccc(O)c12 ZINC000587832639 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(O)c1C(=O)c1cccc(O)c12 ZINC000587832641 JI Annotated Clean Cc1cc(O)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(O)cc(O)c1C2=O ZINC000587832662 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(O)cc(O)c1C2=O ZINC000587832663 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(O)cc(O)c1C2=O ZINC000587832664 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(O)cc(O)c1C2=O ZINC000587832665 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832821 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832822 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832823 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832824 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832829 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832830 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832831 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587832832 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587832851 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587832852 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587832853 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587832854 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(O)cccc1C(=O)c1cccc(O)c12 ZINC000587833191 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(O)cccc1C(=O)c1cccc(O)c12 ZINC000587833193 JI Annotated Clean Cc1cc(O)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(O)cc(O)c1C2=O ZINC000587833233 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(O)cc(O)c1C2=O ZINC000587833236 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(O)cc(O)c1C2=O ZINC000587833238 JI Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(O)cc(O)c1C2=O ZINC000587833239 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(O)c1C(=O)c1cccc(O)c12 ZINC000587833241 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(O)c1C(=O)c1cccc(O)c12 ZINC000587833243 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(O)c1C(=O)c1cccc(O)c12 ZINC000587833246 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(O)c1C(=O)c1cccc(O)c12 ZINC000587833249 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(O)cccc1C(=O)c1cc(C(=O)O)cc(O)c12 ZINC000587833346 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(O)cccc1C(=O)c1cc(C(=O)O)cc(O)c12 ZINC000587833348 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(O)cccc1C(=O)c1cc(C(=O)O)cc(O)c12 ZINC000587833351 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(O)cccc1C(=O)c1cc(C(=O)O)cc(O)c12 ZINC000587833354 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587833554 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587833555 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587833558 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587833562 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc(O)c1C(=O)c1c(O)cccc12 ZINC000587833674 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc(O)c1C(=O)c1c(O)cccc12 ZINC000587833678 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(/C=C\c3ccc(O)c(O)c3)OC(=O)C2)N1 ZINC000587833877 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(/C=C/c3ccc(O)c(O)c3)OC(=O)C2)N1 ZINC000587833878 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587833994 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587834000 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587834003 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587834006 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(/C=C/c3ccc(O)c(O)c3)OC(=O)C2)N1 ZINC000587834039 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(/C=C\c3ccc(O)c(O)c3)OC(=O)C2)N1 ZINC000587834041 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587834072 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587834074 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587834077 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587834079 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(O)cc1C(=O)c1ccc(O)cc12 ZINC000587834132 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(O)cc1C(=O)c1ccc(O)cc12 ZINC000587834135 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(O)cc1C(=O)c1ccc(O)cc12 ZINC000587834137 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(O)cc1C(=O)c1ccc(O)cc12 ZINC000587834140 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587834219 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587834220 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587834221 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc3c(c2)OCCO3)N1 ZINC000587834222 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(O)cccc1C(=O)c1cccc(O)c12 ZINC000587834275 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(O)cccc1C(=O)c1cccc(O)c12 ZINC000587834278 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(O)c(O)c12 ZINC000587834299 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(O)c(O)c12 ZINC000587834300 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(O)c(O)c12 ZINC000587834302 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(O)c(O)c12 ZINC000587834303 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587834329 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587834332 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587834334 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587834339 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc(O)c12 ZINC000587834529 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc(O)c12 ZINC000587834531 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc(O)c12 ZINC000587834533 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc(O)c12 ZINC000587834535 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(O)c1O ZINC000587834621 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(O)c1O ZINC000587834624 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(O)c1O ZINC000587834627 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(O)c1O ZINC000587834629 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O)cc12 ZINC000587834976 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O)cc12 ZINC000587834978 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O)cc12 ZINC000587834981 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O)cc12 ZINC000587834983 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587835128 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587835129 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587835132 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587835134 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587835159 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587835162 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587835165 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587835168 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(O)c1O ZINC000587835171 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(O)c1O ZINC000587835172 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(O)c1O ZINC000587835174 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(O)c1O ZINC000587835175 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(O)c(O)c12 ZINC000587835251 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(O)c(O)c12 ZINC000587835256 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(O)c(O)c12 ZINC000587835259 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(O)c(O)c12 ZINC000587835260 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)OCCCO3)N1 ZINC000587835516 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)OCCCO3)N1 ZINC000587835518 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)OCCCO3)N1 ZINC000587835519 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)OCCCO3)N1 ZINC000587835520 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587835645 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587835646 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587835647 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587835648 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(O)cc1C(=O)c1ccc(O)cc12 ZINC000587835817 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(O)cc1C(=O)c1ccc(O)cc12 ZINC000587835819 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(O)cc1C(=O)c1ccc(O)cc12 ZINC000587835822 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(O)cc1C(=O)c1ccc(O)cc12 ZINC000587835825 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587836277 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587836278 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587836279 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587836280 JI Annotated Clean CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836361 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836362 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836363 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836364 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836469 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836470 JI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836471 JI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836472 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]32)N1 ZINC000587836613 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]32)N1 ZINC000587836614 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]32)N1 ZINC000587836615 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]32)N1 ZINC000587836616 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12)OCC(C)(C)CO3 ZINC000587836929 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12)OCC(C)(C)CO3 ZINC000587836930 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)OCC(C)(C)CO3 ZINC000587836931 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)OCC(C)(C)CO3 ZINC000587836932 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@](C)(O)[C@@H]3[C@H]4OC(=O)[C@@H](C)[C@@H]4CC[C@]32C)N1 ZINC000587837471 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@](C)(O)[C@@H]3[C@H]4OC(=O)[C@@H](C)[C@@H]4CC[C@]32C)N1 ZINC000587837472 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2[C@](C)(O)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837473 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2[C@](C)(O)C=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837474 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N1 ZINC000587837902 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N1 ZINC000587837923 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N1 ZINC000587837924 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N1 ZINC000587837926 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587837981 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587837986 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587837987 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587837989 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1 ZINC000587838647 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1 ZINC000587838648 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(NS(C)(=O)=O)cc2)([C@@H](C)Cl)N1 ZINC000587838697 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(NS(C)(=O)=O)cc2)([C@@H](C)Cl)N1 ZINC000587838698 JI Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838699 JI Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838700 JI Annotated Reactive Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587839000 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587839002 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587839003 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587839004 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839005 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839007 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839008 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839009 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@](C)(O)[C@@H]3[C@H]4OC(=O)[C@@H](C)[C@@H]4CC[C@]32C)N1 ZINC000587839078 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@](C)(O)[C@@H]3[C@H]4OC(=O)[C@@H](C)[C@@H]4CC[C@]32C)N1 ZINC000587839079 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2[C@](C)(O)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839081 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2[C@](C)(O)C=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839083 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839255 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839256 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839258 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839260 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 ZINC000587839262 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 ZINC000587839263 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 ZINC000587839265 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 ZINC000587839267 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCc3ccco3)cc2)N1 ZINC000587839337 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccco3)cc2)N1 ZINC000587839338 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCc3ccco3)cc2)N1 ZINC000587839339 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccco3)cc2)N1 ZINC000587839340 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)OCC(C)(C)CO3 ZINC000587839381 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)OCC(C)(C)CO3 ZINC000587839382 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12)OCC(C)(C)CO3 ZINC000587839384 JI Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12)OCC(C)(C)CO3 ZINC000587839385 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 ZINC000587839404 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 ZINC000587839408 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 ZINC000587839410 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 ZINC000587839411 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587839445 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587839448 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587839449 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587839451 JI Annotated Anodyne CCN(c1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)S(C)(=O)=O ZINC000587839645 JI Annotated Reactive CCN(c1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)S(C)(=O)=O ZINC000587839670 JI Annotated Reactive CCN(c1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)S(C)(=O)=O ZINC000587839673 JI Annotated Reactive CCN(c1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)S(C)(=O)=O ZINC000587839674 JI Annotated Reactive CCCCNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839703 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839732 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839733 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839735 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587839847 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587839849 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587839851 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587839853 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(NS(C)(=O)=O)cc2)([C@@H](C)Cl)N1 ZINC000587839903 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(NS(C)(=O)=O)cc2)([C@@H](C)Cl)N1 ZINC000587839905 JI Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839907 JI Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839908 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(S(N)(=O)=O)c2)(C2CC2)N1 ZINC000587840108 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(S(N)(=O)=O)c2)(C2CC2)N1 ZINC000587840109 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(S(N)(=O)=O)c2)(C2CC2)N1 ZINC000587840110 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(S(N)(=O)=O)c2)(C2CC2)N1 ZINC000587840111 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587840112 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587840113 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840130 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840131 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840385 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840386 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840388 JI Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840389 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]32)N1 ZINC000587840594 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]32)N1 ZINC000587840595 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]32)N1 ZINC000587840596 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]32)N1 ZINC000587840597 JI Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840614 JI Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840615 JI Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840616 JI Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840617 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840618 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840619 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840620 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840621 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(S(N)(=O)=O)c2)(C2CC2)N1 ZINC000587840642 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(S(N)(=O)=O)c2)(C2CC2)N1 ZINC000587840643 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(S(N)(=O)=O)c2)(C2CC2)N1 ZINC000587840644 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(S(N)(=O)=O)c2)(C2CC2)N1 ZINC000587840645 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 ZINC000587840654 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 ZINC000587840655 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 ZINC000587840656 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 ZINC000587840657 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587840662 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587840663 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587840664 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587840665 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 ZINC000587840856 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 ZINC000587840857 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 ZINC000587840858 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 ZINC000587840859 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 ZINC000587840995 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 ZINC000587840997 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 ZINC000587840998 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 ZINC000587840999 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)N1 ZINC000587841008 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)N1 ZINC000587841009 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)N1 ZINC000587841011 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)N1 ZINC000587841012 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587841014 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587841016 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587841017 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587841018 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N1 ZINC000587841045 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N1 ZINC000587841046 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N1 ZINC000587841047 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N1 ZINC000587841048 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841174 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841175 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841176 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841177 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 ZINC000587841178 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 ZINC000587841179 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 ZINC000587841180 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 ZINC000587841181 JI Annotated Anodyne Cc1nc(SCC(=O)O)c(C#N)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841395 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841400 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841401 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841402 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 ZINC000587841439 JI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 ZINC000587841446 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 ZINC000587841448 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 ZINC000587841450 JI Annotated Bother COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nnnn1C ZINC000587841489 JI Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nnnn1C ZINC000587841491 JI Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nnnn1C ZINC000587841492 JI Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nnnn1C ZINC000587841494 JI Annotated Anodyne CC(=O)Nc1sc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)O ZINC000587841764 JI Annotated Anodyne CC(=O)Nc1sc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)O ZINC000587841769 JI Annotated Anodyne CC(=O)Nc1sc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)O ZINC000587841770 JI Annotated Anodyne CC(=O)Nc1sc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)O ZINC000587841772 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841930 JI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841931 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841933 JI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841934 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cnc(=S)n(C)c2N)N1 ZINC000587842185 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cnc(=S)n(C)c2N)N1 ZINC000587842187 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cnc(=S)n(C)c2N)N1 ZINC000587842188 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cnc(=S)n(C)c2N)N1 ZINC000587842190 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cnc(=S)n(C)c2N)N1 ZINC000587842191 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cnc(=S)n(C)c2N)N1 ZINC000587842193 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cnc(=S)n(C)c2N)N1 ZINC000587842194 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cnc(=S)n(C)c2N)N1 ZINC000587842196 JI Annotated Anodyne CCN(c1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)S(C)(=O)=O ZINC000587842289 JI Annotated Reactive CCN(c1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)S(C)(=O)=O ZINC000587842292 JI Annotated Reactive CCN(c1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)S(C)(=O)=O ZINC000587842294 JI Annotated Reactive CCN(c1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)S(C)(=O)=O ZINC000587842296 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NCc3ccco3)cc2)N1 ZINC000587842375 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccco3)cc2)N1 ZINC000587842376 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NCc3ccco3)cc2)N1 ZINC000587842377 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccco3)cc2)N1 ZINC000587842378 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587842648 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587842649 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587842650 JI Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587842651 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)N1 ZINC000587842656 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)N1 ZINC000587842657 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)N1 ZINC000587842658 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)N1 ZINC000587842659 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842680 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842681 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842682 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842683 JI Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nnnn1C ZINC000587842782 JI Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nnnn1C ZINC000587842783 JI Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nnnn1C ZINC000587842784 JI Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nnnn1C ZINC000587842785 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1 ZINC000587842968 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1 ZINC000587842969 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587843014 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587843016 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587843018 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587843020 JI Annotated Anodyne Cc1nc(SCC(=O)O)c(C#N)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843452 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843454 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843456 JI Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843458 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 ZINC000587843543 JI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 ZINC000587843545 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 ZINC000587843547 JI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 ZINC000587843549 JI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3C[C@@H](C)CS3(=O)=O)c2)N1 ZINC000587843805 JI Annotated Anodyne C[C@@H]1CN(c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)S(=O)(=O)C1 ZINC000587843812 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3C[C@@H](C)CS3(=O)=O)c2)N1 ZINC000587843815 JI Annotated Anodyne C[C@@H]1CN(c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)S(=O)(=O)C1 ZINC000587843818 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccc(Br)cc32)N1 ZINC000587844029 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccc(Br)cc32)N1 ZINC000587844030 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccc(Br)cc32)N1 ZINC000587844031 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccc(Br)cc32)N1 ZINC000587844032 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844846 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844847 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844848 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844849 JI Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845496 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845497 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845498 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845499 JI Annotated Reactive CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845512 JI Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845513 JI Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845514 JI Annotated Anodyne CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845515 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccc(Br)cc32)N1 ZINC000587845679 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccc(Br)cc32)N1 ZINC000587845681 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccc(Br)cc32)N1 ZINC000587845684 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccc(Br)cc32)N1 ZINC000587845687 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1S(=O)(=O)c1cc(C#N)ccc12 ZINC000587846161 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1S(=O)(=O)c1cc(C#N)ccc12 ZINC000587846170 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1S(=O)(=O)c1cc(C#N)ccc12 ZINC000587846173 JI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1S(=O)(=O)c1cc(C#N)ccc12 ZINC000587846176 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(Br)cc2)N1 ZINC000587846328 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(Br)cc2)N1 ZINC000587846329 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(Br)cc2)N1 ZINC000587846330 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(Br)cc2)N1 ZINC000587846331 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)N1 ZINC000587846742 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)N1 ZINC000587846744 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)N1 ZINC000587846745 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)N1 ZINC000587846746 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846844 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846845 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846846 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846847 JI Annotated Anodyne CC(=O)NCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587847329 JI Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587847330 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587847331 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587847332 JI Annotated Reactive CC(=O)Nc1sc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)O ZINC000587847427 JI Annotated Anodyne CC(=O)Nc1sc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)O ZINC000587847428 JI Annotated Anodyne CC(=O)Nc1sc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)O ZINC000587847429 JI Annotated Anodyne CC(=O)Nc1sc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)O ZINC000587847430 JI Annotated Anodyne CC(=O)NCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847519 JI Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847522 JI Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847524 JI Annotated Reactive CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847525 JI Annotated Anodyne CC(=O)NCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847526 JI Annotated Reactive CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847528 JI Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847532 JI Annotated Anodyne CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847536 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(Br)cc2)N1 ZINC000587847681 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(Br)cc2)N1 ZINC000587847683 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(Br)cc2)N1 ZINC000587847685 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(Br)cc2)N1 ZINC000587847687 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Br)S(C)(=O)=O)N1 ZINC000587847700 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)S(C)(=O)=O)N1 ZINC000587847701 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)S(C)(=O)=O)N1 ZINC000587847702 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Br)S(C)(=O)=O)N1 ZINC000587847703 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1S(=O)(=O)c1cc(C#N)ccc12 ZINC000587847812 JI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1S(=O)(=O)c1cc(C#N)ccc12 ZINC000587847813 JI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1S(=O)(=O)c1cc(C#N)ccc12 ZINC000587847814 JI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1S(=O)(=O)c1cc(C#N)ccc12 ZINC000587847815 JI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3C[C@@H](C)CS3(=O)=O)c2)N1 ZINC000587848120 JI Annotated Anodyne C[C@@H]1CN(c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)S(=O)(=O)C1 ZINC000587848121 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3C[C@@H](C)CS3(=O)=O)c2)N1 ZINC000587848122 JI Annotated Anodyne C[C@@H]1CN(c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)S(=O)(=O)C1 ZINC000587848123 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CS(=O)(=O)c2ccccc2)N1 ZINC000587848708 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CS(=O)(=O)c2ccccc2)N1 ZINC000587848709 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CS(=O)(=O)c2ccccc2)N1 ZINC000587848710 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CS(=O)(=O)c2ccccc2)N1 ZINC000587848711 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587848895 JI Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587849049 JI Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587849050 JI Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587849052 JI Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)N1 ZINC000587849072 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)N1 ZINC000587849073 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)N1 ZINC000587849076 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)N1 ZINC000587849079 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849302 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849303 JI Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849304 JI Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849305 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850014 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850015 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850016 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850017 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)c(Br)c2)N1 ZINC000587850018 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)c(Br)c2)N1 ZINC000587850019 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)c(Br)c2)N1 ZINC000587850020 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)c(Br)c2)N1 ZINC000587850021 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2S(C)(=O)=O)N1 ZINC000587850034 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2S(C)(=O)=O)N1 ZINC000587850035 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2S(C)(=O)=O)N1 ZINC000587850036 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2S(C)(=O)=O)N1 ZINC000587850037 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O ZINC000587850462 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O ZINC000587850468 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O ZINC000587850469 JI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O ZINC000587850470 JI Annotated Clean COC(=O)[C@]1(CC(=O)c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850576 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850577 JI Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850578 JI Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850579 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850711 JI Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850713 JI Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850715 JI Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850717 JI Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850796 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850797 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850798 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850799 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850828 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850829 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850830 JI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850831 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Br)S(C)(=O)=O)N1 ZINC000587850860 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)S(C)(=O)=O)N1 ZINC000587850861 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)S(C)(=O)=O)N1 ZINC000587850862 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Br)S(C)(=O)=O)N1 ZINC000587850863 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850882 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850883 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850884 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850885 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850994 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850995 JI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850996 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850997 JI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O ZINC000587850998 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O ZINC000587850999 JI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O ZINC000587851000 JI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O ZINC000587851001 JI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(=O)c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851002 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(=O)c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851003 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(=O)c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851004 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(=O)c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851005 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(=O)c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851296 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(=O)c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851297 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(=O)c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851298 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(=O)c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851299 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CS(=O)(=O)c2ccccc2)N1 ZINC000587851347 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CS(=O)(=O)c2ccccc2)N1 ZINC000587851348 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CS(=O)(=O)c2ccccc2)N1 ZINC000587851349 JI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CS(=O)(=O)c2ccccc2)N1 ZINC000587851350 JI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2S(C)(=O)=O)N1 ZINC000587851501 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2S(C)(=O)=O)N1 ZINC000587851502 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2S(C)(=O)=O)N1 ZINC000587851503 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2S(C)(=O)=O)N1 ZINC000587851505 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCC(O)CC3)nc2Cl)N1 ZINC000587852034 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCC(O)CC3)nc2Cl)N1 ZINC000587852035 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCC(O)CC3)nc2Cl)N1 ZINC000587852036 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCC(O)CC3)nc2Cl)N1 ZINC000587852037 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)c(Br)c2)N1 ZINC000587852238 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)c(Br)c2)N1 ZINC000587852239 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)c(Br)c2)N1 ZINC000587852240 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)c(Br)c2)N1 ZINC000587852241 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852512 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852513 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852514 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852515 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCC(O)CC3)nc2Cl)N1 ZINC000587852818 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCC(O)CC3)nc2Cl)N1 ZINC000587852819 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCC(O)CC3)nc2Cl)N1 ZINC000587852820 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCC(O)CC3)nc2Cl)N1 ZINC000587852821 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852894 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852895 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852896 JI Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852897 JI Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853386 JI Annotated Anodyne CNc1nc(N)c([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853387 JI Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853388 JI Annotated Anodyne CNc1nc(N)c([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853389 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)N1 ZINC000587853518 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)N1 ZINC000587853519 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)N1 ZINC000587853520 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)N1 ZINC000587853521 JI Annotated Anodyne COc1ccc([C@@]2(/C=C3\NC(=O)CS3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853531 JI Annotated Anodyne COc1ccc([C@]2(/C=C3\NC(=O)CS3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853532 JI Annotated Anodyne COc1ccc([C@@]2(/C=C3\NC(=O)CS3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853533 JI Annotated Anodyne COc1ccc([C@]2(/C=C3\NC(=O)CS3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853534 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2cc(Cl)cn2)n1 ZINC000587854415 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(I)cnn1C ZINC000587854711 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)N1 ZINC000587855418 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)N1 ZINC000587855420 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)N1 ZINC000587855423 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)N1 ZINC000587855425 JI Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855990 JI Annotated Anodyne CNc1nc(N)c([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855992 JI Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855995 JI Annotated Anodyne CNc1nc(N)c([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855998 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCC(=O)CC3)nc2Cl)N1 ZINC000587856084 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCC(=O)CC3)nc2Cl)N1 ZINC000587856085 JI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCC(=O)CC3)nc2Cl)N1 ZINC000587856086 JI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCC(=O)CC3)nc2Cl)N1 ZINC000587856087 JI Annotated Anodyne COc1ccccc1[C@@]1(/C=C2\NC(=O)CS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856899 JI Annotated Anodyne COc1ccccc1[C@]1(/C=C2\NC(=O)CS2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856901 JI Annotated Anodyne COc1ccccc1[C@@]1(/C=C2\NC(=O)CS2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856902 JI Annotated Anodyne COc1ccccc1[C@]1(/C=C2\NC(=O)CS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856904 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCC(=O)CC3)nc2Cl)N1 ZINC000587857167 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCC(=O)CC3)nc2Cl)N1 ZINC000587857171 JI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCC(=O)CC3)nc2Cl)N1 ZINC000587857175 JI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCC(=O)CC3)nc2Cl)N1 ZINC000587857178 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000587857481 JI Annotated Bother COc1ccccc1[C@@]1(/C=C2\NC(=O)CS2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857937 JI Annotated Anodyne COc1ccccc1[C@]1(/C=C2\NC(=O)CS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857939 JI Annotated Anodyne COc1ccccc1[C@@]1(/C=C2\NC(=O)CS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857941 JI Annotated Anodyne COc1ccccc1[C@]1(/C=C2\NC(=O)CS2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857942 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O ZINC000587858319 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1n[nH]cc1I ZINC000587858363 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587858754 JI Annotated Anodyne COc1ccc([C@@]2(/C=C3\NC(=O)CS3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858798 JI Annotated Anodyne COc1ccc([C@]2(/C=C3\NC(=O)CS3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858799 JI Annotated Anodyne COc1ccc([C@@]2(/C=C3\NC(=O)CS3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858800 JI Annotated Anodyne COc1ccc([C@]2(/C=C3\NC(=O)CS3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858801 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)cc1I ZINC000587858869 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587858904 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000587858910 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[S@@](=O)Cn1cc(Cl)cn1 ZINC000587858987 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[S@](=O)Cn1cc(Cl)cn1 ZINC000587858988 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1c(O)nc2ccccc2c1=O ZINC000587858994 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1S(=O)(=O)N1CCCC1 ZINC000587859377 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000587859417 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCSSCCC(=O)NN ZINC000587859422 JI Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000587859469 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC000587859517 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc([N+](=O)[O-])c(OC)n1 ZINC000587859985 JI Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000587860161 JI Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000587860368 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2nc(C)cc2C)n1 ZINC000587860373 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1c(O)nc2ccccc2c1=O ZINC000587860533 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(OC)n1 ZINC000587860601 JI Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(OC)n1 ZINC000587860602 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1 ZINC000587860892 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2c1c(Br)nn2C ZINC000587860948 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000587861036 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 ZINC000587861408 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1csc(N2CCOCC2)n1 ZINC000587861840 JI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(N2CCOCC2)n1 ZINC000587861845 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C)c(Br)c1C ZINC000587861883 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(I)n1 ZINC000587862491 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000587862509 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587862743 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587862744 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587862760 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587862761 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000587862801 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000587862805 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(I)c[nH]1 ZINC000587862844 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000587863060 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000587863063 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587863164 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587863172 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000587863187 JI Annotated Anodyne COc1cc(C[C@@](C)(C(=O)O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)ccc1O ZINC000587863200 JI Annotated Anodyne COc1cc(C[C@](C)(C(=O)O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)ccc1O ZINC000587863201 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000587863271 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000587863343 JI Annotated Anodyne CCn1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c(=O)c2ccc(C)nc21 ZINC000587863364 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000587863380 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000587863387 JI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccn(Cc2ccccc2)c1=O ZINC000587863389 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2c(c1)NC1=CCCN1C2=O ZINC000587863400 JI Annotated Anodyne COCCCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc2ccccc2c1=O ZINC000587863447 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 ZINC000587863509 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccsc2c(=O)n1CCN1CCCC1 ZINC000587863594 JI Annotated Anodyne CCCn1nc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c2ccccc2c1=O ZINC000587863643 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(-c2ccc(C)cc2)ccc1=O ZINC000587863655 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000587863687 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C ZINC000587863730 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000587863780 JI Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Br)c(C)nn1C ZINC000587863788 JI Annotated Anodyne C=C1C=C(n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)N2NC(C(F)(F)F)=NC2=N1 ZINC000587863970 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC000587864009 JI Annotated Anodyne COc1ccc(N2C[C@@H](C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)CC2=O)cc1 ZINC000587864031 JI Annotated Anodyne COc1ccc(N2C[C@H](C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)CC2=O)cc1 ZINC000587864032 JI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)Nc2ccccn2)cn1 ZINC000587864068 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(NN)c(Cl)c(N)c1Cl ZINC000587864131 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2c1c(Br)nn2C ZINC000587864614 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)c(C)c1Br ZINC000587864908 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587865041 JI Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000587865267 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(Cn2cc(Cl)cn2)n1 ZINC000587865284 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000587865294 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(Cn2nc(C)cc2C)n1 ZINC000587865515 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587865547 JI Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000587865580 JI Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587865773 JI Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587865774 JI Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O ZINC000587865836 JI Annotated Clean CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000587865991 JI Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C ZINC000587866025 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC000587866215 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000587866233 JI Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1cc(Br)c(C)n1 ZINC000587866395 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1cc(Br)c(C)n1 ZINC000587866397 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1nc(C)c(Br)c1C ZINC000587866434 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587866461 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(=O)c2c(C)cc(C)nc2n1CCOC ZINC000587866481 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587866493 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1c(O)nc2ccccc2c1=O ZINC000587866509 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2cc(Br)ccc2n1 ZINC000587866537 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000587866541 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cccc(Br)c1 ZINC000587866566 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Br)cc1 ZINC000587866594 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1nc(C)c(Br)c1C ZINC000587866599 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1nc(C)c(Br)c1C ZINC000587866604 JI Annotated Anodyne COc1ccc(Br)c(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1N ZINC000587866617 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000587866786 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1csc(N2CCOCC2)n1 ZINC000587866805 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000587866872 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000587866908 JI Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1cc(Br)cn1 ZINC000587866930 JI Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1cc(Br)cn1 ZINC000587866931 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1Br ZINC000587866939 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2c(C)c(Br)ccc2n1 ZINC000587866941 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2cc(Br)cc(C)c2n1 ZINC000587866946 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1S(=O)(=O)N1CCCC1 ZINC000587866972 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(CC)c(=O)c2ccccc12 ZINC000587867018 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587867031 JI Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2cc(Br)c(C)cc2n1 ZINC000587867042 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000587867057 JI Annotated Anodyne COc1ccc(Br)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587867108 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000587867283 JI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC000587867300 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(I)cc1 ZINC000587867321 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(F)cc2)n1 ZINC000587867351 JI Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1Br ZINC000587867414 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000587867431 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(I)c1 ZINC000587867467 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1I ZINC000587867492 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(N)sc1-c1ccc(F)cc1 ZINC000587867504 JI Annotated Anodyne CCCOC(=O)c1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867528 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2cc(C(F)(F)F)ccc2n1 ZINC000587867597 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2 ZINC000587867664 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587867666 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 ZINC000587867667 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587867669 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000587867716 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccccc2F)n1 ZINC000587867738 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000587867749 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000587867750 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccccc2C)n1 ZINC000587867835 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC000587868012 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000587868076 JI Annotated Bother CCOc1ccc(NC(=O)CCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587868193 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000587868256 JI Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000587868297 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Br)c(C(F)(F)F)nn1C ZINC000587868304 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000587868344 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000587868383 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000587868515 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn2c1N[C@@H](C)C[C@@H]2C(F)(F)F ZINC000587868542 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F ZINC000587868543 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F ZINC000587868544 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC000587868546 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000587868598 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 ZINC000587868619 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Cl ZINC000587868625 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000587868659 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 ZINC000587868702 JI Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(N)sc1-c1cccc(F)c1 ZINC000587868806 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 ZINC000587868812 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000587868922 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000587868946 JI Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000587868947 JI Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000587869000 JI Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000587869001 JI Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000587869034 JI Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)F)n1 ZINC000587869042 JI Annotated Anodyne CCOCCCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2ccccc2c1=O ZINC000587869101 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 ZINC000587869113 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 ZINC000587869133 JI Annotated Anodyne CCOc1ccc(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n[nH]2)cc1 ZINC000587869201 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 ZINC000587869356 JI Annotated Anodyne COc1cc2[nH]c3c(-n4nc(-c5ccc(C(F)(F)F)nc5)cc4OC)ncnc3c2cc1OC ZINC000587869358 JI Annotated Anodyne CCOC(=O)c1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587869367 JI Annotated Anodyne CCCCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c2ccccc2c1=O ZINC000587869466 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(CCC(C)C)c(=O)c2ccccc12 ZINC000587869508 JI Annotated Anodyne CCOC(=O)c1c(NC(=O)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)sc(C)c1C ZINC000587869615 JI Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cc(C)nc21 ZINC000587869616 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1 ZINC000587869682 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000587869683 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000587869684 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1S(=O)(=O)NC(C)(C)C ZINC000587869693 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1[nH]nc(Br)c1Br ZINC000587869709 JI Annotated Anodyne COc1ccc(OC)c(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n[nH]2)c1 ZINC000587869761 JI Annotated Anodyne COc1ccc(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n[nH]2)cc1OC ZINC000587869789 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2cc(Br)c(N)n2)cc1 ZINC000587869906 JI Annotated Anodyne COc1cc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc(OC)c1OC ZINC000587869968 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000587870070 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000587870071 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2C ZINC000587870216 JI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CSc2nncn2C)cc1 ZINC000587870234 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC000587870766 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000587870896 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Br)c(C(F)(F)F)nn1C ZINC000587870928 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587871647 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000587871730 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000587871918 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000587872103 JI Annotated Anodyne CCOC(=O)c1c(NC(=O)C(=O)n2nc(-c3cccc(F)c3)cc2OCC)sc(C)c1C ZINC000587872215 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000587872294 JI Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 ZINC000587872517 JI Annotated Bother Nc1nn(Cc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)cc1Br ZINC000587872570 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nnn(Cc2ccccc2)c1-c1cccnc1 ZINC000587872603 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587872618 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1 ZINC000587872630 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000587872631 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000587872632 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000587872652 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 ZINC000587872671 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2 ZINC000587873031 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC(C)C ZINC000587873146 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000587873233 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000587873421 JI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000587873423 JI Annotated Anodyne CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1cc(C(F)(F)F)nn1C ZINC000587873829 JI Annotated Anodyne O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874091 JI Annotated Bother CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1cc(C(F)(F)F)n(C)n1 ZINC000587874166 JI Annotated Anodyne O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874349 JI Annotated Anodyne COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(CBr)c1 ZINC000587874535 JI Annotated Reactive COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)CBr ZINC000587874565 JI Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1C(=O)CBr ZINC000587874620 JI Annotated Reactive COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CBr ZINC000587874651 JI Annotated Reactive COC(=O)c1cc(CBr)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874669 JI Annotated Reactive O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874738 JI Annotated Bother COc1ccc(C(=O)CBr)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874801 JI Annotated Reactive Cc1cc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2CC(C)C)nn1C ZINC000587874864 JI Annotated Anodyne COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)CBr)cc1OC ZINC000587874871 JI Annotated Reactive COc1ccc(NS(=O)(=O)c2cccc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2)cc1 ZINC000587874880 JI Annotated Anodyne COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)c1 ZINC000587874896 JI Annotated Reactive CCOC(=O)c1nn(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(OCC)c1C#N ZINC000587874925 JI Annotated Mild CCOC(=O)c1nn(C(=O)c2ccc(COc3cccc(Cl)c3Cl)o2)c(OCC)c1C#N ZINC000587874928 JI Annotated Mild COC(=O)c1cccc(Br)c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874984 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)cc1CBr ZINC000587875026 JI Annotated Reactive C=C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000587875035 JI Annotated Mild CCOC(=O)c1nn(C(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c(OCC)c1C#N ZINC000587875043 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CBr ZINC000587875055 JI Annotated Reactive CCOC(=O)c1nn(C(=O)c2ccc(COc3cc(C)ccc3Cl)o2)c(OCC)c1C#N ZINC000587875066 JI Annotated Mild O=C(O)C[C@H](Br)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587875067 JI Annotated Reactive O=C(O)C[C@@H](Br)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587875068 JI Annotated Reactive COC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CBr ZINC000587875209 JI Annotated Reactive COC(=O)[C@@H](Br)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587875224 JI Annotated Reactive COC(=O)[C@H](Br)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587875225 JI Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(C(=O)O)ccc1Br ZINC000587875239 JI Annotated Mild COc1cccc(Nc2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)s2)c1 ZINC000587875315 JI Annotated Anodyne CCOC(=O)c1nn(C(=O)c2ccc(COc3c(C)cccc3Cl)o2)c(OCC)c1C#N ZINC000587875332 JI Annotated Mild CCOC(=O)c1nn(C(=O)c2ccc(COc3cc(C)c(Cl)c(C)c3)o2)c(OCC)c1C#N ZINC000587875335 JI Annotated Mild COC(=O)c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587875365 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCBr)cc1 ZINC000587875369 JI Annotated Reactive COC(=O)c1ccc(Br)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587875448 JI Annotated Mild COC(=O)c1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587875452 JI Annotated Mild COC(=O)c1ccc(CBr)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875455 JI Annotated Reactive COC(=O)c1cc(Br)cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587875520 JI Annotated Mild COC(=O)c1ccc(Br)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875630 JI Annotated Mild CCOC(=O)c1nn(C(=O)COc2cc(C)c(Br)cc2C(C)C)c(OCC)c1C#N ZINC000587876164 JI Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c(Br)c1[N+](=O)[O-] ZINC000587876299 JI Annotated Mild COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c(N)c1C ZINC000587876316 JI Annotated Mild COc1cc2oc(=O)cc(CC#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2cc1OC ZINC000587876462 JI Annotated Mild O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876595 JI Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc2c(cc1Br)OCO2 ZINC000587876754 JI Annotated Mild Cc1c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1[N+](=O)[O-] ZINC000587876802 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)cc2c1OCO2 ZINC000587876821 JI Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)c2c(c1)OCO2 ZINC000587876932 JI Annotated Mild O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876987 JI Annotated Anodyne O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876989 JI Annotated Anodyne CCOC(=O)c1nn(C(=O)COc2ccc(C(C)(C)C)cc2Br)c(OCC)c1C#N ZINC000587877040 JI Annotated Mild COC(=O)c1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1C ZINC000587877060 JI Annotated Mild CC(C)(C)OC(=O)n1nc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cccnc21 ZINC000587877207 JI Annotated Mild COc1c([N+](=O)[O-])cc(Cl)c([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877213 JI Annotated Mild Cc1c(N)c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000587877222 JI Annotated Mild COc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587877247 JI Annotated Mild O=C(O)CCc1cc(Br)c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877266 JI Annotated Mild Cc1c(Br)cc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877272 JI Annotated Mild CC(=O)Nc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000587877279 JI Annotated Mild COCCc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877281 JI Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000587877285 JI Annotated Mild CCOc1cc(/C=C/C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877288 JI Annotated Mild CCOc1cc(/C=C\C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877289 JI Annotated Mild COCCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1N ZINC000587877349 JI Annotated Mild O=NCc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877402 JI Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1N ZINC000587877411 JI Annotated Mild COC(=O)c1c(Br)cccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877425 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(Br)c1O ZINC000587877440 JI Annotated Mild COc1ccc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587877443 JI Annotated Mild COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1C=O ZINC000587877444 JI Annotated Mild CCOc1cc(/C=C(\C)[N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877447 JI Annotated Mild CCOc1cc(/C=C(/C)[N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877448 JI Annotated Mild COc1c(Br)cc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877449 JI Annotated Mild CC(=O)c1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877452 JI Annotated Mild O=NCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000587877454 JI Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000587877468 JI Annotated Mild COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCc1ccccn1 ZINC000587877489 JI Annotated Mild CC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1[N+](=O)[O-] ZINC000587877496 JI Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O ZINC000587877517 JI Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(/C=C/C(=O)O)cc1OC ZINC000587877527 JI Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(/C=C\C(=O)O)cc1OC ZINC000587877528 JI Annotated Mild CC(=O)Nc1cc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587877554 JI Annotated Mild CC(=O)Nc1cc(O)c(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877555 JI Annotated Mild COc1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587877574 JI Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)cc1Br ZINC000587877584 JI Annotated Mild COc1c(Br)cc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877657 JI Annotated Mild COc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587877698 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1OC ZINC000587877709 JI Annotated Mild COc1c(Br)cc([C@@H](N)N=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877724 JI Annotated Mild COc1c(Br)cc([C@H](N)N=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877725 JI Annotated Mild CCOc1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)c1O ZINC000587877808 JI Annotated Mild CCCCOc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877832 JI Annotated Mild CCOc1cc(/C=C\C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587877892 JI Annotated Mild CCOc1cc(/C=C/C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587877893 JI Annotated Mild COc1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587877910 JI Annotated Mild COC(=O)c1cc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877924 JI Annotated Mild COc1cc(NC(=O)CCl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587877927 JI Annotated Reactive CC(=O)c1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877938 JI Annotated Mild CCOC(=O)C1CCN(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C#N)CC1 ZINC000587877952 JI Annotated Mild CCCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)cc1OC ZINC000587877985 JI Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c([N+](=O)[O-])c1 ZINC000587878007 JI Annotated Mild COc1cc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878011 JI Annotated Mild N#CCOc1c(Br)cc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878013 JI Annotated Mild CC(=O)c1cc(Br)c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878057 JI Annotated Mild CCCNc1cc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587878139 JI Annotated Mild COC(=O)[C@@H](C#N)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587878142 JI Annotated Mild COC(=O)[C@H](C#N)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587878143 JI Annotated Mild COC(=O)Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587878155 JI Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCC ZINC000587878175 JI Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(OC)OC)cc1OC ZINC000587878182 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587878214 JI Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(/C=C\C(=O)O)cc1OC ZINC000587878232 JI Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(/C=C/C(=O)O)cc1OC ZINC000587878233 JI Annotated Mild COc1cc(NC(C)C)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878267 JI Annotated Mild CC(C)COc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878272 JI Annotated Mild COc1cc([N+](=O)[O-])c(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878293 JI Annotated Mild CCCOc1cc(NC)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878308 JI Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c(C=O)c1O ZINC000587878328 JI Annotated Mild COc1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878353 JI Annotated Mild CCNc1cc(OCC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587878356 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587878370 JI Annotated Mild COc1cc(C(=O)NCc2ccco2)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878384 JI Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878447 JI Annotated Mild N#CCOc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878486 JI Annotated Mild Cc1cc(COc2ccc(C(=O)O)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)on1 ZINC000587878515 JI Annotated Mild CC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878519 JI Annotated Mild Cc1cc(C(CC(=O)O)CC(=O)O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878586 JI Annotated Mild N#CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878599 JI Annotated Mild CCOC(=O)c1ccc(C(=O)OCC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878699 JI Annotated Mild CON(C)C(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000587878722 JI Annotated Mild CCOC(=O)CC(=O)c1ccc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878750 JI Annotated Mild COCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878760 JI Annotated Mild COCCOc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878968 JI Annotated Mild N#CCCn1cc(C=O)c(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587879038 JI Annotated Mild COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccn1C(=O)OC(C)(C)C ZINC000587879071 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Cc1noc([C@@H]2CCCN2)n1 ZINC000587879106 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Cc1noc([C@H]2CCCN2)n1 ZINC000587879107 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1noc([C@@H]2CCCN2)n1 ZINC000587879124 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1noc([C@H]2CCCN2)n1 ZINC000587879125 JI Annotated Mild N#C/C(=C\c1c[nH]nc1-c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879158 JI Annotated Reactive N#C/C(=C/c1c[nH]nc1-c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879160 JI Annotated Reactive O=C(O)CCc1ncc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587879222 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NC(=O)CNCc1ccco1 ZINC000587879647 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1nnc(CNC2CC2)o1 ZINC000587879681 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC000587879911 JI Annotated Mild NC(=O)c1ccc(OCc2ccccc2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879927 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)ccc1OCn1ccc(C(=O)O)n1 ZINC000587879933 JI Annotated Mild COc1c(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C\C(=O)O ZINC000587879962 JI Annotated Mild COc1c(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C/C(=O)O ZINC000587879963 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncnc1Oc1ccc2c(c1)OCO2 ZINC000587879990 JI Annotated Mild Nc1[nH]nc2nc(-c3ccccc3)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587880305 JI Annotated Mild CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880312 JI Annotated Mild CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880316 JI Annotated Mild CC(C)(C)OC(=O)N1CC(Oc2ncccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000587880648 JI Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OCc1ccccn1 ZINC000587880750 JI Annotated Mild CCOC(=O)CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587880751 JI Annotated Mild CN(C)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCc2ccccc2)n1 ZINC000587880843 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)O)ncc(Br)c1Cl ZINC000587880857 JI Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCCCCC1OCCO1 ZINC000587880892 JI Annotated Mild CCCNC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)OC ZINC000587880978 JI Annotated Mild COc1ccc(C=O)cc1Cn1nc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587880998 JI Annotated Mild CC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)NC(C)(C)C ZINC000587881106 JI Annotated Mild CCCC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)OC ZINC000587881192 JI Annotated Mild CCOCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C/C(=O)O ZINC000587881265 JI Annotated Mild CCOCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C\C(=O)O ZINC000587881266 JI Annotated Mild C=C(NNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CC)C(=O)OCC ZINC000587881335 JI Annotated Mild CCOC(=O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881337 JI Annotated Mild CCOC(=O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881338 JI Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCCC1OCCCO1 ZINC000587881390 JI Annotated Mild CN(C)c1nc(OCc2ccccc2)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881524 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2noc([C@@H]3CCCN3)n2)c1 ZINC000587881804 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2noc([C@H]3CCCN3)n2)c1 ZINC000587881805 JI Annotated Mild N#C/C(=C\c1c[nH]nc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587882007 JI Annotated Reactive N#C/C(=C/c1c[nH]nc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587882008 JI Annotated Reactive CC(C)(C)OC(=O)NC1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)COC1 ZINC000587882018 JI Annotated Mild N#CCCn1cc(C=O)c(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000587882034 JI Annotated Mild COC(=O)C1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CCC(=O)CC1 ZINC000587882109 JI Annotated Mild N#CCCn1cc(C(=O)O)c(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000587882146 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CNCC2(O)CCCCC2)c1 ZINC000587882311 JI Annotated Mild CC(C)CNC(=O)[C@H](C)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882364 JI Annotated Mild CC(C)CNC(=O)[C@@H](C)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882365 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-n2ncc3c2CCCC3=O)c1 ZINC000587882412 JI Annotated Mild CC(C)(C)OC(=O)NCC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882436 JI Annotated Mild CCN(/C=C/C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O)CC ZINC000587882617 JI Annotated Mild CCN(/C=C\C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O)CC ZINC000587882618 JI Annotated Mild CC(C)(C)OC(=O)N[C@H](C(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882712 JI Annotated Mild CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882713 JI Annotated Mild Nc1c(-c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O)nc2ccccn12 ZINC000587882738 JI Annotated Mild COC(=O)c1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882812 JI Annotated Mild CCN(CC)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587882974 JI Annotated Mild COC(=O)Cc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882979 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(N2CCOCC2)c1 ZINC000587882991 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCn2ccc(C(=O)O)n2)c(Cl)c1 ZINC000587883073 JI Annotated Mild Cn1c(NCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O)nc2ccccc21 ZINC000587883184 JI Annotated Mild COC(=O)C1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCC(=O)CC1 ZINC000587883203 JI Annotated Mild O=C(O)CCc1ncc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883235 JI Annotated Mild CN1CCc2oc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)nc2C1 ZINC000587883389 JI Annotated Mild CC(C)(C)OC(=O)NC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)COC1 ZINC000587883409 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000587883473 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc([C@H]3CCCN3)n2)cc1 ZINC000587883474 JI Annotated Mild N#CCCn1cc(C#N)c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587883489 JI Annotated Mild O=Cc1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc2ncccn12 ZINC000587883617 JI Annotated Mild O=C1CCC(C(=O)O)(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883675 JI Annotated Mild N#CCCn1cc(C=O)c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587883716 JI Annotated Mild O=C(O)CCc1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)on1 ZINC000587883740 JI Annotated Mild CC(C)C(=O)O[C@H](C(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883835 JI Annotated Mild CC(C)C(=O)O[C@@H](C(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883836 JI Annotated Mild C[C@H](Cl)C(=O)N(C)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883889 JI Annotated Reactive C[C@@H](Cl)C(=O)N(C)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883890 JI Annotated Reactive Nc1ccc(CNC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883891 JI Annotated Mild NCCN[C@H](c1ccccc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884121 JI Annotated Mild NCCN[C@@H](c1ccccc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884123 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](c2ccccn2)N2CCNCC2)cc1 ZINC000587884227 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](c2ccccn2)N2CCNCC2)cc1 ZINC000587884229 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 ZINC000587884246 JI Annotated Mild O=Cc1cn(CC(=O)N2CCCC2)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884264 JI Annotated Mild Cc1nnc(-c2coc3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3c2=O)o1 ZINC000587884483 JI Annotated Mild CCOC(=O)[C@@H](Cl)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884533 JI Annotated Reactive CCOC(=O)[C@H](Cl)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884534 JI Annotated Reactive NC(=O)c1ccccc1OCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884656 JI Annotated Mild Nc1ccccc1N1C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1=O ZINC000587884709 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H](c1ccccc1)NCC(=O)N2 ZINC000587884850 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@H](c1ccccc1)NCC(=O)N2 ZINC000587884852 JI Annotated Mild Nc1c(CC(=O)O)cccc1C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884858 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 ZINC000587884886 JI Annotated Mild COc1ccc([C@H](NCCN)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884958 JI Annotated Mild COc1ccc([C@@H](NCCN)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884961 JI Annotated Mild CCOC(=O)[C@H](NC(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885120 JI Annotated Mild CCOC(=O)[C@@H](NC(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885121 JI Annotated Mild CCOC(=O)c1nocc1C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885168 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1 ZINC000587885184 JI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)C1 ZINC000587885223 JI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)C1 ZINC000587885224 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1C(=O)OC(C)(C)C ZINC000587885237 JI Annotated Mild CC(C)(C)OC(=O)NCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885365 JI Annotated Mild COc1ccc(CNc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C(=O)O)cc1 ZINC000587885449 JI Annotated Mild COc1ccc(/C=C\C(=O)O)cc1Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587885496 JI Annotated Mild COc1ccc(/C=C/C(=O)O)cc1Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587885497 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Cl)c(C(=O)OCC2CC2)c1 ZINC000587885498 JI Annotated Mild Nc1nn(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1Br ZINC000587885638 JI Annotated Mild CCOC(=O)/C(C#N)=C/Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885723 JI Annotated Reactive CCOC(=O)/C(C#N)=C\Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885724 JI Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(NCc2ccccc2)c(C(=O)O)c1 ZINC000587885862 JI Annotated Mild NC1(C(=O)Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCCCC1 ZINC000587885983 JI Annotated Mild Cc1nn(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000587885998 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2nc(CCl)oc12 ZINC000587886077 JI Annotated Reactive CCOC(=O)c1c[nH]c2cc(C)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587886082 JI Annotated Mild CCOC(=O)c1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2cc1N ZINC000587886137 JI Annotated Mild C=CCOc1cc2oc(=O)c(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886160 JI Annotated Mild CC(C)Oc1cc2oc(=O)c(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886190 JI Annotated Mild CCOC(=O)C(Cl)=NNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886426 JI Annotated Mild CN(C)c1nc(C=O)c(Cl)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886499 JI Annotated Mild CCOC(=O)c1[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1C=O ZINC000587886548 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2nn([C@H]3CCCCO3)cc2cc1O ZINC000587886590 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2nn([C@@H]3CCCCO3)cc2cc1O ZINC000587886591 JI Annotated Mild CCCOc1cc2oc(=O)c(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886679 JI Annotated Mild CN(C)/C=C/C(=O)c1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCCCO2 ZINC000587886723 JI Annotated Mild CN(C)/C=C\C(=O)c1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCCCO2 ZINC000587886724 JI Annotated Mild O=Cc1coc2c(CCl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587886730 JI Annotated Reactive Cn1cnc([N+](=O)[O-])c1Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886774 JI Annotated Mild COC(=O)COc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886785 JI Annotated Mild CC(=O)c1cnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1C(=O)O ZINC000587886861 JI Annotated Mild CCOC(=O)c1c[nH]c2c(Cl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587886882 JI Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OCCOC(C)(C)C ZINC000587887169 JI Annotated Mild CC(C)(C)OC(=O)Nc1cc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887173 JI Annotated Mild COC(=O)c1ccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887198 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000587887238 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)NCc2ccccc2)nc1 ZINC000587887248 JI Annotated Mild COc1ccc(CNC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887269 JI Annotated Mild CC(C)(C)OC(=O)N(c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1)C1CC1 ZINC000587887275 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC000587887294 JI Annotated Mild CC(C)(C)c1c(C(=O)O)cnn1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887335 JI Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1CNC(=O)OC(C)(C)C ZINC000587887416 JI Annotated Mild CCOC(=O)c1cccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 ZINC000587887442 JI Annotated Mild COc1ccc(CNc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2N)cc1 ZINC000587887496 JI Annotated Mild COc1ccc(COc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887557 JI Annotated Mild COC(=O)c1cnn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1C(C)(C)C ZINC000587887668 JI Annotated Mild CC(C)(C)OC(=O)[C@H](C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887680 JI Annotated Mild CC(C)(C)OC(=O)[C@@H](C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887681 JI Annotated Mild CC(C)(C)OC(=O)N1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc21 ZINC000587887791 JI Annotated Mild CCOc1c(OC)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)[nH]c12 ZINC000587887831 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2c(c1)C(=O)CCO2 ZINC000587887927 JI Annotated Mild Cc1ccncc1C(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587887965 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2ncnc(O)c2c1 ZINC000587888022 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(-c2c[nH]cc2C(=O)O)cc2c1OCCO2 ZINC000587888096 JI Annotated Mild CC(C)(C)OC(=O)n1ncc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc21 ZINC000587888139 JI Annotated Mild CCCn1nnc2cc(C(=O)OCC)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888186 JI Annotated Mild CN(Cc1ccccc1O)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 ZINC000587888187 JI Annotated Mild CCn1c(CC#N)nc2c(Cl)ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888231 JI Annotated Mild CCOc1c(OC)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C(=O)OC)[nH]c12 ZINC000587888388 JI Annotated Mild N#Cc1cc2cc(Br)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2nc1N ZINC000587888393 JI Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2nc1Cl ZINC000587888455 JI Annotated Mild NNc1[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1Br ZINC000587888469 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]c(C(=O)N2CCc3ccccc3C2)c1 ZINC000587888512 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc2c(O)cc(C(=O)O)nc12 ZINC000587888580 JI Annotated Mild CCOC(=O)c1[nH]c2c(Cl)ccnc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888617 JI Annotated Mild O=Cc1coc2c(Br)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587888620 JI Annotated Mild CCCn1c(C)nc2cc(C(=O)O)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888660 JI Annotated Mild N#Cc1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Br)c2nc1N ZINC000587888693 JI Annotated Mild CON[C@@H](c1ccccc1)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888701 JI Annotated Mild CON[C@H](c1ccccc1)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888711 JI Annotated Mild O=Cc1coc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Br)cc2c1=O ZINC000587888743 JI Annotated Mild N[C@@H](COc1ccc2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N=O ZINC000587888744 JI Annotated Mild N[C@H](COc1ccc2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N=O ZINC000587888746 JI Annotated Mild CCOC(=O)c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(OC)ccc2[nH]1 ZINC000587888756 JI Annotated Mild NNc1[nH]c2ccc(Br)cc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888796 JI Annotated Mild CC(C)(C)OC(=O)N1CCc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1 ZINC000587888823 JI Annotated Mild CCOC(=O)c1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2c1Cl ZINC000587888884 JI Annotated Mild CC(C)(C)OC(=O)N1CC(c2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000587888939 JI Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)nc(C)n2C ZINC000587888977 JI Annotated Mild COC(=O)c1cc(O)c2cc(Cl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587889013 JI Annotated Mild CCn1c(C)nc2cc(C(=O)OC)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587889025 JI Annotated Mild COC(=O)COc1ccc2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889045 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc2c1OCCC2=O ZINC000587889086 JI Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000587889128 JI Annotated Mild CC(C)(C)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ncc(C(=O)O)c2o1 ZINC000587889132 JI Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)[nH]c2c1OC ZINC000587889211 JI Annotated Mild Cc1c(Br)cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000587889257 JI Annotated Mild CN(Cc1ccc(O)cc1)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 ZINC000587889321 JI Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc(Br)c1[N+](=O)[O-] ZINC000587889444 JI Annotated Mild CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889511 JI Annotated Mild COC(OC)c1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC(=O)C(C)(C)C)c1 ZINC000587889513 JI Annotated Mild CC(C)(C)OC(=O)N1CC(Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc2)C1 ZINC000587889540 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)OCc2ccccc2)ccn1 ZINC000587889546 JI Annotated Mild CC(C)(C)OC(=O)N1CCOc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc21 ZINC000587889651 JI Annotated Mild CC(C)(C)C(=O)Nc1cc(CN=O)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889707 JI Annotated Mild C[C@H](NC(=O)OC(C)(C)C)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[nH]1 ZINC000587889754 JI Annotated Mild COc1ccc(COc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(C)n2)cc1 ZINC000587889991 JI Annotated Mild CCOC(=O)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587890150 JI Annotated Mild Cc1nc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000587890182 JI Annotated Mild COc1ccc(Cn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2C=O)cc1 ZINC000587890252 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(Br)cc(Cl)nn12 ZINC000587890323 JI Annotated Mild O=C(O)CN(C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000587890386 JI Annotated Mild CCOC(=O)c1cc(Br)oc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890600 JI Annotated Mild CCOC(=O)c1nc2ccc(Cl)cn2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890691 JI Annotated Mild CC1=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C(=O)C(C(C)C)=C(Br)C1=O ZINC000587890697 JI Annotated Mild CC1=C(Br)C(=O)C(C(C)C)=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C1=O ZINC000587890722 JI Annotated Mild Cc1ccc(Cn2cc(C=O)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000587890739 JI Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)oc1Br ZINC000587890757 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1 ZINC000587891050 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)CC(=O)C(F)(F)F)c1 ZINC000587891087 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CC(=O)C(F)(F)F)cc1 ZINC000587891141 JI Annotated Mild CCOC(=O)c1cn2cc(Cl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587891211 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(O)n2cc(-c3ccccc3)nc12 ZINC000587891254 JI Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000587891367 JI Annotated Mild Nc1nc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587891369 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891371 JI Annotated Mild COC(=O)c1ccc(OC(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587891414 JI Annotated Mild O=C(O)Cc1cc(OC(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891449 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1O ZINC000587891464 JI Annotated Mild COC(=O)c1cc(OC(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891548 JI Annotated Mild COc1cc(CC#N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000587891565 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)ncnc1C(F)(F)F ZINC000587891660 JI Annotated Mild COC(=O)c1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000587891686 JI Annotated Mild CCNS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891701 JI Annotated Mild CS(=O)(=O)c1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891706 JI Annotated Mild Nc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891721 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C(F)(F)F)nc(O)c2c1 ZINC000587891722 JI Annotated Mild COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCC(F)F ZINC000587891724 JI Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC(F)(F)F)c1 ZINC000587891755 JI Annotated Mild Nc1c(OC(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587891756 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1 ZINC000587891767 JI Annotated Mild CCOC(=O)C(F)(F)Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587891810 JI Annotated Mild COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1OC(F)(F)F ZINC000587891855 JI Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587891875 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)ccc1N1CC(CO)C1 ZINC000587891889 JI Annotated Mild Nc1nc(C(F)(F)F)c(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891918 JI Annotated Mild CS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587891956 JI Annotated Mild Nc1c(Br)cc(C(F)(F)F)nc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891958 JI Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c(c1Br)OC(F)(F)O2 ZINC000587891959 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)c2c(=O)cc(C(=O)O)[nH]c12 ZINC000587891969 JI Annotated Mild C[C@H](C(=O)O)n1nc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 ZINC000587891990 JI Annotated Mild C[C@@H](C(=O)O)n1nc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 ZINC000587891993 JI Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000587892030 JI Annotated Mild COc1cc(CC#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC(F)F ZINC000587892069 JI Annotated Mild CS(=O)(=O)c1ccc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892129 JI Annotated Mild O=C(O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000587892136 JI Annotated Mild O=C(O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000587892138 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)cc1O ZINC000587892208 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)N2CCOCC2)c(C(F)(F)F)c1 ZINC000587892252 JI Annotated Mild COC(=O)c1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC(=O)C(F)(F)F ZINC000587892290 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2cc(C(=O)O)nn2)c(C(F)(F)F)c1 ZINC000587892304 JI Annotated Mild NNc1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc(C(F)F)n1 ZINC000587892341 JI Annotated Mild CCOC(=O)Cn1nc(C(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 ZINC000587892412 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587892478 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc([C@H](NCC(F)(F)F)C(=O)O)c1 ZINC000587892489 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc([C@@H](NCC(F)(F)F)C(=O)O)c1 ZINC000587892490 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(O)c(C(F)(F)F)c1F ZINC000587892491 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)OCC(F)(F)F)nc1 ZINC000587892510 JI Annotated Mild N#Cc1c(N)c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC000587892555 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c([N+](=O)[O-])cc(Br)c1F ZINC000587892563 JI Annotated Mild Nc1c(Br)cc2c(c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OC(F)(F)O2 ZINC000587892616 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(NC(=O)C(F)(F)F)c1 ZINC000587892661 JI Annotated Mild CC(=O)Nc1cc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587892719 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000587892779 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)cccc1OCC1(CO)CCC1 ZINC000587892956 JI Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc([N+](=O)[O-])c1NC(=O)C(F)(F)F ZINC000587893042 JI Annotated Mild NC(=S)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587893078 JI Annotated Mild NC(=S)Nc1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893085 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(NC(=O)NCC(F)(F)F)c1 ZINC000587893207 JI Annotated Mild COC(=O)Cc1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893238 JI Annotated Mild CS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587893296 JI Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1-n1cc(C(=O)C(F)(F)F)nn1 ZINC000587893298 JI Annotated Mild CS(=O)(=O)c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587893307 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)c(F)cc(F)c1S(=O)(=O)Cl ZINC000587893586 JI Annotated Unstable N#Cc1c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1F ZINC000587893605 JI Annotated Mild COC(=O)CCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894138 JI Annotated Mild O=C(O)/C=C/c1ccc(-n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c(F)c1 ZINC000587894246 JI Annotated Mild O=C(O)/C=C\c1ccc(-n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c(F)c1 ZINC000587894249 JI Annotated Mild Nc1nc2cc(Br)c(F)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2o1 ZINC000587894285 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)NCc2ccco2)ccc1F ZINC000587894544 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)cc1I ZINC000587894787 JI Annotated Mild COc1ccc(I)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894812 JI Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1I ZINC000587894816 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)O)c1I ZINC000587894845 JI Annotated Mild N#Cc1c(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1I ZINC000587894849 JI Annotated Mild N#Cc1c(I)cccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894875 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)F)c(C(F)(F)F)c1 ZINC000587894888 JI Annotated Unstable N#Cc1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(I)c1 ZINC000587894898 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000587894903 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(Br)c1 ZINC000587894920 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C=C(S(=O)(=O)Cl)CO2 ZINC000587894940 JI Annotated Unstable O=Cc1cc(I)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894962 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])cc1I ZINC000587894987 JI Annotated Mild CCOc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1I ZINC000587895021 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1S(=O)(=O)Cl ZINC000587895025 JI Annotated Unstable NC(=S)Nc1cc(Br)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895048 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)F ZINC000587895051 JI Annotated Unstable COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(I)c1 ZINC000587895061 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)ccc1C(=O)O ZINC000587895192 JI Annotated Mild O=Cc1sc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587895196 JI Annotated Mild NC(=S)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587895238 JI Annotated Mild COc1cc(I)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895253 JI Annotated Mild N#Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1I ZINC000587895269 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1S(=O)(=O)NCc1ccccc1 ZINC000587895324 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1 ZINC000587895359 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(S(=O)(=O)c2ccccc2)c2cnccc12 ZINC000587895378 JI Annotated Mild N#CSc1ccc(NC(=O)CCl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895379 JI Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)ccc1I ZINC000587895427 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1Cl ZINC000587895498 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1I ZINC000587895514 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)c2c(c1)CCO2 ZINC000587895617 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccnc2[nH]cc(I)c12 ZINC000587895646 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(I)c1[N+](=O)[O-] ZINC000587895662 JI Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)s1 ZINC000587895777 JI Annotated Mild COc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1CS(C)(=O)=O ZINC000587895794 JI Annotated Mild COc1ccc(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895820 JI Annotated Mild N#CCc1cc(I)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895822 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(S)n(Cc3ccco3)c(=O)c2c1 ZINC000587895899 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)cc1[N+](=O)[O-] ZINC000587895938 JI Annotated Mild COC(=O)c1scc(Br)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895947 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)cc1C(=O)O ZINC000587895980 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000587896063 JI Annotated Mild N#Cc1ccc(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896073 JI Annotated Mild COC(=O)c1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587896144 JI Annotated Mild C=CCn1c(S)nnc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896174 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)sc1S(=O)(=O)Cl ZINC000587896219 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(S(=O)(=O)Cl)c1 ZINC000587896231 JI Annotated Unstable Cc1ccc(S(=O)(=O)Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587896233 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc2sc(S(=O)(=O)O)nc12 ZINC000587896257 JI Annotated Mild COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)cc1S(=O)(=O)Cl ZINC000587896264 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)c2ncccc2c1 ZINC000587896273 JI Annotated Unstable CSCCNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1C(C)C ZINC000587896276 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ncccc2C(=O)O)nc1 ZINC000587896358 JI Annotated Mild CC(C)Cn1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587896361 JI Annotated Mild COC(=O)c1scc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587896417 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)N=C(c1ccccc1)NS2(=O)=O ZINC000587896431 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)NC2CCCCC2)c1 ZINC000587896487 JI Annotated Mild C=CCn1c(S)nnc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896491 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Cl)cccc1S(=O)(=O)Cl ZINC000587896496 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)ccc1Br ZINC000587896525 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Cl)c1S(=O)(=O)Cl ZINC000587896527 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc2cccc(S(=O)(=O)Cl)c12 ZINC000587896560 JI Annotated Unstable O=C(O)CSc1nccn1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896591 JI Annotated Mild CN(C(C)(C)C)S(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896612 JI Annotated Mild Cc1nc(SCC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n[nH]1 ZINC000587896661 JI Annotated Mild CCN(CC)S(=O)(=O)c1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896789 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1S(=O)(=O)Cl ZINC000587896928 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(S(=O)(=O)Cl)c1 ZINC000587896940 JI Annotated Unstable CCCCCNS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896948 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1Br ZINC000587896996 JI Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)Cl)c1Cl ZINC000587897011 JI Annotated Unstable Nc1cccc(S(=O)(=O)Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1 ZINC000587897012 JI Annotated Mild CC(=O)CSc1nnc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1 ZINC000587897018 JI Annotated Mild Cc1ccc(S(=O)(=O)n2cccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897027 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2ccn(S(=O)(=O)c3ccccc3)c2c1 ZINC000587897047 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c([N+](=O)[O-])cc(Cl)cc1S(=O)(=O)Cl ZINC000587897061 JI Annotated Unstable Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000587897098 JI Annotated Mild COC(=O)c1sc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587897127 JI Annotated Mild CCNc1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000587897129 JI Annotated Mild C[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1nnc(S)n1C ZINC000587897138 JI Annotated Mild C[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1nnc(S)n1C ZINC000587897140 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(C(=O)c2ccncc2)c1C(=O)O ZINC000587897142 JI Annotated Mild CC(C)(C)COS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897168 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000587897176 JI Annotated Mild CCCCNS(=O)(=O)c1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897178 JI Annotated Mild COC(=O)c1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1O ZINC000587897270 JI Annotated Mild Nc1cccc(S(=O)(=O)Nc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c1 ZINC000587897314 JI Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)NCc2ccco2)c1 ZINC000587897315 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1 ZINC000587897352 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Cc1nc(C(=O)O)cs1 ZINC000587897420 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Nc1nc(C(=O)O)cs1 ZINC000587897465 JI Annotated Mild COC(=O)c1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587897477 JI Annotated Mild COC(=O)c1sc(N)nc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897521 JI Annotated Mild COC(=O)C1CCN(Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)CC1 ZINC000587897529 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cc2nc(C(=O)O)cs2)cc1 ZINC000587897566 JI Annotated Mild CC(C)(C)OC(=O)Nc1nc(C#N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897586 JI Annotated Mild COC(=O)c1nc(NC(=O)OC(C)(C)C)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897588 JI Annotated Mild CC(C)(C)OC(=O)Nc1nc(C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897637 JI Annotated Mild COC(=O)c1nc(N)sc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897652 JI Annotated Mild COC(=O)[C@@H]1CCCN(Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)C1 ZINC000587897659 JI Annotated Mild COC(=O)[C@H]1CCCN(Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)C1 ZINC000587897660 JI Annotated Mild CCn1c(S)nnc1-c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897666 JI Annotated Mild O=C(O)Cc1csc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000587897685 JI Annotated Mild COC(=O)c1sc(N)nc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897718 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(CN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000587897784 JI Annotated Mild NC(=O)Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccc(N)cc2)s1 ZINC000587897785 JI Annotated Mild CNc1cc(CN(C)Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)ccn1 ZINC000587897836 JI Annotated Mild COC(=O)c1sc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897858 JI Annotated Mild Nc1nc(-c2cc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3oc2=O)cs1 ZINC000587897872 JI Annotated Mild CCOC(=O)c1nc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897898 JI Annotated Mild CCN(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1)C(=O)CCl ZINC000587897917 JI Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)N2CCSC2=S)cc1 ZINC000587897998 JI Annotated Mild CN1C(=O)/C(=C/c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)o2)SC1=S ZINC000587898132 JI Annotated Mild CN1C(=O)/C(=C\c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)o2)SC1=S ZINC000587898135 JI Annotated Mild NNc1ncnc2cc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)sc12 ZINC000587898205 JI Annotated Mild Nc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Br)cc2s1 ZINC000587898271 JI Annotated Mild Cc1ncsc1-c1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2[nH]1 ZINC000587898274 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c2nsnc12 ZINC000587898292 JI Annotated Mild Nc1nc2cc(Br)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1 ZINC000587898342 JI Annotated Mild Nc1nnc(-c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2Cl)s1 ZINC000587898395 JI Annotated Mild Nc1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Br)cc2s1 ZINC000587898621 JI Annotated Mild Nc1nc2c(Br)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1 ZINC000587898701 JI Annotated Mild CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(/C=C2\SC(=N)NC2=O)c1 ZINC000587898713 JI Annotated Mild CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(/C=C2/SC(=N)NC2=O)c1 ZINC000587898717 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1/C=C1/SC(=S)NC1=O ZINC000587898857 JI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1/C=C1\SC(=S)NC1=O ZINC000587898868 JI Annotated Mild Nc1nnc(SCc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)s1 ZINC000587898920 JI Annotated Mild N#CC(C#N)=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nsnc12 ZINC000587899019 JI Annotated Reactive NNC(=O)c1sc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1Cl ZINC000587899191 JI Annotated Reactive COc1cc(C#Cc2cc(Cl)ccc2OC)c(CN(C=O)CCc2ccc(O)cc2)cc1O ZINC000587900826 JI Annotated Mild C=CC[C@@H]1N(c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 ZINC000587908355 JI Annotated Mild C=CC[C@@H]1N(c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 ZINC000587908356 JI Annotated Mild C=CC[C@@H]1N(c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 ZINC000587908360 JI Annotated Mild C=CC[C@@H]1N(c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 ZINC000587908363 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1cncc([N+](=O)[O-])c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587908499 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000587909562 JI Annotated Mild CCOC(=O)[C@@H]1C(=O)c2cc(C#Cc3cc(Cl)ccc3OC)cnc2N(Cc2ccccc2)C1=O ZINC000587910102 JI Annotated Mild CCOC(=O)[C@H]1C(=O)c2cc(C#Cc3cc(Cl)ccc3OC)cnc2N(Cc2ccccc2)C1=O ZINC000587910103 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000587916860 JI Annotated Mild CCOC(=O)c1cc(I)c(N)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587917471 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)c(O)cc1I ZINC000587917489 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(I)cc(N2CCCC2)nc1F ZINC000587917771 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)c(I)cc1O ZINC000587918074 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000587918182 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(S(=O)(=O)Cl)cc(Cl)c(OC)c1[N+](=O)[O-] ZINC000587918380 JI Annotated Unstable COc1ccc(Cl)cc1C#Cc1ccsc1CNC(=O)c1cc(Br)cnc1N ZINC000587918747 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N)c(C(=O)NCc2sccc2Br)c1 ZINC000587918797 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccccc2)cc1 ZINC000587918882 JI Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc2c(Cl)ncnc2n1S(=O)(=O)c1ccccc1 ZINC000587919394 JI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc2c1cc(C=O)n2S(=O)(=O)c1ccccc1 ZINC000587919681 JI Annotated Mild CCN1C(=O)/C(=C2/C(=O)Nc3ccc(C#Cc4cc(Cl)ccc4OC)cc32)SC1=S ZINC000587920987 JI Annotated Mild CCN(c1ccc(-c2csc(-c3c(N4CCCC4)nnc(C)c3C)n2)cc1)S(C)(=O)=O ZINC000587922954 JI Annotated Anodyne CCN(c1ccc(-c2csc(CCn3nc(C(F)(F)F)cc3C)n2)cc1)S(C)(=O)=O ZINC000587923045 JI Annotated Anodyne CCN(c1ccc(-c2csc(CCn3nc(C)cc3C(F)(F)F)n2)cc1)S(C)(=O)=O ZINC000587923504 JI Annotated Anodyne CCN(c1ccc(-c2csc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1)S(C)(=O)=O ZINC000587923528 JI Annotated Anodyne CCN(c1ccc(-c2csc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1)S(C)(=O)=O ZINC000587923529 JI Annotated Anodyne CCN(c1ccc(-c2csc([C@@H](C)CN(C)C(=O)c3ccccc3)n2)cc1)S(C)(=O)=O ZINC000587923597 JI Annotated Anodyne CCN(c1ccc(-c2csc([C@H](C)CN(C)C(=O)c3ccccc3)n2)cc1)S(C)(=O)=O ZINC000587923598 JI Annotated Anodyne CN(c1ccc(-c2csc(-c3cccc(I)c3)n2)cc1)S(C)(=O)=O ZINC000587923649 JI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3I)n2)cc1 ZINC000587923690 JI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(I)cc3)n2)cc1 ZINC000587923731 JI Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(I)cc3)n2)cc1)S(C)(=O)=O ZINC000587923807 JI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3cccc(I)c3)n2)cc1 ZINC000587923969 JI Annotated Anodyne CN(c1ccc(-c2csc(-c3ccccc3I)n2)cc1)S(C)(=O)=O ZINC000587923979 JI Annotated Anodyne CN(c1ccc(-c2csc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1)S(C)(=O)=O ZINC000587923996 JI Annotated Anodyne CN(c1ccc(-c2csc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1)S(C)(=O)=O ZINC000587923997 JI Annotated Anodyne COc1ccc(CCCc2nc3c(I)cnc(Cl)c3[nH]2)cc1OC ZINC000587924685 JI Annotated Anodyne COc1cc(C)ccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587926407 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c(OC)ccc(OC)c4OC)[nH]c3c2)cc1 ZINC000587927061 JI Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c(O)c2)cc1OC ZINC000587928117 JI Annotated Anodyne COc1ccc(CCCc2nc3c(I)cnc(Cl)c3[nH]2)c(OC)c1 ZINC000587928315 JI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c2C)c(OC)c1 ZINC000587928931 JI Annotated Anodyne COc1cccc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587930042 JI Annotated Anodyne COc1cccc(CCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587930488 JI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2C)c(OC)c1 ZINC000587931138 JI Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(O)nc(N)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933375 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OCC ZINC000587934062 JI Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1OC ZINC000587934214 JI Annotated Mild COC(=O)c1cc(OC)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1OC ZINC000587934613 JI Annotated Mild C=C(C(=O)O)c1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587935015 JI Annotated Mild COc1c(Cc2ccccc2)cc(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935279 JI Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccc(N4CCN(C)CC4)c(Br)c3)c2O)cc1 ZINC000587935380 JI Annotated Anodyne CCCCc1ccc(-n2c(O)cc([C@H](CC(=O)O)C(=O)OC)c2OC)c(Br)c1 ZINC000587936620 JI Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OCC ZINC000587936833 JI Annotated Anodyne CCCCc1ccc(-n2c(OC)cc(C(C(=O)OC)C(=O)OC)c2OC)c(Br)c1 ZINC000587937020 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)[C@H](O)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587937169 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)[C@@H](O)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587937170 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)[C@@H](O)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587937171 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)[C@H](O)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587937172 JI Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937393 JI Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937400 JI Annotated Bother CCCCc1ccc(-n2c(OC)c(CC(=O)OC)c(C(=O)OC)c2OC)c(Br)c1 ZINC000587937503 JI Annotated Anodyne CN1CCN(c2ccc(-n3c(O)ccc3OCCc3ccccc3)cc2Br)CC1 ZINC000587937515 JI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587937835 JI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587937836 JI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587937837 JI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587937838 JI Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OC)cc(CC(=O)OC)c1OC ZINC000587937934 JI Annotated Anodyne O=C(O)c1cc(-n2c(O)cc(-c3ccccc3Br)c2O)c(Br)cn1 ZINC000587938926 JI Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1 ZINC000587938998 JI Annotated Bother Cc1ccc(-c2ccc(CCC(=O)O)n2-c2nn(-c3ncccn3)cc2Br)s1 ZINC000587939021 JI Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cc(C(=O)O)ncc3Br)c2O)cc1Br ZINC000587939135 JI Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cc(Br)cnc2Br)c1OCC ZINC000587939151 JI Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587939463 JI Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(NCc2ccccc2Br)c1OCC ZINC000587939490 JI Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OC ZINC000587939558 JI Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1OCC ZINC000587939680 JI Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(NCc2ccccc2Br)c1OCC ZINC000587940319 JI Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1c[nH]cc(Br)c1=O ZINC000587940636 JI Annotated Anodyne O=C(O)c1cc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)c(Br)cn1 ZINC000587940952 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(NCc2ccccc2Br)c1OCC ZINC000587941248 JI Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941315 JI Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OC ZINC000587941668 JI Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941945 JI Annotated Anodyne O=C(O)c1cc(-n2c(O)cc(-c3cccc(Br)c3)c2O)c(Br)cn1 ZINC000587942133 JI Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587942134 JI Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OC ZINC000587942320 JI Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cnc(C)c(Br)n3)c2O)cc1Br ZINC000587942444 JI Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OC ZINC000587943002 JI Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OC ZINC000587943068 JI Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OC ZINC000587943127 JI Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OC ZINC000587943171 JI Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OC ZINC000587943204 JI Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943499 JI Annotated Bother C=C(C)C(=O)OCCOc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943670 JI Annotated Mild CCOC(=O)C(C(=O)OCC)c1cc(OCC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OCC ZINC000587944360 JI Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OCC ZINC000587944365 JI Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944472 JI Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944473 JI Annotated Bother COc1cccc(-c2cc(O)n(-c3nc(S)ncc3C(=O)Nc3cccc(F)c3)c2O)c1 ZINC000587944604 JI Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2nn(COc3ccccc3F)cc2Cl)c1OCC ZINC000587944643 JI Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944835 JI Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OCC ZINC000587945228 JI Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OCC ZINC000587945234 JI Annotated Anodyne COc1ccc(-c2cc(O)n(-c3nc(N4CCCCC4)ncc3F)c2O)cc1Br ZINC000587945337 JI Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(C)n(Cc3ccccc3F)n2)c1OCC ZINC000587945399 JI Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OCC ZINC000587945490 JI Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945738 JI Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OCC ZINC000587945830 JI Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OCC ZINC000587945832 JI Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OC ZINC000587945902 JI Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OCC ZINC000587945985 JI Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OC ZINC000587946318 JI Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OC ZINC000587946319 JI Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OC ZINC000587946415 JI Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)ccc1OCCc1ccccc1 ZINC000587946455 JI Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946548 JI Annotated Bother CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OCC ZINC000587946815 JI Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587949034 JI Annotated Anodyne O=C(c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587949233 JI Annotated Anodyne O=C(c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587949234 JI Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587949374 JI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(I)cnc(Cl)c4[nH]1)(C3)C2 ZINC000587949788 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 ZINC000587951574 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 ZINC000587951577 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4CCC(OC[C@H](C)OC)CC4)[nH]c3c2)cc1 ZINC000587952485 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4CCC(OC[C@@H](C)OC)CC4)[nH]c3c2)cc1 ZINC000587952486 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000587952675 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(O)cc3[nH]2)cc1 ZINC000587952826 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000587952828 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(C(=O)CCc3ccccc3)[nH]c12 ZINC000587952869 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000587952922 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(C#N)c3[nH]2)cc1 ZINC000587953131 JI Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cncc(C)c3[nH]2)cc1 ZINC000587953140 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(O)c3[nH]2)cc1 ZINC000587953154 JI Annotated Anodyne CC#Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587953164 JI Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(C)nccc3[nH]2)cc1 ZINC000587953262 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000587953532 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(C)ccnc3[nH]2)cc1 ZINC000587953540 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000587953568 JI Annotated Anodyne COc1ccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2c1 ZINC000587953591 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000587953643 JI Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000587953716 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000587953743 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C)cnc3[nH]2)cc1 ZINC000587953767 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000587953926 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000587953944 JI Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(C)nc3[nH]2)cc1 ZINC000587953967 JI Annotated Anodyne COc1cccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c12 ZINC000587953987 JI Annotated Anodyne C=CCC(C)(C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587954210 JI Annotated Mild CC(C)(CC(=O)O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587955522 JI Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587959590 JI Annotated Anodyne C[C@H](CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)CC(=O)O ZINC000587963045 JI Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587963195 JI Annotated Anodyne CCCC/C=C/c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587965255 JI Annotated Anodyne CCCC/C=C\c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587965262 JI Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)nc1-2 ZINC000587966068 JI Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3c2)cc1 ZINC000587968406 JI Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 ZINC000587968978 JI Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4CC=CC[C@H]4C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587969912 JI Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587970967 JI Annotated Reactive O=C(O)[C@H]1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970968 JI Annotated Reactive O=C(O)[C@H]1C(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970969 JI Annotated Reactive CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000059050239 JI Annotated Anodyne CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059050241 JI Annotated Anodyne COc1cc2nncc(-c3cnc(N4CCC(O)(c5ccccn5)CC4)c(Cl)c3)c2cc1OC ZINC000059050327 JI Annotated Anodyne C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(O)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)[C@H](OC(=O)CCCCCCC)C[C@H]1O ZINC000059103364 JI Annotated Mild O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1Cl)N1CCCC1 ZINC000059112839 JI Annotated Anodyne Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1ccccc1F ZINC000059149528 JI Annotated Mild Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F ZINC000059149933 JI Annotated Mild O=C1C[C@H]2CC(=O)c3c(O)cccc3[C@@]23C(=C2C=CC(=O)c4c(O)ccc3c42)c2cc(O)cc(O)c21 ZINC000059182975 JI Annotated Mild O=C1C[C@@H]2CC(=O)c3c(O)cccc3[C@]23C(=C2C=CC(=O)c4c(O)ccc3c42)c2cc(O)cc(O)c21 ZINC000059182976 JI Annotated Mild Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccc(Br)cc4)no3)CC2)c1 ZINC000059201544 JI Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]2O ZINC000059264893 JI Annotated Anodyne CN(C)C12C[C@H](OC(=O)CCN3CCC(O)CC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000059275643 JI Annotated Anodyne CN(C)C12C[C@H](OC(=O)CN3CCC(O)CC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000059298412 JI Annotated Anodyne COC(=O)[C@H]1C(=O)[C@H]2C(=NC(C)=C(C(=O)OCc3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)C[C@@H]1C ZINC000059574500 JI Annotated Anodyne COC(=O)[C@H]1C(=O)[C@@H]2C(=NC(C)=C(C(=O)OCc3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)C[C@@H]1C ZINC000059574502 JI Annotated Anodyne COc1cc([C@@H]2COc3ccc4c(c3[C@H]2O)CCc2c(OC)cc(O)cc2-4)cc(OC)c1O ZINC000059586112 JI Annotated Anodyne in-vitro biogenic O=C(NCCCCc1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000059785499 JI Annotated Bother O=C(NCCCCc1ccccc1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000059785500 JI Annotated Bother O=C(N[C@@H]1CCc2ccccc21)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000059785778 JI Annotated Bother O=C(N[C@@H]1CCc2ccccc21)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000059785779 JI Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2Cc2ccccc2)cc1 ZINC000059796547 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2Cc2ccccc2)cc1 ZINC000059796548 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2Cc2ccccc2)cc1 ZINC000059796549 JI Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2Cc2ccccc2)cc1 ZINC000059796550 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](C(=O)c2ccccc2)N2N=C(c3ccc(Br)cc3)C=C[C@H]12 ZINC000006001743 JI Annotated Anodyne CC1(C)O[C@@H](C[C@H]2C[C@@H](O)C[C@@H](CCOCc3ccccc3)O2)C[C@H](CBr)O1 ZINC000006003718 JI Annotated Reactive N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)/N=C(\NN)Nc2ccc(Cl)cc2)cc1 ZINC000006010074 JI Annotated Mild C/C(NC(=O)c1ccccc1)=C(/C(=O)c1ccccc1)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1 ZINC000006019721 JI Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c2O)c(C)c1 ZINC000006034766 JI Annotated Mild COc1cc(Br)c(C[C@H]2C3=C(CCN2C(=O)C2CCC2)CC2(CC3)OCCO2)cc1O ZINC000006040605 JI Annotated Anodyne O=C(c1cccnc1)N1N=C(c2ccc3c(c2)OCO3)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000006040663 JI Annotated Anodyne CCOC(=O)[C@H]1C[C@]23CN(C(=O)OC(C)(C)C)CC[C@H]2CCC2(SCCCS2)[C@@H]3N1C ZINC000006040861 JI Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1O ZINC000006041123 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NNC(=O)c2cc(C)ccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006041391 JI Annotated Reactive COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2cccc(C(=O)O)c2OC)cc1 ZINC000006041466 JI Annotated Anodyne COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2cccc(C(=O)O)c2OC)cc1 ZINC000006041467 JI Annotated Anodyne COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2cccc(C(=O)O)c2OC)cc1 ZINC000006041468 JI Annotated Anodyne COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2cccc(C(=O)O)c2OC)cc1 ZINC000006041469 JI Annotated Anodyne CC(=O)O[C@@H]1[C@@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@@H](O)[C@H]1O ZINC000006041799 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)OC[C@@H](O)[C@H]1O ZINC000006041800 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000006144292 JI Annotated Reactive CN(C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O)C1CCCCC1 ZINC000006181232 JI Annotated Anodyne Cc1cccc(C)c1-n1c(=O)/c(=C/c2ccncc2)s/c1=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12 ZINC000006188674 JI Annotated Mild Cc1cccc(C)c1-n1c(=O)/c(=C\c2ccncc2)s/c1=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12 ZINC000006188677 JI Annotated Mild CCN(CC)CCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000006193167 JI Annotated Anodyne CCCC/N=C(\O)CSc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000006245425 JI Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)N1C=C(S(=O)(=O)N3CCCCC3)C=CC1=N2 ZINC000006497082 JI Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)N1C=C(S(=O)(=O)N3CCCCC3)C=CC1=N2 ZINC000006497083 JI Annotated Anodyne COc1cc(-c2nc3n(n2)[C@H](c2cccc(OC)c2OC)[C@H]2C(=O)CCCC2=N3)cc(OC)c1OC ZINC000006498174 JI Annotated Anodyne COc1cc(-c2nc3n(n2)[C@@H](c2cccc(OC)c2OC)[C@@H]2C(=O)CCCC2=N3)cc(OC)c1OC ZINC000006498175 JI Annotated Anodyne COc1ccc(S(=O)(=O)n2c3c(c4cc(Br)ccc42)C[C@H](N(C)C)CC3)cc1 ZINC000060325707 JI Annotated Anodyne COc1ccc(S(=O)(=O)n2c3c(c4cc(Br)ccc42)C[C@@H](N(C)C)CC3)cc1 ZINC000060325708 JI Annotated Anodyne COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Br)cc2)CC[C@@H](N(C)C)C1 ZINC000060325917 JI Annotated Anodyne COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Br)cc2)CC[C@H](N(C)C)C1 ZINC000060325918 JI Annotated Anodyne CCc1nc2c(OC[C@@H]3COc4ccccc4O3)cccn2c1N(C)C(=O)c1cccc(OC)c1 ZINC000061895385 JI Annotated Anodyne CCc1nc2c(OC[C@H]3COc4ccccc4O3)cccn2c1N(C)C(=O)c1cccc(OC)c1 ZINC000061895388 JI Annotated Anodyne CC(=O)Nc1cc(-c2cccc(C(=O)N(C)C)c2)cn2c(-c3cccc(C(=O)N(C)C)c3)cnc12 ZINC000061895721 JI Annotated Anodyne CCc1nc2c(OCc3ccc(C(=O)N(C)C)cc3)cccn2c1N(C=O)Cc1ccccc1 ZINC000061895740 JI Annotated Anodyne Cc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C)CC1CCCCC1 ZINC000061895883 JI Annotated Anodyne COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(NS(C)(=O)=O)c4)cn23)cc1OC ZINC000061896248 JI Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061896321 JI Annotated Anodyne CC(=O)Oc1ccccc1Cn1c(C)c(C(=O)NCc2ccccc2C(F)(F)F)sc1=O ZINC000061896667 JI Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061896778 JI Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061896780 JI Annotated Anodyne COc1ccc(CNC(=O)c2ccc3nc(C)c(N(C)Cc4ccc(NC(C)=O)cc4)n3c2)cc1 ZINC000061897034 JI Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2c1N(C)C(=O)Cc1ccccc1 ZINC000061897324 JI Annotated Anodyne Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000061898218 JI Annotated Anodyne Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000061898220 JI Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)nc1C(F)(F)F ZINC000061898284 JI Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)nc1C(F)(F)F ZINC000061898285 JI Annotated Anodyne COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4ccc(S(C)(=O)=O)cc4)cn23)cc1OC ZINC000061902547 JI Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1 ZINC000061902834 JI Annotated Anodyne COc1ccc(CCCNC(=O)[C@]2(C)Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 ZINC000061903406 JI Annotated Anodyne COc1ccc(CCCNC(=O)[C@@]2(C)Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 ZINC000061903407 JI Annotated Anodyne CC(=O)Oc1ccc(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)cc1 ZINC000061903681 JI Annotated Anodyne COc1ccc(OCCNC(=O)c2ccc3nc(C)c(N(C)C(=O)CCc4ccccc4)n3c2)cc1 ZINC000061903976 JI Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1 ZINC000061904087 JI Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1 ZINC000061904088 JI Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061904227 JI Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061904228 JI Annotated Anodyne CN(C)CCNC(=O)c1cccc(-c2cnc3c(NC=O)cc(/C=C/c4ccccc4)cn23)c1 ZINC000061905296 JI Annotated Anodyne CCc1nc2c(OCc3ccc(S(C)(=O)=O)cc3)cccn2c1N(C)C(=O)c1ccccc1F ZINC000061905516 JI Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061905649 JI Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061905650 JI Annotated Anodyne COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)cc1OC ZINC000061906082 JI Annotated Anodyne COc1cc(Cn2c3ccc(NC(=S)NCc4ccc(C)cc4)cc3c(=O)n2C)ccc1F ZINC000061906297 JI Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)nc1 ZINC000061906386 JI Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)[C@@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)nc1 ZINC000061906387 JI Annotated Mild CC(=O)Nc1cc(-c2cccc(C(=O)NCCN(C)C)c2)cn2c(-c3ccc(C(C)=O)cc3)cnc12 ZINC000061906566 JI Annotated Anodyne Cc1ccc(C)c(CC(=O)N2CCC[C@H](c3cc(C(=O)Nc4ccc5c(c4)OCO5)no3)C2)c1 ZINC000061906599 JI Annotated Anodyne Cc1ccc(C)c(CC(=O)N2CCC[C@@H](c3cc(C(=O)Nc4ccc5c(c4)OCO5)no3)C2)c1 ZINC000061906600 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061906601 JI Annotated Anodyne CCc1nc2c(OC[C@@H]3COc4ccccc4O3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061907078 JI Annotated Anodyne CCc1nc2c(OC[C@H]3COc4ccccc4O3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061907079 JI Annotated Anodyne CCc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)C(=O)COc1ccccc1 ZINC000061907152 JI Annotated Anodyne COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3F)on2)c(C)c1 ZINC000061907341 JI Annotated Anodyne COc1ccc(NC(=O)c2cc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3F)on2)c(C)c1 ZINC000061907342 JI Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061907556 JI Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061907557 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)C(=O)C1CCCCC1 ZINC000061908731 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061908843 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NCC2CCCCC2)C1 ZINC000061921009 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NCC2CCCCC2)C1 ZINC000061921010 JI Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3nccs3)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000061921150 JI Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3ccncc3)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000061921162 JI Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3cccs3)[C@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000061921175 JI Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(CC4CCCCC4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000061921222 JI Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000061921224 JI Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccccc1)N[C@]21CCCN(CC2CCCCC2)C1=O ZINC000061921249 JI Annotated Anodyne Cc1ccc(CN2CCC[C@]3(N[C@H](c4ccccc4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000061921254 JI Annotated Anodyne COc1ccc2nc3n(c(=O)c2c1)-c1cc2ccccc2cc1C(=O)N[C@H]3Cc1ccc(O)cc1 ZINC000061921327 JI Annotated Anodyne COc1ccc2nc3n(c(=O)c2c1)-c1cc2ccccc2cc1C(=O)N[C@@H]3Cc1ccc(O)cc1 ZINC000061921328 JI Annotated Anodyne O=C1N[C@H](Cc2ccc(O)cc2)c2nc3cc(F)ccc3c(=O)n2-c2cc3ccccc3cc21 ZINC000061921333 JI Annotated Anodyne O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3cc(F)ccc3c(=O)n2-c2cc3ccccc3cc21 ZINC000061921334 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NCC2CCCCC2)C1 ZINC000061921508 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NCC2CCCCC2)C1 ZINC000061921509 JI Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCC3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921639 JI Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CCCC3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921641 JI Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccco3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921653 JI Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccco3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921655 JI Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccccc1 ZINC000061921685 JI Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccccc1 ZINC000061921686 JI Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000061921691 JI Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000061921693 JI Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061922023 JI Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061922025 JI Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923047 JI Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923060 JI Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccccc1 ZINC000061923071 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923110 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccccc1 ZINC000061923120 JI Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000061923145 JI Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923168 JI Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccccc3)N(C(=O)C3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923176 JI Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccccc1 ZINC000061923179 JI Annotated Anodyne CCc1cc(-c2nnn(CC[C@@H]3COCCO3)c2CC)ccc1-c1cn(Cc2ccccc2)nn1 ZINC000061923333 JI Annotated Anodyne CCc1cc(-c2nnn(CC[C@H]3COCCO3)c2CC)ccc1-c1cn(Cc2ccccc2)nn1 ZINC000061923335 JI Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(C)C)=C1C ZINC000061923414 JI Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(C)C)=C1C ZINC000061923415 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923430 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923431 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NCc2ccco2)C1 ZINC000061923432 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NCc2ccco2)C1 ZINC000061923433 JI Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccccc1 ZINC000061923454 JI Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccccc1 ZINC000061923455 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NCC2CCCCC2)C1 ZINC000061923489 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NCC2CCCCC2)C1 ZINC000061923490 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NCc2cccs2)C1 ZINC000061923512 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NCc2cccs2)C1 ZINC000061923513 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NC2CCCCC2)C1 ZINC000061923517 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NC2CCCCC2)C1 ZINC000061923519 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NC2CC2)C1 ZINC000061923552 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NC2CC2)C1 ZINC000061923553 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NC2CCCCC2)C1 ZINC000061923567 JI Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NC2CCCCC2)C1 ZINC000061923568 JI Annotated Anodyne COc1ccc(N2C[C@H](CSC)[C@@H](CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000061923602 JI Annotated Anodyne CSC[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000061923603 JI Annotated Anodyne COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Br)cc3)C[C@@H]2CSC)cc1 ZINC000061923618 JI Annotated Anodyne COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000061923880 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923904 JI Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923912 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 ZINC000061923916 JI Annotated Anodyne Cc1ccccc1Oc1ccc2c(c1)[C@@H]1C[C@H](N(C)C(=O)c3cccnc3)[C@H]([C@H](C)O)C(=O)N1CC2 ZINC000061923984 JI Annotated Anodyne Cc1ccccc1Oc1ccc2c(c1)[C@@H]1C[C@H](N(C)C(=O)c3ccco3)[C@H]([C@H](C)O)C(=O)N1CC2 ZINC000061923985 JI Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000061924444 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061925621 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1cccs1 ZINC000061925910 JI Annotated Anodyne COc1ccc(Br)c(Cn2c(C)c(C(=O)N(C)Cc3ccc(F)cc3)sc2=O)c1 ZINC000061925990 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061926037 JI Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 ZINC000061926282 JI Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 ZINC000061926283 JI Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cn2c1N(C)C(=O)C1CCCCC1 ZINC000061926481 JI Annotated Anodyne COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(NS(C)(=O)=O)c4)cn23)c1 ZINC000061926593 JI Annotated Anodyne COc1cc(-c2cnc3c(NC=O)cc(-c4cccc(NC(C)=O)c4)cn23)cc(OC)c1OC ZINC000061926661 JI Annotated Anodyne Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)sc(=O)n1Cc1ccc(C(=O)N(C)C)cc1 ZINC000061926861 JI Annotated Anodyne COc1ccc(F)cc1-c1cc(NC=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)n2c1 ZINC000061927242 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061927381 JI Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)c(OC)c1 ZINC000061927715 JI Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000061928303 JI Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000061928304 JI Annotated Anodyne Cc1nc2c(OCCN3C(=O)c4ccccc4C3=O)cccn2c1N(C)C(=O)CCC1CCCC1 ZINC000061928380 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(C)C(=O)Cc1ccccc1 ZINC000061929496 JI Annotated Anodyne COc1ccc(Br)c(Cn2c(C)c(C(=O)NCc3cccs3)sc2=O)c1 ZINC000061929742 JI Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2cccc3c2CCCC3)no1 ZINC000061929791 JI Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2cccc3c2CCCC3)no1 ZINC000061929793 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(C)C(=O)Cc1ccccc1 ZINC000061930062 JI Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000061930203 JI Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000061930205 JI Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(CCC(C)C)CCN(C)C ZINC000061930395 JI Annotated Anodyne CC(=O)Nc1cc(-c2cccc(NS(C)(=O)=O)c2)cn2c(-c3cccc(C(C)=O)c3)cnc12 ZINC000061930569 JI Annotated Anodyne O=C(Cn1cc(COc2c(Br)cc(F)cc2Br)nn1)c1ccc(O)cc1 ZINC000061931029 JI Annotated Anodyne C#CCN(C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1F ZINC000061931060 JI Annotated Mild O=S1(=O)c2c(F)cccc2O[C@@H](COCc2ccccc2)CN1CCc1ccc(F)cc1 ZINC000061931186 JI Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000061931257 JI Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000061931259 JI Annotated Anodyne Cc1ccc2c(c1)[C@@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(Cc3ccccc3)CC(=O)N12 ZINC000061931354 JI Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@@H]2N2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061931362 JI Annotated Anodyne O=C(NCCO)c1cccc(-c2cnc3c(Nc4cccc(OC(F)(F)C(F)F)c4)nccn23)c1 ZINC000061931508 JI Annotated Anodyne Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N2CCOCC2)nn1Cc1ccccc1 ZINC000061931511 JI Annotated Anodyne Cc1cc(C)c(CN2CCN(CCCn3cnc(C(=O)Nc4ccc(C)c(C)c4)n3)CC2)c(C)c1 ZINC000061936033 JI Annotated Anodyne C#CCN1C=CC(=O)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H]1c1ccccc1Br ZINC000061936367 JI Annotated Mild COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H](N(C)C(=O)C(C)(C)C)[C@H]([C@H](C)O)C(=O)N2CC3)cc1 ZINC000061942293 JI Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(-c4ccccc4)cc3[C@@H]2C[C@@H]1N(C)C(=O)c1ccc(C#N)cc1 ZINC000061942296 JI Annotated Mild C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(-c4cccc(F)c4)cc3[C@@H]2C[C@@H]1N(C)C(=O)C(C)(C)C ZINC000061942569 JI Annotated Anodyne COc1ccc(-c2n[nH]c3nc(N4CCN(C(=O)c5ccoc5)CC4)cc(C(F)(F)F)c23)cc1 ZINC000061943386 JI Annotated Anodyne Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3ccc(Br)cc3)cc2n1 ZINC000061944480 JI Annotated Anodyne Cc1nc2cc(-c3ccc(Br)cc3)nn2c(N2CCN(C(=O)c3ccoc3)CC2)c1C ZINC000061944486 JI Annotated Anodyne O=S(=O)(c1ccccc1Br)N(Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000061944825 JI Annotated Anodyne O=S(=O)(c1ccccc1Br)N(Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000061944830 JI Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C)C(C)C ZINC000061946966 JI Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C)C(C)C ZINC000061946967 JI Annotated Anodyne COc1ccc([C@H]2C(C(=O)O)=C[C@@H](C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000061947042 JI Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3ccccc23)no1 ZINC000061947083 JI Annotated Anodyne CCCCN1C(=N)N([C@@H](CCC)CN2CCC[C@H]2CN2C(N)=NC[C@H]2C(C)C)C[C@H]1[C@H](C)CC ZINC000061947354 JI Annotated Anodyne COc1ccc2c(-c3cnc(N4CCOCC4)nc3)c(-c3ccc(S(C)(=O)=O)cc3)sc2c1 ZINC000061948045 JI Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(Cc3ccc(C)cc3)CC(=O)N12 ZINC000061948809 JI Annotated Anodyne O=C(NCCOc1ccccc1Cl)c1ccc2c(c1)S(=O)(=O)c1cc(Cl)ccc1C2=O ZINC000061948838 JI Annotated Anodyne C[C@@]12C(=O)N(Cc3ccco3)CC(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061949392 JI Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(Cc3ccccc3)CC(=O)N12 ZINC000061949406 JI Annotated Anodyne COc1ccc(CN2CC(=O)N3[C@H]4c5cc(C)ccc5OC[C@@H]4[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000061949407 JI Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(Cc3ccccc3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061949412 JI Annotated Anodyne CCCC(=O)O[C@@H]1CC[C@]2(C)C=CC([C@@H](C)C(=O)OC)=C(O2)[C@@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@@H]1O[C@@]12C ZINC000061949645 JI Annotated Anodyne CCCC(=O)O[C@@H]1CC[C@@]2(C)C=CC([C@@H](C)C(=O)OC)=C(O2)[C@@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@@H]1O[C@@]12C ZINC000061949648 JI Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4Br)no3)CC2)c1 ZINC000061958740 JI Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958802 JI Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@H]1c1ccc(F)c(Cl)c1 ZINC000061958804 JI Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958815 JI Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958817 JI Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958823 JI Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1c1ccc2ccccc2c1 ZINC000061958926 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3C[N+](S(=O)(=O)c4ccc(C)cc4)=C[C-](C)[C@H]32)cc1 ZINC000061959000 JI Annotated Anodyne O=C(NCc1ccco1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000061959392 JI Annotated Bother O=C(NCc1ccco1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000061959393 JI Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2ccco2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000061959439 JI Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2ccco2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000061959440 JI Annotated Bother CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@]12C ZINC000061959554 JI Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000061959570 JI Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000061959571 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@@]12C ZINC000061959588 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3cccc(C)c3)C(=O)[C@]12C ZINC000061959594 JI Annotated Anodyne CCCCCCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000061959596 JI Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000061959687 JI Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)cc1)N[C@@]2(CC(C)C)C(=O)OC ZINC000061959697 JI Annotated Anodyne CC(C)C[C@H]1Nc2ncnc(N3CCN(c4ccccn4)CC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000061959713 JI Annotated Anodyne CC(C)C[C@@H]1Nc2ncnc(N3CCN(c4ccccn4)CC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000061959715 JI Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000061959750 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@@]12C ZINC000061959813 JI Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4cccc(Br)c4)no3)CC2)c1 ZINC000061959850 JI Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000061968952 JI Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000061968955 JI Annotated Anodyne COc1ccc(N([C@H](C)C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)S(C)(=O)=O)cc1 ZINC000617960048 JI Annotated Clean COc1ccc(N([C@@H](C)C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)S(C)(=O)=O)cc1 ZINC000617960049 JI Annotated Clean O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N=Nc1c(O)[nH]c2ccccc12 ZINC000617960075 JI Annotated Clean COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC2CCCCC2)c1 ZINC000618005113 JI Annotated Anodyne COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC2CCCCC2)c1 ZINC000618005120 JI Annotated Anodyne CCOc1ccc(C(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(Cl)cc32)cc1Cl ZINC000618006361 JI Annotated Anodyne CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1 ZINC000618007421 JI Annotated Anodyne CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1 ZINC000618007422 JI Annotated Anodyne CC(C)CCSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000618007423 JI Annotated Anodyne CC(C)CCSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000618007424 JI Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1 ZINC000618009342 JI Annotated Mild CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc([N+](=O)[O-])cc5[nH]4)c3)CC2)CC1 ZINC000618009392 JI Annotated Bother CC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 ZINC000618009405 JI Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(N)cc5[nH]4)c3)CC2)CC1 ZINC000618009414 JI Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc([N+](=O)[O-])ccc5[nH]4)c3)CC2)CC1 ZINC000618009435 JI Annotated Bother CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(C#N)cc5[nH]4)c3)CC2)CC1 ZINC000618009575 JI Annotated Mild c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCN(CC4CC4)CC3)CC2)c1 ZINC000618009594 JI Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5n4C)c3)CC2)CC1 ZINC000618010001 JI Annotated Anodyne CC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010042 JI Annotated Anodyne O=C1NC2(CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)C(=O)N1Cc1ccccn1 ZINC000618010066 JI Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(O)ccc5[nH]4)c3)CC2)CC1 ZINC000618010328 JI Annotated Anodyne CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1 ZINC000618011652 JI Annotated Mild CC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1 ZINC000618011776 JI Annotated Mild CN(C)CCSSCCn1cc(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2)nn1 ZINC000618012269 JI Annotated Reactive CCOc1ccc([C@@H]2CS[C@@H]3C(=O)N[C@H](N4CCC(Cc5ccccc5)CC4)N[C@H]32)cc1OCC ZINC000618016354 JI Annotated Anodyne CCOc1ccc([C@@H]2CS[C@@H]3C(=O)N[C@@H](N4CCC(Cc5ccccc5)CC4)N[C@H]32)cc1OCC ZINC000618016355 JI Annotated Anodyne CCOc1ccc([C@@H]2CS[C@@H]3C(=O)N[C@@H](N4CCC(Cc5ccccc5)CC4)N[C@@H]32)cc1OCC ZINC000618016356 JI Annotated Anodyne CCOc1ccc([C@@H]2CS[C@@H]3C(=O)N[C@H](N4CCC(Cc5ccccc5)CC4)N[C@@H]32)cc1OCC ZINC000618016357 JI Annotated Anodyne CCOC(=O)CC1=Nc2ccccc2NC(SCC(=O)N2CCN(c3ccccc3F)CC2)=C1 ZINC000618016575 JI Annotated Anodyne CCCCN1C(=O)N[C@H](O)[C@@H](C2=Nc3ccccc3S[C@@H](c3cc(OC)ccc3OC)C2)C1=O ZINC000618016758 JI Annotated Anodyne CCCCN1C(=O)N[C@H](O)[C@H](C2=Nc3ccccc3S[C@H](c3cc(OC)ccc3OC)C2)C1=O ZINC000618016759 JI Annotated Anodyne CCCCN1C(=O)N[C@H](O)[C@H](C2=Nc3ccccc3S[C@@H](c3cc(OC)ccc3OC)C2)C1=O ZINC000618016761 JI Annotated Anodyne CCCCN1C(=O)N[C@H](O)[C@@H](C2=Nc3ccccc3S[C@H](c3cc(OC)ccc3OC)C2)C1=O ZINC000618016762 JI Annotated Anodyne O=C(c1cccc(OCc2cccc(F)c2)c1)N1CCOC[C@@H](Cc2cccn3nccc23)C1 ZINC000618016765 JI Annotated Anodyne O=C(c1cccc(OCc2cccc(F)c2)c1)N1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000618016768 JI Annotated Anodyne CC(C)CN1C(=O)C2(CCN(C(=O)COc3ccc(F)cc3)CC2)C[C@H]1Cc1cccc(F)c1 ZINC000618016790 JI Annotated Anodyne CC(C)CN1C(=O)C2(CCN(C(=O)COc3ccc(F)cc3)CC2)C[C@@H]1Cc1cccc(F)c1 ZINC000618016794 JI Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc(Cl)c(F)c1 ZINC000618016840 JI Annotated Anodyne Cc1cc(Nc2cccc(C(=O)N3CC[C@]4(CN(Cc5ccccc5)C(=O)O4)C3)c2)nc(C)n1 ZINC000618016857 JI Annotated Anodyne Cc1cc(Nc2cccc(C(=O)N3CC[C@@]4(CN(Cc5ccccc5)C(=O)O4)C3)c2)nc(C)n1 ZINC000618016858 JI Annotated Anodyne C[C@]1(C2CCN(C(=O)c3ccccc3Cn3cccn3)CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000618016972 JI Annotated Anodyne C[C@@]1(C2CCN(C(=O)c3ccccc3Cn3cccn3)CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000618016975 JI Annotated Anodyne Cn1c(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)cc2cc(F)ccc21 ZINC000618017020 JI Annotated Anodyne CC(C)N1CCC(C(=O)N2CCC3(CCCCCOc4ccccc4C(=O)NC3)CC2)CC1 ZINC000618017023 JI Annotated Anodyne CN([C@@H]1CCC[C@@H](Nc2ccccc2Cc2ccccc2)[C@@H]1O)S(=O)(=O)c1ccccc1 ZINC000618017064 JI Annotated Anodyne CC(C)c1nnc(CCC(=O)N2CCN(Cc3ccccc3)CCCNc3ccccc3C2)o1 ZINC000618017137 JI Annotated Anodyne CC(C)CN1C(=O)C2(CCN(CC(=O)Nc3ccccc3C(=O)O)CC2)C[C@H]1Cc1cccc(F)c1 ZINC000618017152 JI Annotated Anodyne CC(C)CN1C(=O)C2(CCN(CC(=O)Nc3ccccc3C(=O)O)CC2)C[C@@H]1Cc1cccc(F)c1 ZINC000618017154 JI Annotated Anodyne O=C1NCC2(CCCCCCOc3ccccc31)CCN(C(=O)CCCc1cn[nH]c1)CC2 ZINC000618017248 JI Annotated Anodyne CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC2(CC/C=C(\C)CCOc3ccccc3C(=O)NC2)CC1 ZINC000618017516 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCNC(=O)c2cccc(c2)Cc2cc(Br)ccc2OCC1 ZINC000618017834 JI Annotated Anodyne CCc1c(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCNC3=O)C2)[nH]c2ccc(C)cc12 ZINC000618018338 JI Annotated Anodyne CCc1c(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)[nH]c2ccc(C)cc12 ZINC000618018339 JI Annotated Anodyne CN1CCCCN(S(=O)(=O)c2ccccc2F)[C@@H](Cc2ccccc2)COc2ccccc2C1=O ZINC000618018354 JI Annotated Anodyne Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)C[C@H]1C)O3 ZINC000062178849 JI Annotated Mild FC(F)(F)Oc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225096 JI Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(-n3cccc3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225128 JI Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(-c3ccccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225151 JI Annotated Anodyne O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)SC1=S ZINC000062233371 JI Annotated Clean CONC(=O)c1ccc(C)c(Nc2nc(NC[C@@H]3CCC[C@H](CN)C3)nc(N[C@@H](C)C(C)(C)C)n2)c1 ZINC000062260323 JI Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(NC[C@@H]3CCC[C@H](CN)C3)nc(N[C@H](C)C(C)(C)C)n2)c1 ZINC000062260325 JI Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(NC[C@H]3CCC[C@H](CN)C3)nc(N[C@@H](C)C(C)(C)C)n2)c1 ZINC000062260326 JI Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(NC[C@H]3CCC[C@H](CN)C3)nc(N[C@H](C)C(C)(C)C)n2)c1 ZINC000062260328 JI Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(NC[C@@H]3CCC[C@H](CN)C3)nc(NC3CCCCC3)n2)c1 ZINC000062260331 JI Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(NC[C@H]3CCC[C@H](CN)C3)nc(NC3CCCCC3)n2)c1 ZINC000062260335 JI Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(NC[C@@H]3CCC[C@@H](CN)C3)nc(NC3CCCCC3)n2)c1 ZINC000062260337 JI Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)c1ccc(Cl)cc1)C(=O)N=c1cc[nH]cc1 ZINC000621429372 JI Annotated Anodyne CC1(C)C(=O)C[C@@H]([C@H]2CO2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000621431318 JI Annotated Reactive CC1(C)C(=O)C[C@@H]([C@@H]2CO2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000621431319 JI Annotated Reactive COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)/C(C#N)=C/C4CC4)c3)n2)cc1 ZINC000621431601 JI Annotated Reactive COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cc(OC)ccc1OC ZINC000621441632 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cc(OC)ccc1OC ZINC000621441633 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cc(OC)ccc1OC ZINC000621441634 JI Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cc(OC)ccc1OC ZINC000621441635 JI Annotated Mild OCc1ccc2c(c1)C1(CCCCC1)c1cc(Br)ccc1N2CCc1nn[nH]n1 ZINC000621476078 JI Annotated Anodyne CCOC(=O)c1cc(Br)cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 ZINC000621476438 JI Annotated Bother C=CS(=O)(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)o1 ZINC000621485613 JI Annotated Anodyne CCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1ccc(Br)cc1 ZINC000621485701 JI Annotated Anodyne O=C(Nc1cnn(Cc2cn3ccccc3n2)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 ZINC000062602732 JI Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21 ZINC000063298076 JI Annotated Anodyne CC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1 ZINC000063298607 JI Annotated Anodyne CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12 ZINC000063540195 JI Annotated Anodyne CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12 ZINC000063540200 JI Annotated Anodyne CCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064235570 JI Annotated Mild CCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064235573 JI Annotated Mild CC1CCN(Cc2cc(CN3CCC(C)CC3)c(O)c(=O)c(CN3CCC(C)CC3)c2)CC1 ZINC000064245757 JI Annotated Anodyne C[C@H]1CCCN(Cc2cc(CN3CCC[C@@H](C)C3)cc(CN3CCC[C@H](C)C3)c(=O)c2O)C1 ZINC000064245775 JI Annotated Anodyne O=S(=O)(NC[C@H](c1cccc2c1OCO2)N1CCCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000064311367 JI Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000064311396 JI Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2Br)[nH]n1 ZINC000064348817 JI Annotated Anodyne COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1O[C@@H]1CCCCO1 ZINC000064361620 JI Annotated Anodyne CCN1CCN(CCN2CCC3(N(C)C)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000064361708 JI Annotated Anodyne CCN1CCN(CCN2CCC3(N(C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000064361710 JI Annotated Anodyne C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C(=O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000064373176 JI Annotated Anodyne N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1cc(Br)c2c(c1)OCO2 ZINC000064373302 JI Annotated Reactive C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C(=O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000064373511 JI Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)c2ccc(O)cc2)ccc1O ZINC000064380874 JI Annotated Reactive COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O ZINC000064380875 JI Annotated Reactive COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O ZINC000064380876 JI Annotated Reactive Cc1c(C(=O)NCc2ccc(Br)cc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000064415803 JI Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000064417310 JI Annotated Anodyne NC(=O)c1c(-c2ccccc2)cc(C(F)(F)F)c2c1N=C(c1ccc(O)cc1)N1CCN=C21 ZINC000064436861 JI Annotated Anodyne NC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)c2c1N=C(c1ccc(O)cc1)N1CCN=C21 ZINC000064436863 JI Annotated Anodyne CSc1ccc(Cc2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)o2)cc1 ZINC000064436920 JI Annotated Bother Fc1ccc(F)c2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 ZINC000064437160 JI Annotated Anodyne O=c1c2ccccc2c(Cc2nnc(-c3ccc(Cl)nc3)o2)nn1Cc1ccc(Cl)nc1 ZINC000064446605 JI Annotated Anodyne CC(C)c1csc(-c2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccccc2Cl)n1 ZINC000064446977 JI Annotated Mild Cc1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 ZINC000064447358 JI Annotated Anodyne O=c1c2ccccc2c(Cc2nnc(-c3ccc(F)cc3)o2)nn1Cc1cnc(Cl)s1 ZINC000064447383 JI Annotated Anodyne CC(C)c1csc(-c2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccccc2Cl)n1 ZINC000064447463 JI Annotated Mild CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc([N+](=O)[O-])cc4)c4ccccc34)[C@@H]21 ZINC000064448583 JI Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc([N+](=O)[O-])cc4)c4ccccc34)[C@H]21 ZINC000064448585 JI Annotated Clean Cc1ccc2nc(/N=C3\NC(=O)/C(=C/c4cc(Cl)ccc4OCC(N)=O)S3)sc2c1 ZINC000064453526 JI Annotated Mild COc1cc(-c2nc(CNCCCN(C)C)cc3c4ccccc4n(C)c23)cc(OC)c1OC ZINC000064453695 JI Annotated Anodyne O=c1c2ccccc2c(Cc2nnc(-c3ccc(Cl)nc3)o2)nn1Cc1cnc(Cl)s1 ZINC000064453888 JI Annotated Anodyne O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12 ZINC000064453926 JI Annotated Anodyne COc1ccc([C@@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)OC(C)(C)OC3=O)cc1 ZINC000064510570 JI Annotated Anodyne COc1ccc([C@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)OC(C)(C)OC3=O)cc1 ZINC000064510572 JI Annotated Anodyne N#Cc1cccc(/C(O)=N/c2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2ccncc2)c1 ZINC000064513053 JI Annotated Mild COc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1OC ZINC000064513825 JI Annotated Anodyne O=c1cc(CCl)oc(CN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1O ZINC000064516324 JI Annotated Reactive O=C(O)C[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000064521416 JI Annotated Anodyne O=C(/C=C/c1ccccc1)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1 ZINC000064527128 JI Annotated Anodyne Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3cccc(C(N)=O)c3)CC2)ncc1F ZINC000064527400 JI Annotated Mild Cc1cnc(NC2CCN(c3cccc(C(N)=O)c3)CC2)nc1Oc1c(C)cc(C#N)cc1C ZINC000064527401 JI Annotated Mild Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)n1 ZINC000064527424 JI Annotated Mild COc1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2C(=O)O)cc1Cc1ccc(F)cc1 ZINC000064527506 JI Annotated Clean N#Cc1cccc(/C(O)=N/c2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2cccnc2)c1 ZINC000064527857 JI Annotated Mild CC(=O)Nc1c(C#N)c(-c2ccccc2)cn1-c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000064527887 JI Annotated Mild Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCO)cc2n1-c1ccccc1 ZINC000064528206 JI Annotated Anodyne COc1cc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000064528491 JI Annotated Anodyne Cc1cc(C#N)cc(Cl)c1Oc1ccnc(NC2CCN(c3cccc(C(N)=O)c3)CC2)n1 ZINC000064540945 JI Annotated Mild COc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3cccc(C(N)=O)c3)CC2)ncc1Cl ZINC000064541154 JI Annotated Mild CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 ZINC000064548435 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000064548544 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000064548545 JI Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000064548585 JI Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000064548586 JI Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000064548587 JI Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000064548588 JI Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(Br)c(Br)o3)CC2)nc1 ZINC000064549297 JI Annotated Anodyne CCCCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064549408 JI Annotated Mild CCCCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064549409 JI Annotated Mild COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccccc43)C23C(=O)c2ccccc2C3=O)cc1 ZINC000064559108 JI Annotated Clean COc1ccc([C@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccc(Br)cc23)cc1 ZINC000064559116 JI Annotated Anodyne COc1ccc([C@@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccc(Br)cc23)cc1 ZINC000064559117 JI Annotated Anodyne Cc1ccccc1[C@H]1[C@@H]2CSCN2[C@@]2(C(=O)Nc3ccccc32)C12C(=O)c1ccccc1C2=O ZINC000064559133 JI Annotated Clean CN1C/C(=C\c2cccs2)C(=O)[C@@]2(C1)[C@H](c1cccs1)CN(C)[C@]21C(=O)N(C)c2ccccc21 ZINC000064559226 JI Annotated Mild COc1ccc(-n2c(S)nnc2-c2cn(C3CC3)c3c(OC)c(F)c(F)cc3c2=O)cc1 ZINC000064559233 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000064559839 JI Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000064559841 JI Annotated Anodyne CC(C)(CNC(=O)C1(C(F)(F)F)CC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559991 JI Annotated Anodyne O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000064560336 JI Annotated Clean CCCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064560429 JI Annotated Mild CCCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064560430 JI Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCC(=O)O ZINC000064573735 JI Annotated Mild Oc1cc(O)c2cc1Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)C2 ZINC000064624962 JI Annotated Anodyne in-vitro CCCN[C@@H]1COCCN1c1nc(N2CCCc3ccccc32)nc(N2CCCc3ccccc32)n1 ZINC000064637972 JI Annotated Anodyne O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1 ZINC000064704915 JI Annotated Anodyne Cc1cc(CNC(=O)[C@@H]2C[C@H]2[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)nn1C ZINC000064754832 JI Annotated Reactive Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2cccs2)CC1 ZINC000006530382 JI Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)C)cc1 ZINC000006577995 JI Annotated Anodyne COc1ccc2nccc(N3CCC(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1 ZINC000006716188 JI Annotated Anodyne COc1ccc([C@H]2ON=C(S(=O)(=O)c3ccccc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000006718461 JI Annotated Anodyne COc1cc(OCc2csc(N3CCOCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653661723 JI Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccnc(Cl)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663517 JI Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663522 JI Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663523 JI Annotated Anodyne COc1ccccc1CN(C)C(=O)c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653663539 JI Annotated Anodyne COc1ccccc1CN(C)C(=O)c1ccc2c(c1)CC[C@@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653663540 JI Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc4nccnc4c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663551 JI Annotated Anodyne C[C@H]1CCc2cc(-c3nc(Cl)nc4c3COCC4)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653666151 JI Annotated Anodyne CCOC(=O)c1nc(C)nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c1C ZINC000653666154 JI Annotated Anodyne CC1(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3cc[nH]n3)cc2F)CCOCC1 ZINC000653666169 JI Annotated Clean C[C@H]1CCc2cc(C(=O)N(C)Cc3cccc4c3ccc[n+]4C)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653667299 JI Annotated Anodyne COc1ccc(CN(C)C(=O)c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)cc1 ZINC000653667308 JI Annotated Anodyne COc1ccc(CN(C)C(=O)c2ccc3c(c2)CC[C@@H](C)N3C(=O)c2ccc(O)cc2O)cc1 ZINC000653667309 JI Annotated Anodyne COc1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)cc1OC ZINC000653668772 JI Annotated Anodyne COCCN1C[C@@H]2CC(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)C[C@H](C2)C1 ZINC000653668920 JI Annotated Anodyne COc1cc(OCc2csc(CN(C)C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653669350 JI Annotated Anodyne C[C@H]1CO[C@](C)(Cc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2)O1 ZINC000653669545 JI Annotated Clean C[C@@H]1CO[C@](C)(Cc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2)O1 ZINC000653669546 JI Annotated Clean C[C@H]1CO[C@@](C)(Cc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2)O1 ZINC000653669547 JI Annotated Clean C[C@@H]1CO[C@@](C)(Cc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2)O1 ZINC000653669548 JI Annotated Clean COc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653670291 JI Annotated Anodyne FC(F)Oc1ccc(Cl)cc1CN1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000653670311 JI Annotated Anodyne CC(C)S(=O)(=O)c1cccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)c1 ZINC000653671278 JI Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)CC(F)(F)F)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653674069 JI Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)CC(F)(F)F)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653674072 JI Annotated Anodyne Cc1nc(N(C)C)nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c1C ZINC000653678251 JI Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)NCCN(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653678260 JI Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)NCCN(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653678261 JI Annotated Anodyne COc1cc(OCc2csc(N3CC[C@@H](O)C3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679176 JI Annotated Anodyne c1ccc(-c2csc3nc(N4CCC(COCCN5C[C@H]6C[C@H]5CO6)CC4)ncc23)cc1 ZINC000653681053 JI Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3nc4ccccc4n3C)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653681802 JI Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3nc4ccccc4n3C)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653681803 JI Annotated Anodyne Cc1cc(OC(F)(F)F)cc([C@@H]2c3c(c4cccnc4c4ncccc34)N[C@@]3(O)COC(=O)[C@H]23)c1 ZINC000653687522 JI Annotated Bother Cc1ccc(OC(F)(F)F)cc1[C@@H]1c2c(c3cccnc3c3ncccc23)N[C@@]2(O)COC(=O)[C@H]12 ZINC000653687584 JI Annotated Bother COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000653688544 JI Annotated Anodyne C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@@H]1C[C@H](O)c1ccccc1 ZINC000653688551 JI Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@H]1C[C@@H](O)c1ccccc1 ZINC000653688552 JI Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@@H]1C[C@@H](O)c1ccccc1 ZINC000653688553 JI Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@H]1C[C@H](O)c1ccccc1 ZINC000653688554 JI Annotated Mild COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000653689039 JI Annotated Bother COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000653689040 JI Annotated Bother O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000653689415 JI Annotated Mild O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000653689448 JI Annotated Mild O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccccc3OC(F)(F)F)[C@H]12 ZINC000653689959 JI Annotated Bother COc1cc(OC(F)(F)F)ccc1[C@@H]1c2c(c3cccnc3c3ncccc23)N[C@@]2(O)COC(=O)[C@@H]12 ZINC000653689962 JI Annotated Bother O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3cccc(OC(F)(F)F)c3)[C@@H]12 ZINC000653689963 JI Annotated Bother O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]12 ZINC000653689993 JI Annotated Bother CCN(CC)CCCCn1c(N)c(-c2nc3ccc(Cl)cc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653690490 JI Annotated Mild COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000653691042 JI Annotated Anodyne O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccccc3C(F)(F)F)[C@@H]12 ZINC000653692040 JI Annotated Bother O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3cccc(C(F)(F)F)c3)[C@@H]12 ZINC000653692043 JI Annotated Bother O=[N+]([O-])c1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(I)cc3)cc2)no1 ZINC000653692158 JI Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3cc(NC[C@@H](C)NC(=O)OC)ncc3c2)c1F ZINC000653694206 JI Annotated Anodyne COc1cc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000653695828 JI Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccc[nH]1 ZINC000653697817 JI Annotated Reactive COc1c(C(=O)NCCN(C)C)cccc1-c1cc2c(=N[C@H](C)c3ccccc3)nc[nH]c2s1 ZINC000653697826 JI Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccc(-c3cnn(CCO)c3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653699595 JI Annotated Anodyne COC(=O)[C@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1)C(C)C ZINC000653699872 JI Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1)C(C)C ZINC000653699873 JI Annotated Anodyne COC(=O)[C@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1)C(C)C ZINC000653699874 JI Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1)C(C)C ZINC000653699875 JI Annotated Anodyne Cn1cc(-c2ccc(COc3ccccc3-c3cc(=O)n([C@H]4CCCC[C@@H]4O)cn3)cc2)cn1 ZINC000653699908 JI Annotated Anodyne CC(=O)Nn1c(S)nnc1COc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000653699911 JI Annotated Anodyne CC(=O)Nn1c(S)nnc1COc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000653699912 JI Annotated Anodyne Cc1cc(C#N)cc(C)c1Oc1cc(NCCN2CCNCC2)nc(Nc2ccc(C#N)cc2)c1 ZINC000653699920 JI Annotated Mild Cn1cc(-c2ccc(COc3ccccc3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)cn2)cn1 ZINC000653699925 JI Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(N)=O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000653700703 JI Annotated Reactive Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1C(F)(F)F ZINC000653700737 JI Annotated Anodyne CC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OCC=C(C)C)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O ZINC000653703235 JI Annotated Anodyne COc1ccc(-c2cs/c(=N\N=C\CN3C(=O)c4ccccc4C3=O)n2-c2ccccc2)cc1 ZINC000653704580 JI Annotated Mild O/N=C/c1cn(Cc2cn(-c3ccc(Br)c(C(F)(F)F)c3)nn2)c2ncccc12 ZINC000653704610 JI Annotated Mild O=S(=O)(c1ccc(F)cc1)N1C[C@H]2C[C@H]1CN2CCOc1ccccc1-c1ccccc1 ZINC000653705954 JI Annotated Anodyne Cc1cc(C)nc(SCC(=O)Nc2nnc(Cc3ccc(Br)cc3)s2)n1 ZINC000653706328 JI Annotated Anodyne O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCCN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000653707718 JI Annotated Anodyne Clc1ccc2c(N3CCN(Cc4cn(-c5ccc(Br)cc5)nn4)CC3)noc2c1 ZINC000653708514 JI Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000653710189 JI Annotated Bother CCN(CC)Cc1cc(/C=C2\CNC/C(=C\c3ccc(O)c(CN(CC)CC)c3)C2=O)ccc1O ZINC000653710288 JI Annotated Mild CC(C)(NC(=O)C1(C(F)(F)F)CC1)C(=O)Nc1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000653712769 JI Annotated Anodyne Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000653714962 JI Annotated Anodyne O=C1Nc2nc(Oc3ccccc3)nc(On3nnc4ccccc43)c2C[C@@H]1c1ccc(F)cc1 ZINC000653714980 JI Annotated Anodyne O=C1Nc2nc(Oc3ccccc3)nc(On3nnc4ccccc43)c2C[C@H]1c1ccc(F)cc1 ZINC000653714981 JI Annotated Anodyne C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@@H]1CC(=O)c1ccccc1 ZINC000653716290 JI Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@H]1CC(=O)c1ccccc1 ZINC000653716291 JI Annotated Mild Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)[C@H](C(=O)Nc1ccncn1)CS2 ZINC000653721487 JI Annotated Anodyne Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)[C@@H](C(=O)Nc1ccncn1)CS2 ZINC000653721488 JI Annotated Anodyne O=C(N1CCC(n2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)CC1)C1(c2ccccc2)CC1 ZINC000653721998 JI Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(/CCNC2=CC(=O)c3ccccc3C2=O)Nc2ccc(F)cc2)cc1 ZINC000653723550 JI Annotated Mild COc1ccc(CNC(=O)c2c(O)c3cc(-c4cccs4)ccc3n(CCCCO)c2=O)cc1 ZINC000653726401 JI Annotated Anodyne COc1ccc(C2(C(=O)N3CCC(n4nc(-c5ccc(C(F)(F)F)cc5)oc4=O)CC3)CC2)cc1 ZINC000653729581 JI Annotated Anodyne COc1ccc(CN2C(=O)C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1OC ZINC000653730415 JI Annotated Bother COC(=O)c1ccc(CN2C(=O)C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 ZINC000653730565 JI Annotated Bother Oc1ncnc2c(-n3cc(CCN4CCC(c5cccc(C(F)(F)F)c5)CC4)cn3)nccc12 ZINC000653730611 JI Annotated Anodyne Cc1c(O)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)nc1[C@@H](C)c1c(F)cccc1F ZINC000653732495 JI Annotated Clean Cc1c(O)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)nc1[C@H](C)c1c(F)cccc1F ZINC000653732496 JI Annotated Clean CC(=O)C1=C(CNc2ccc(C3=NN[C@H](c4ccc(O)cc4)C3)cc2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000653737359 JI Annotated Mild CC(=O)C1=C(CNc2ccc(C3=NN[C@@H](c4ccc(O)cc4)C3)cc2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000653737360 JI Annotated Mild CC(=O)C1=C(CNc2ccc(C3=NN[C@H](c4ccc(O)cc4)C3)cc2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000653737361 JI Annotated Mild CC(=O)C1=C(CNc2ccc(C3=NN[C@@H](c4ccc(O)cc4)C3)cc2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000653737362 JI Annotated Mild O=C(O)Cc1cc(Cc2ccccc2S(=O)(=O)c2ccccc2)c2nc(C(F)(F)F)ccn12 ZINC000653737515 JI Annotated Anodyne COc1cccc(CN2C(=O)C[C@@H](c3cc(OC)cc(OC)c3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)c1 ZINC000653739124 JI Annotated Bother CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)CCc2cc(C3(C(F)(F)F)N=N3)ccc21 ZINC000653739179 JI Annotated Anodyne O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000653742641 JI Annotated Anodyne O=CN1N=C(c2ccc(Br)cc2)C[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000653742642 JI Annotated Anodyne Oc1ncnc2c(-n3cc(CCN4CCC(Cc5ccc(C(F)(F)F)cc5)CC4)cn3)nccc12 ZINC000653742691 JI Annotated Anodyne Cc1ccc(S(=O)(=O)NC(CCNC2=CC(=O)c3ccccc3C2=O)=Nc2cccc(C)c2)cc1 ZINC000653743800 JI Annotated Mild COCCSCCC(=O)N1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 ZINC000653744921 JI Annotated Mild O=C(N1CCC(n2nc(-c3cccc(C(F)(F)F)c3)oc2=O)CC1)C1(c2ccccc2)CC1 ZINC000653746391 JI Annotated Anodyne CSN1C(=O)C[C@H]1N(OCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000653746699 JI Annotated Bother CSN1C(=O)C[C@@H]1N(OCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000653746700 JI Annotated Bother CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)ccc1O2 ZINC000653746705 JI Annotated Anodyne Cn1cc(-c2ccc3c(OCCn4c(=O)oc5cc(-c6cnn(C)c6)ccc54)ccnc3c2)cn1 ZINC000653747394 JI Annotated Anodyne COc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2cccc(Cl)c2)C(=O)c2ccncc2)cc1 ZINC000653747916 JI Annotated Reactive Cc1cc(-c2nnc(-c3cc(F)c(O[C@H]4COC[C@H]4O)cc3Cl)s2)cc(NC(C)C)n1 ZINC000653749309 JI Annotated Anodyne COc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1 ZINC000653749369 JI Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3c(OC)cc(N)cc3OC)C2)C1 ZINC000653749389 JI Annotated Anodyne Cc1ccc(S(N)(=O)=O)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752911 JI Annotated Anodyne O=C(O)CCNc1nc(-c2nccs2)cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000653754022 JI Annotated Anodyne CN1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5ccc(OC(F)(F)F)cc5)cn34)c2)CC1 ZINC000653754911 JI Annotated Anodyne COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3CC(O)C4)nc(N3[C@H]4CC[C@H]3COC4)c12 ZINC000653755637 JI Annotated Anodyne COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3COC4)nc(N3[C@H]4CC[C@H]3COC4)c12 ZINC000653755679 JI Annotated Anodyne NC(=O)[C@@H]1CCCN(c2nc(N3[C@H]4CC[C@H]3COC4)nc3scc(-c4ccccc4Cl)c23)C1 ZINC000653756245 JI Annotated Anodyne NC(=O)[C@H]1CCCN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)C1 ZINC000653756253 JI Annotated Anodyne NC(=O)[C@@H]1CCCN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)C1 ZINC000653756256 JI Annotated Anodyne CCOC(=O)c1ccccc1-c1c2ccoc2c(OCCN2CCOCC2)c2oc(=O)ccc12 ZINC000653760945 JI Annotated Anodyne Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3occ(CC(=O)NCCO)c3c2)n1 ZINC000653762209 JI Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccc(NC3CC3)nn2)cc1 ZINC000653762245 JI Annotated Anodyne Cc1nccn1-c1ccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)nn1 ZINC000653762253 JI Annotated Anodyne Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4COC(=O)N4)cc3Cl)no2)cc(NC(C)C)n1 ZINC000653762976 JI Annotated Anodyne COc1cc(C#Cc2ccc3nnc(-c4ccc(OCCCN(C)C)cc4)n3c2)cc(OC)c1 ZINC000653763579 JI Annotated Mild O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000653763865 JI Annotated Anodyne Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4OCC[C@@H]4O)cc3Cl)no2)cc(NC(C)C)n1 ZINC000653764357 JI Annotated Anodyne Cc1cc(-c2nnc(-c3cc(F)c(O[C@@H]4CNC(=O)C4)cc3Cl)s2)cc(NC(C)C)n1 ZINC000653764385 JI Annotated Anodyne Cc1cn(-c2ccc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)nn2)cn1 ZINC000653765003 JI Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=N1 ZINC000653765599 JI Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=N1 ZINC000653765600 JI Annotated Anodyne Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1[N+](=O)[O-])CCN(Cc1ccccc1)C3 ZINC000653766343 JI Annotated Mild Cc1nc(CC(C)C)cc(-c2nc(-c3cc(F)c(O[C@@H]4CCC(=O)N(C)C4)cc3Cl)no2)n1 ZINC000653767635 JI Annotated Anodyne Cc1cc(-c2nc(-c3cc(F)c(O[C@@H]4CCC(=O)NC4)cc3Cl)no2)cc(NC(C)C)n1 ZINC000653771345 JI Annotated Anodyne Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4CNC(=O)CO4)cc3Cl)s2)cc(NC(C)C)n1 ZINC000653771353 JI Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccc(N3CCOCC3)nn2)cc1 ZINC000653773140 JI Annotated Anodyne CN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)cc1 ZINC000653773166 JI Annotated Anodyne Cc1cc(-c2nc(-c3cc(F)c(O[C@H]4CCC(=O)NC4)cc3Cl)no2)cc(NC(C)C)n1 ZINC000653774606 JI Annotated Anodyne COc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2cccc(Cl)c2)C(=O)c2ccncc2)cc1OC ZINC000653775408 JI Annotated Reactive CN(C)C(=O)c1ccc(N(Cc2nc3ccccc3[nH]2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653775786 JI Annotated Anodyne Cc1nsc2cc(NC(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]3C(=O)NCCCCN3CCCC3)C43CC3)ccc12 ZINC000653776564 JI Annotated Anodyne Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4CCC(=O)N4)cc3Cl)no2)cc(NC(C)C)n1 ZINC000653777797 JI Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(Oc4ccc(F)cc4)cc2)C3=O)n1 ZINC000653778069 JI Annotated Anodyne O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000653778073 JI Annotated Reactive COc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1 ZINC000653778087 JI Annotated Reactive COc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1OC ZINC000653778089 JI Annotated Reactive O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000653778095 JI Annotated Reactive CCCOc1ccc(C(=O)OCCN(CC)CC)cc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000653780463 JI Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@H]23)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000653781560 JI Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@@H]23)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000653781562 JI Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@H]23)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000653781565 JI Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@@H]23)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000653781568 JI Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653781705 JI Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653781712 JI Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653781714 JI Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653781717 JI Annotated Mild CC1=CC[C@@H]2[C@@]3(C)[C@@H](O)CC(=O)OC(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(c(C)c(C)oc1=O)O2 ZINC000653782608 JI Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000653783639 JI Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000653783641 JI Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000653783644 JI Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000653783646 JI Annotated Mild O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cc(-c4ccncc4)cn3)cc2)c2cccnc12 ZINC000653783788 JI Annotated Anodyne CCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 ZINC000653785897 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1F)c1cc2cnc(Nc3ccc4[nH]ccc4c3)nc2nc1O ZINC000653785959 JI Annotated Anodyne O=C(OC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1)c1ccccc1 ZINC000653786018 JI Annotated Anodyne COc1ccc(Cn2c(C(=O)N3CCC(C(=O)NCC4CC4)CC3)cc3sccc32)cc1 ZINC000653786089 JI Annotated Anodyne O=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1C1CC1 ZINC000653787415 JI Annotated Anodyne CCOc1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 ZINC000653787766 JI Annotated Bother O=S(=O)(c1ccccc1)n1c(-c2cn(CCCc3c[nH]c4ncccc34)nn2)cc2cccnc21 ZINC000653789010 JI Annotated Anodyne C[C@H]1Cn2c(nnc2C2CCC2)CN1C(=O)c1cccc(C(F)(F)c2nnc(O)c3ccccc23)c1 ZINC000653799936 JI Annotated Anodyne C[C@H]1Cn2c(nnc2C(C)(C)F)CN1C(=O)c1cccc(C(F)(F)c2nnc(O)c3ccccc23)c1 ZINC000653799956 JI Annotated Anodyne CN(CCN(C)C(=O)c1cn(-c2cccc(N)c2)c2ccccc12)C(=O)c1coc2ccccc2c1=O ZINC000653799974 JI Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000653799988 JI Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000653799989 JI Annotated Anodyne C[C@H]1Cn2c(nnc2C(C)(C)C)CN1C(=O)c1cccc(C(F)(F)c2nnc(O)c3ccccc23)c1 ZINC000653799995 JI Annotated Anodyne CC(C)c1nnc2n1C[C@H](C)N(C(=O)c1cccc(C(F)(F)c3nnc(O)c4ccccc34)c1)C2 ZINC000653799997 JI Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@H]34)c3ccccc32)cc1 ZINC000653802044 JI Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@@H]34)c3ccccc32)cc1 ZINC000653802045 JI Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@@H]34)c3ccccc32)cc1 ZINC000653802046 JI Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@H]34)c3ccccc32)cc1 ZINC000653802047 JI Annotated Anodyne Cc1cc2c(C(=O)NC(C)C)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 ZINC000653802065 JI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)[C@@H]1CCC(=O)N1c1cccc3ccccc13)C2 ZINC000653803309 JI Annotated Anodyne CCc1ccc(NC(=S)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 ZINC000653804996 JI Annotated Bother CCn1c2ccccc2c2nnc(S(=O)(=O)C[C@H]3CC=C(C(C)C)[C@]34C=CC(=O)CC4)nc21 ZINC000653805827 JI Annotated Mild CCN(C(C)=O)[C@@H]1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccc(Cl)cc2)CC3)C1 ZINC000653806312 JI Annotated Anodyne CCN(C(C)=O)[C@H]1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccc(Cl)cc2)CC3)C1 ZINC000653806313 JI Annotated Anodyne c1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000653811121 JI Annotated Anodyne c1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000653811122 JI Annotated Anodyne CCN(CC)C(=O)Oc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000653812637 JI Annotated Anodyne C[C@H](c1cccc(C(F)(F)F)c1)n1cnc(-n2ccc(NC(=O)c3cscn3)cc2=O)c1 ZINC000653818659 JI Annotated Anodyne C[C@@H](c1cccc(C(F)(F)F)c1)n1cnc(-n2ccc(NC(=O)c3cscn3)cc2=O)c1 ZINC000653818660 JI Annotated Anodyne CCCNC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653821710 JI Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(C3CCCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821711 JI Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(C3CCCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821712 JI Annotated Anodyne COC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(CC(C)(C)O)c5)cc4)c3c2)C1 ZINC000653822603 JI Annotated Anodyne Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ncccc23)c1C ZINC000653822818 JI Annotated Anodyne Cc1ccc([C@@H](C)OC[C@H](O)CN2CCC[C@@]2(C)Cc2ccccc2)c2c1O[C@@H]1[C@@H](C(=O)O)[C@H]21 ZINC000653823116 JI Annotated Anodyne Cc1ccc([C@@H](C)OC[C@H](O)CN2CCC[C@]2(C)Cc2ccccc2)c2c1O[C@@H]1[C@@H](C(=O)O)[C@H]21 ZINC000653823117 JI Annotated Anodyne C=CC(=O)N1CCC(Nc2ncnc(NC)c2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000653827955 JI Annotated Anodyne CCCCCCCCCCOc1cc2c(=O)c(C(=O)NCCOCCO)c[nH]c2cc1OCC ZINC000653829386 JI Annotated Mild Nc1nc(Cl)c2ncn(C[C@@H]3C[C@H](CO)c4c(-c5ccccc5)nnc(-c5ccccc5)c43)c2n1 ZINC000653829533 JI Annotated Anodyne Cc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1OC1CCN(C(=O)c2ccno2)CC1 ZINC000653830136 JI Annotated Anodyne c1ccc2[nH]c(-c3ccc(Nc4nc(=NC5CCCCC5)nc(N5CCOCC5)[nH]4)cc3)nc2c1 ZINC000653830151 JI Annotated Anodyne COc1ccc2c(c1)[C@@H](C[N+]1(C)CCCC1)N(C(=O)[C@H]1CC(=O)c3ccc(Cl)cc31)CC2 ZINC000653831278 JI Annotated Bother COc1ccc2c(c1)[C@@H](C[N+]1(C)CCCC1)N(C(=O)[C@@H]1CC(=O)c3ccc(Cl)cc31)CC2 ZINC000653831279 JI Annotated Bother COc1ccc2c(c1)[C@H](C[N+]1(C)CCCC1)N(C(=O)[C@@H]1CC(=O)c3ccc(Cl)cc31)CC2 ZINC000653831280 JI Annotated Bother COc1ccc2c(c1)[C@H](C[N+]1(C)CCCC1)N(C(=O)[C@H]1CC(=O)c3ccc(Cl)cc31)CC2 ZINC000653831281 JI Annotated Bother CC(C)NC(=O)c1cccc2nc(-c3ccc(COC(=O)Cc4ccc(O)c(O)c4)cc3)oc12 ZINC000653831413 JI Annotated Clean C=CC(=O)N1CCC[C@@H](Nc2ncnc(N(C)C)c2C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000653833231 JI Annotated Anodyne C=CC(=O)N1CCC[C@@H](Nc2ncnc(NC)c2C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000653833282 JI Annotated Anodyne CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)c4ccc(O)c(O)c4O)cc3)oc12 ZINC000653834945 JI Annotated Clean O=C(Nc1ccc(N2CCC[C@H](C(=O)O)C2)cc1)c1cc(Br)c(Br)[nH]1 ZINC000653836229 JI Annotated Anodyne O=C(Nc1ccc(N2CCC[C@@H](C(=O)O)C2)cc1)c1cc(Br)c(Br)[nH]1 ZINC000653836230 JI Annotated Anodyne COC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2)C1 ZINC000653837607 JI Annotated Anodyne COC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2)C1 ZINC000653837610 JI Annotated Anodyne CCN(CC)CCOc1ccc(-n2c3c(c4ccc(O)cc4c2=O)C(=O)c2cc(O)ccc2-3)cc1 ZINC000653837929 JI Annotated Clean O=c1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(N[C@@H](CO)Cc2ccccc2)c1=O ZINC000653842118 JI Annotated Anodyne Cc1c(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)ccc[n+]1[O-] ZINC000653842150 JI Annotated Anodyne O=c1nc(O)c(Br)c(COCc2ccc(Cl)cc2)n1COCc1ccccc1 ZINC000653842886 JI Annotated Anodyne Cn1cc(-c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 ZINC000653843492 JI Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(Cc1cccnc1)C2=O ZINC000653844317 JI Annotated Anodyne CC(C)(O)Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 ZINC000653846528 JI Annotated Anodyne N#Cc1cccc(OC(=O)N2CCN(c3nc(C4=NO[C@@H](c5ccccc5)C4)cs3)CC2)c1 ZINC000653847503 JI Annotated Mild N#Cc1cccc(OC(=O)N2CCN(c3nc(C4=NO[C@H](c5ccccc5)C4)cs3)CC2)c1 ZINC000653847504 JI Annotated Mild CC(C)(C)CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653847542 JI Annotated Anodyne O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653847543 JI Annotated Reactive O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653847544 JI Annotated Reactive O=c1c2ccc(C(F)(F)F)nc2ncn1Cc1cc(-c2ccc(Br)cc2)no1 ZINC000653848297 JI Annotated Anodyne Cn1cc(-c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 ZINC000653849087 JI Annotated Anodyne CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21 ZINC000653849306 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)c1ccccc1F ZINC000653849881 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)c1cccc(F)c1 ZINC000653849893 JI Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)C1CCCC1 ZINC000653850816 JI Annotated Anodyne O=c1c2ccc(C(F)(F)F)nc2nc(-c2ccccc2)n1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000653851636 JI Annotated Bother O=C1c2cccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2C(=O)N1c1cccnc1 ZINC000653851639 JI Annotated Anodyne N#Cc1ccc(OC(=O)N2CCN(c3nc(C4=NO[C@@H](c5ccccc5)C4)cs3)CC2)cc1 ZINC000653851997 JI Annotated Mild N#Cc1ccc(OC(=O)N2CCN(c3nc(C4=NO[C@H](c5ccccc5)C4)cs3)CC2)cc1 ZINC000653851998 JI Annotated Mild O=C(O)COC1CCN(CCN(C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000653853388 JI Annotated Anodyne O=c1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(N[C@H]2c3ccccc3C[C@H]2O)c1=O ZINC000653854365 JI Annotated Anodyne CC(C)CS(=O)(=O)n1ccc2c(-c3ccccc3C(F)(F)F)cc(N3CCN(C)CC3)nc21 ZINC000653854395 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653854440 JI Annotated Anodyne CC(C)CS(=O)(=O)n1ccc2c(-c3cccc(C(F)(F)F)c3)cc(N3CCN(C)CC3)nc21 ZINC000653854665 JI Annotated Anodyne CCC[C@@H](C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653856232 JI Annotated Anodyne CCC[C@H](C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653856233 JI Annotated Anodyne CN(CCCCNC(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H]1Cc2cccc3nc(O)n(c23)C1 ZINC000653856253 JI Annotated Anodyne O=C(NCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653857047 JI Annotated Anodyne O=C1C(O)=C([C@@H](NCCCCl)c2cc(Br)ccc2O)C(=O)c2ccccc21 ZINC000653857476 JI Annotated Reactive O=C1C(O)=C([C@H](NCCCCl)c2cc(Br)ccc2O)C(=O)c2ccccc21 ZINC000653857479 JI Annotated Reactive COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(Br)c1 ZINC000653857488 JI Annotated Anodyne CC(C)OP(=O)(Nc1ccc(-c2cc3ccc(OS(N)(=O)=O)cc3oc2=O)cc1)OC(C)C ZINC000653857964 JI Annotated Anodyne CC(C)OC(=O)N1CCC(n2ncc3cc(-c4cc(F)c(C(=O)N(C)C)cc4F)ncc32)CC1 ZINC000653859560 JI Annotated Anodyne COc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)C[C@@H](c4c(C)noc4C)SC(=N)N3)c2)cn1 ZINC000653859653 JI Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)c2)nc2ccccc21 ZINC000653861114 JI Annotated Anodyne CCCCc1nc(/C=N/N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)c(Cl)[nH]1 ZINC000653864030 JI Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Br)cc1 ZINC000653864117 JI Annotated Anodyne Cn1ncc(Br)c1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1 ZINC000653864142 JI Annotated Anodyne NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 ZINC000653864185 JI Annotated Anodyne Cn1c(CCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc21 ZINC000653865321 JI Annotated Anodyne CCCCc1cn([C@@H](CN2CCN(CCO)CC2)c2ccc3sc4ccccc4c3c2)nn1 ZINC000653866683 JI Annotated Anodyne CCCCc1cn([C@H](CN2CCN(CCO)CC2)c2ccc3sc4ccccc4c3c2)nn1 ZINC000653866684 JI Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@@H](C(=O)OCCN1CCCC1)c1ccccc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866751 JI Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@H](C(=O)OCCN1CCCC1)c1ccccc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866753 JI Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@@H](C(=O)OCC)c1ccc(OC)cc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866810 JI Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@H](C(=O)OCC)c1ccc(OC)cc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866813 JI Annotated Mild CCn1cc(-c2csc(N)n2)c(=O)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)cc21 ZINC000653870748 JI Annotated Anodyne CN1CCN(CCCN2CC3[C@@H](c4ccccc4)CC(N(C)C)(C[C@@H]3c3ccccc3)C2)CC1 ZINC000653873506 JI Annotated Anodyne CN1CCN(CCCN2CC3[C@H](c4ccccc4)CC(N(C)C)(C[C@H]3c3ccccc3)C2)CC1 ZINC000653873508 JI Annotated Anodyne CN1CCN(CCCN2C[C@@H]3[C@@H](c4ccccc4)C[C@](N(C)C)(C[C@H]3c3ccccc3)C2)CC1 ZINC000653873509 JI Annotated Anodyne CSC(SC)=C(C#N)C(=O)N/N=C(\C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000653874476 JI Annotated Reactive CC(C)c1c(NC(=O)Nc2ccc(-n3cc(CN)cn3)c(Cl)c2)cnc2cc(Cl)nn12 ZINC000653878780 JI Annotated Anodyne COc1ccc(C(=O)C2CCN(C(=O)CCCc3nc(O)c4csc(C)c4n3)CC2)cc1C ZINC000653878783 JI Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(OC(F)(F)F)cc3)O2)n1 ZINC000653878884 JI Annotated Anodyne COC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cc2ccc(OC)cc2nc1Cl)CCC3 ZINC000653882116 JI Annotated Anodyne COC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1cc2ccc(OC)cc2nc1Cl)CCC3 ZINC000653882117 JI Annotated Anodyne Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccccc1Cl ZINC000653884747 JI Annotated Reactive Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccc(Cl)cc1 ZINC000653884748 JI Annotated Reactive O=C(/C=C/c1ccc2c(c1)OCO2)NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653886921 JI Annotated Anodyne N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1)c1ccccn1 ZINC000653890213 JI Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1)c1ccccn1 ZINC000653890218 JI Annotated Anodyne COc1ccc(C[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(=O)O)cc1Oc1ccc(F)cc1 ZINC000653890284 JI Annotated Clean COc1ccc(C[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(=O)O)cc1Oc1ccc(F)cc1 ZINC000653890285 JI Annotated Clean CCOC(=O)CCN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC1=S ZINC000653891083 JI Annotated Clean CCOC(=O)CCN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC1=S ZINC000653891087 JI Annotated Clean O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(OC(F)(F)F)c3)O2)n1 ZINC000653891102 JI Annotated Anodyne O=C(CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000653891178 JI Annotated Bother O=C(CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000653891179 JI Annotated Bother Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)c2)nc2ccccc21 ZINC000653899228 JI Annotated Anodyne Cc1cncc(-c2ccc(-c3cc4cncnc4n(C[C@@H]4CC[C@@H](N)CC4)c3=O)c(Cl)c2)n1 ZINC000653899269 JI Annotated Anodyne CC(C)[C@@]12C[C@@H](NC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)c1ccc2ccccc2c1 ZINC000653901779 JI Annotated Anodyne N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1cccc(Br)c1)c1ccccn1 ZINC000653905151 JI Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1cccc(Br)c1)c1ccccn1 ZINC000653905152 JI Annotated Anodyne N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Br)c1ccccn1 ZINC000653905156 JI Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Br)c1ccccn1 ZINC000653905157 JI Annotated Anodyne O=C(Cc1ccc(OC(F)(F)F)cc1)NCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653905720 JI Annotated Anodyne Cc1nc(-c2ccccc2)sc1-c1ccn(-c2ccc(S(=O)(=O)/N=C/N(C)C)cc2)n1 ZINC000653912221 JI Annotated Mild O=[N+]([O-])c1cccc(Cl)c1Oc1cccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1 ZINC000653912818 JI Annotated Bother O=[N+]([O-])c1cccc(Cl)c1Oc1cccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)c1 ZINC000653912824 JI Annotated Bother CC(C)(C)OC(=O)NCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000653913919 JI Annotated Mild CC(C)(C)OC(=O)NCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000653913920 JI Annotated Mild CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(Cl)c(C(F)(F)F)n1 ZINC000653913922 JI Annotated Anodyne O=C1Nc2nc(Nc3ccccc3)nc(On3nnc4ccccc43)c2C[C@@H]1c1ccc(F)cc1 ZINC000653918662 JI Annotated Anodyne O=C1Nc2nc(Nc3ccccc3)nc(On3nnc4ccccc43)c2C[C@H]1c1ccc(F)cc1 ZINC000653918663 JI Annotated Anodyne COC(=O)CCC#Cc1ccc(C(=O)Oc2ccc(C3(C(F)(F)F)N=N3)cc2[N+](=O)[O-])cc1 ZINC000066066051 JI Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCCCn1cc(CCCCCc2c[nH]c(N)n2)nn1 ZINC000066066316 JI Annotated Anodyne COc1cc(C(=O)/C=C/c2cccnc2)cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1O ZINC000066066560 JI Annotated Mild Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc([C@@H]2CNCC[C@@H]2CC(C)C)c1 ZINC000066073836 JI Annotated Anodyne Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc([C@H]2CNCC[C@@H]2CC(C)C)c1 ZINC000066073837 JI Annotated Anodyne Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc([C@@H]2CNCC[C@H]2CC(C)C)c1 ZINC000066073838 JI Annotated Anodyne Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc([C@H]2CNCC[C@H]2CC(C)C)c1 ZINC000066073839 JI Annotated Anodyne CC(=O)N(c1cc(C)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1)C1CCCCC1 ZINC000066073840 JI Annotated Anodyne c1cc(-c2sc(-c3ccc(C4=NCCCN4)cc3)c3c2OCCO3)ccc1C1=NCCCN1 ZINC000066075676 JI Annotated Anodyne O=C1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZINC000066075733 JI Annotated Anodyne O=C1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZINC000066075734 JI Annotated Anodyne COc1ccc([C@@H]2c3c(nc(N)[nH]c3=O)N=C(c3ccccc3)[C@H]2c2ccccc2)cc1OC ZINC000066076897 JI Annotated Anodyne COc1cc([C@@H]2c3c(nc(N)[nH]c3=O)N=C(c3ccccc3)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000066076899 JI Annotated Anodyne CN1CCN(C(=O)C(CN)(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000066076948 JI Annotated Anodyne CN(C)C(=O)C[S@@](=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000066077345 JI Annotated Anodyne CN(C)C(=O)C[S@](=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000066077346 JI Annotated Anodyne CCCCCN(C(=O)OC(C)(C)C)c1nc(Nc2ccccc2)c2ncn(CC(=O)O)c2n1 ZINC000066078144 JI Annotated Anodyne CN(C)CCNC(=O)C(CN)(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000066078685 JI Annotated Anodyne Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066079648 JI Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1/N=C(/Nc1ccc(Cl)c(Cl)c1)NC1C2CC3CC(C2)CC1C3 ZINC000066079792 JI Annotated Mild CS(=O)(=O)OCCc1c(OS(C)(=O)=O)nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000066097654 JI Annotated Mild CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)/C(=N/O)[C@H](C)CS4)c(N)cc2c1=O ZINC000066099398 JI Annotated Mild CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)/C(=N/O)[C@@H](C)CS4)c(N)cc2c1=O ZINC000066099400 JI Annotated Mild O=C(NCc1ccccc1Cl)[C@H](CCO)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000066099463 JI Annotated Anodyne O=C(NCc1ccccc1Cl)[C@@H](CCO)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000066099465 JI Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)/C(=N/OC)CCS4)c(N)cc2c1=O ZINC000066100119 JI Annotated Mild COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)c(CN)c1 ZINC000066100355 JI Annotated Anodyne COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)c(CN)c1 ZINC000066100356 JI Annotated Anodyne CO/N=C/c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)c(CN)c1 ZINC000066101095 JI Annotated Mild CO/N=C/c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)c(CN)c1 ZINC000066101098 JI Annotated Mild CCCC[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OC)nc21 ZINC000066101106 JI Annotated Anodyne COc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)(C)C ZINC000066101108 JI Annotated Anodyne CN(C)CCNc1c2c(c(NCCN(C)C)c3oc(C(C)(C)C)cc13)C(=O)c1ccccc1C2=O ZINC000066101167 JI Annotated Clean COc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)CC(C)C ZINC000066101848 JI Annotated Anodyne CCOc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)(C)C ZINC000066101880 JI Annotated Anodyne Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)oc12 ZINC000066102455 JI Annotated Mild Cc1ccc(-c2nc3c(N4CCN(C(=O)COc5ccc(Cl)cc5)CC4)nc(N)nc3s2)cc1 ZINC000066102553 JI Annotated Anodyne COc1ccc2c(c1)O[C@@]1(c3ccc(Br)cc3)[C@H](c3ccccc3)C[C@@H](O)[C@@]21O ZINC000066103553 JI Annotated Anodyne COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(S(C)(=O)=O)cc3)c2cc1OC ZINC000066105143 JI Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N/N=C\c3ccccc3)nc(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000066111471 JI Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N/N=C\c3ccccc3)nc(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000066111472 JI Annotated Mild O=C1c2ccccc2[C@@](OCC#CCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066111915 JI Annotated Mild O=C1c2ccccc2[C@](OCC#CCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066111916 JI Annotated Mild O=C(O)[C@H]1CCCN1Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1 ZINC000066111973 JI Annotated Anodyne O=C(O)[C@@H]1CCCN1Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1 ZINC000066111974 JI Annotated Anodyne COc1cc(OC)c2c(c1)O[C@@]1(c3ccc(Br)cc3)[C@H](c3ccccc3)C[C@H](O)[C@@]21O ZINC000066112114 JI Annotated Anodyne COc1cc(-c2nnc3n2CCCN3C(=O)[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066112254 JI Annotated Anodyne COc1cc(-c2nnc3n2CCCN3C(=O)[C@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066112255 JI Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)/C(=N/OC)[C@H](C)CS4)c(N)cc2c1=O ZINC000066112524 JI Annotated Mild CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)/C(=N/OC)[C@@H](C)CS4)c(N)cc2c1=O ZINC000066112525 JI Annotated Mild COC(=O)C1=C(C)[C@@H](O)[C@@H](C)[C@@](C)(c2cc(OC)c(C)c(OC)c2COc2ccccc2)O1 ZINC000066112545 JI Annotated Anodyne COC(=O)C1=C(C)[C@@H](O)[C@H](C)[C@@](C)(c2cc(OC)c(C)c(OC)c2COc2ccccc2)O1 ZINC000066112546 JI Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@@H](CCc2ccccc2)[C@@H](C(=O)NCCCOC(C)C)[C@@H]1C ZINC000066128980 JI Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@@H](CCc2ccccc2)[C@H](C(=O)NCCCOC(C)C)[C@@H]1C ZINC000066128982 JI Annotated Anodyne CCN(CC)CCC/N=C1\N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1CC ZINC000066136418 JI Annotated Mild Cc1cc2c(c(=O)o1)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3cc(C#N)ccc31)O2 ZINC000066136463 JI Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CCc2ccccn2)N[C@@H]1c1cccc(F)c1 ZINC000066136667 JI Annotated Mild CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(F)c(F)c2)n2c1Cc1ccccc1C2 ZINC000066156940 JI Annotated Anodyne Clc1ccccc1Nc1ncnc2c1nc1n2Cc2ccccc2N1CCN1CCOCC1 ZINC000066166099 JI Annotated Anodyne CC(=O)O[C@@H]1[C@H](Oc2c(O)c(C)c3c4c2[C@@H](C)CC[C@@H]4[C@@H](C)C[C@@H]3C=C(C)C)OC[C@@H](O)[C@@H]1O ZINC000066167142 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(OC(F)(F)F)c3)nc1)C2 ZINC000066167167 JI Annotated Bother CCN1C(C)=C(C(=O)OC)[C@@H](c2ccccc2)N/C1=N\CCc1ccc(Br)cc1 ZINC000066167203 JI Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000066251018 JI Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)O ZINC000066251019 JI Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC3=O)[C@@H](C)C(=O)O ZINC000066251022 JI Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC3=O)[C@H](C)C(=O)O ZINC000066251023 JI Annotated Mild CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)c4cc(C)on4)c3)nc2c2c1ncn2C ZINC000066251605 JI Annotated Anodyne CCCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(CCCCCC)S1(=O)=O ZINC000066251707 JI Annotated Bother COc1ccc(/C=N/N(C(=O)c2cccnc2)C(=O)c2ccccc2Br)cc1OC ZINC000066251866 JI Annotated Reactive CC(C)c1ccc(CN2CCC(N(C)C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252234 JI Annotated Anodyne CC(C)c1ccc(CN2CCC(N(C)C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252235 JI Annotated Anodyne CN(C[C@H](O)C1CCCCC1)N1C(=O)N(Cc2ccccc2)C(=O)[C@H]1CCCCCCC(=O)O ZINC000066252237 JI Annotated Anodyne CN(C[C@@H](O)C1CCCCC1)N1C(=O)N(Cc2ccccc2)C(=O)[C@H]1CCCCCCC(=O)O ZINC000066252238 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3Cl)nc1)C2 ZINC000066252283 JI Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(Cl)c3)nc1)C2 ZINC000066252284 JI Annotated Bother COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccccc43)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000066258292 JI Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000066258601 JI Annotated Bother O=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258761 JI Annotated Anodyne O=C(C[C@H](c1ccc(C(F)(F)F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258762 JI Annotated Anodyne COc1ccc(Nc2nn3c(-c4ccc(S(=O)(=O)c5ccccc5)cc4)nnc3s2)cc1 ZINC000066258837 JI Annotated Anodyne COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1)C2=O ZINC000066258881 JI Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OCc4ccccc4)nc3)c1)C2 ZINC000066258997 JI Annotated Bother CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)N1CCCC1)[C@@H](OC(=O)N1CCCC1)C(C)(C)O3 ZINC000066259062 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(F)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000066259238 JI Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Br ZINC000066259275 JI Annotated Reactive COc1cc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc(OC)c1OC ZINC000066259364 JI Annotated Anodyne CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)C4CCN(C)CC4)c3)nc2c2c1ncn2C ZINC000066259397 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(OC(F)(F)F)c3)cn1)C2 ZINC000066259508 JI Annotated Bother C[C@@H](NC(=O)N1C(=O)[C@@H](Cc2ccccc2)[C@H]1Oc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC000066259619 JI Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3Cl)cn1)C2 ZINC000066259857 JI Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(Cl)c3)cn1)C2 ZINC000066259858 JI Annotated Bother COc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000066259909 JI Annotated Anodyne CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1C2 ZINC000066260129 JI Annotated Anodyne COC(=O)c1coc(CN2CCN(C(=O)C[C@@H](c3ccc(Cl)cc3)c3cccc(F)c3)CC2)n1 ZINC000066262428 JI Annotated Anodyne COC(=O)c1coc(CN2CCN(C(=O)C[C@H](c3ccc(Cl)cc3)c3cccc(F)c3)CC2)n1 ZINC000066262430 JI Annotated Anodyne Cc1ccc2c(c1N1CCN(C)CC1)C(=O)C[C@H](C)N2S(=O)(=O)c1ccc2ccccc2c1 ZINC000066262566 JI Annotated Anodyne Cc1ccc2c(c1N1CCN(C)CC1)C(=O)C[C@@H](C)N2S(=O)(=O)c1ccc2ccccc2c1 ZINC000066262569 JI Annotated Anodyne Cc1cc(N2CCN(C)CC2)c2c(c1)N(S(=O)(=O)c1ccc3ccccc3c1)[C@H](C)CC2=O ZINC000066262572 JI Annotated Anodyne Cc1cc(N2CCN(C)CC2)c2c(c1)N(S(=O)(=O)c1ccc3ccccc3c1)[C@@H](C)CC2=O ZINC000066262575 JI Annotated Anodyne CCOC(=O)N1CCC(OCC(=O)Nc2ccc(-c3nc4cc(C#N)cc(C)c4o3)cc2)CC1 ZINC000066262744 JI Annotated Mild Cc1c(S(=O)(=O)N2CCC(=O)c3ccc(N4CCN(C)CC4)cc32)sc2ccc(Cl)cc12 ZINC000066263476 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OCc4ccccc4)nc3)cc1)C2 ZINC000066263495 JI Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(OCc3ccccc3)nc1)C2 ZINC000066263622 JI Annotated Bother COCCN/C=C1\C(=O)N(C)c2ccc(C(F)(F)F)cc2N(c2ccc(Cl)cc2)C1=O ZINC000066263837 JI Annotated Anodyne C=C1C[C@H]2O[C@H]([C@@H]3[C@@H]([C@@H](C)COC(=O)CCC)CC=C(C)[C@H]23)[C@](C)(OC(=O)[C@H](O)CC)CC[C@@H]1O ZINC000066264092 JI Annotated Mild C=C1C[C@H]2O[C@H]([C@@H]3[C@@H]([C@@H](C)CO)CCC(=C)[C@H]23)[C@](C)(OC(=O)[C@H](CC)OC(=O)CCC)CC[C@@H]1O ZINC000066264106 JI Annotated Mild C=C1C[C@H]2O[C@H]([C@@H]3[C@@H]([C@@H](C)CO)CCC(=C)[C@H]23)[C@](C)(OC(=O)[C@@H](CC)OC(=O)CCC)CC[C@@H]1O ZINC000066264107 JI Annotated Mild COCCOc1cnc2ccc([C@H](C)n3nnc4ccn(-c5cc(F)cc(F)c5)c(=O)c43)cc2c1 ZINC000068152018 JI Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)/N=c3\[nH]cc(CN(C)C)[nH]3)c3ncccc23)c1F ZINC000068152916 JI Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12 ZINC000068199774 JI Annotated Anodyne O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000068201701 JI Annotated Anodyne O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000068201703 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H](O)[C@@H]3c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000068205880 JI Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCNC(C)=O)sc2ccncc21 ZINC000068208110 JI Annotated Anodyne CCCCNC(=O)OC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O ZINC000068208482 JI Annotated Anodyne COc1cc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000068245719 JI Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)c1 ZINC000068245987 JI Annotated Anodyne CN1CCC(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 ZINC000068247678 JI Annotated Anodyne CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCCC(=O)O)C4)s2)cc1Cl ZINC000068247801 JI Annotated Anodyne CS(=O)(=O)c1cccc(-c2noc(-c3cnn(-c4ccccc4F)c3-c3ccncc3)n2)c1 ZINC000068248237 JI Annotated Anodyne O=C1OC[C@H](c2ccc(F)c(F)c2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000068250274 JI Annotated Anodyne O=C1OC[C@H](c2ccc(F)cc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000068250276 JI Annotated Anodyne CC(C)c1cc(C(F)(F)F)c2nc(C(=O)N3CCC(N4CCOC4=O)CC3)c(Cl)n2c1 ZINC000068266878 JI Annotated Anodyne COc1ccc(OC(F)(F)F)cc1Cn1c(C(=O)NCC(C)(C)CO)cc2cc(C#N)ccc21 ZINC000068267214 JI Annotated Mild Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc3occ(/C=C4/C(=O)NC(=O)N=C4O)c(=O)c3cc12 ZINC000069062016 JI Annotated Clean C[C@H]1C2=C3C=C[C@@H]4[C@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)CC[C@H]1CO ZINC000070451107 JI Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@@H]2C[C@@H](C)[C@]34C[C@]5(C(=O)O[C@H]6C[C@@]7(C)C(=C(C)CC[C@@H]7O)C[C@H]65)[C@H](C(C)=C3C[C@@H]12)[C@H]4O ZINC000070454013 JI Annotated Mild in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CC[C@H]4[C@@H](CN5C[C@@H](C)CC[C@@H]5[C@@]4(C)O)[C@@H]3C[C@@H]12 ZINC000070454887 JI Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@@H]3CC[C@H]4[C@@H](CN5C[C@@H](C)CC[C@@H]5[C@@]4(C)O)[C@@H]3C[C@@H]12 ZINC000070454888 JI Annotated Anodyne in-vitro biogenic Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3F)c3ccccc23)no1 ZINC000070461161 JI Annotated Anodyne COc1ccc(CNc2nc(N(CCN(C)C)Cc3ccccc3)nc3c2NCN3C(C)C)cc1 ZINC000070719185 JI Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(C)=O)[C@@H](C)[C@H](C)C2=O ZINC000071280475 JI Annotated Anodyne in-vitro Cc1[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c(C)c1C(=O)N1CCCC1 ZINC000071280980 JI Annotated Anodyne Cc1ccc(NC(=O)[C@H](CC2CCC(F)(F)CC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1 ZINC000071281082 JI Annotated Anodyne CC[C@@H]1[C@H]2c3c(n(C)c4ccccc4c3=O)OC(C)(C)[C@@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071281241 JI Annotated Mild CC[C@H]1[C@H]2c3c(n(C)c4ccccc4c3=O)OC(C)(C)[C@@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071281243 JI Annotated Mild CC(C)(C)OC(=O)n1cccc1-c1ccc2c(c1)n1ncc(C(=O)OCc3cccs3)c1n[n+]2[O-] ZINC000071281690 JI Annotated Anodyne Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(Cl)c(S(=O)(=O)C(C)C)cc2=O)nc1 ZINC000071282140 JI Annotated Anodyne CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)N1 ZINC000071282179 JI Annotated Anodyne CC[C@@H]1[C@@H]2c3c(c4ccccc4n(C)c3=O)OC(C)(C)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071282305 JI Annotated Mild CC[C@H]1[C@@H]2c3c(c4ccccc4n(C)c3=O)OC(C)(C)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071282308 JI Annotated Mild O=S(=O)(c1ccc(-c2cccnc2)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071294372 JI Annotated Clean O=S(=O)(c1ccc(-c2cccnc2)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071294373 JI Annotated Clean CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C(F)(F)F)cn2)c(=O)c1 ZINC000071294402 JI Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000071294590 JI Annotated Anodyne in-vitro COc1cc(Br)cc([C@H]2C3=C(COC3=O)Nc3c2ccc2ccc(O)cc32)c1O ZINC000071295122 JI Annotated Anodyne COc1cc(Br)cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2ccc(O)cc32)c1O ZINC000071295123 JI Annotated Anodyne N=C(NCc1ccccc1)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071295202 JI Annotated Bother Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C(C)C)c(Cl)c2=O)nc1 ZINC000071295419 JI Annotated Anodyne CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3cccc(Cl)c3Cl)c2)CC1 ZINC000071295676 JI Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@@H]2O ZINC000071295871 JI Annotated Anodyne in-vitro CNCCOc1ccc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000071296689 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@H](O)c3ccsc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071296771 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@@H](O)c3ccsc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071296772 JI Annotated Anodyne CON=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N[C@@H]2c1ccc(OC(C)=O)c(OC)c1 ZINC000071296989 JI Annotated Mild COc1ccc(C(F)(F)F)cc1Cn1c(C(=O)NCC2(CO)CC2)cc2cc(C#N)ccc21 ZINC000071316020 JI Annotated Mild O=C(O)CCNc1nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000071316136 JI Annotated Bother N#Cc1ccc2c(c1)cc(C(=O)NCCC1(O)CCC1)n2Cc1cccc(OC(F)(F)F)c1 ZINC000071316419 JI Annotated Mild COC(=O)[C@@H]1C[C@H]2c3c([nH]c4ccccc34)C[C@@H](C1=O)N2CC1=C(Cl)c2cc(F)ccc2OC1 ZINC000071316571 JI Annotated Anodyne COC(=O)[C@H]1C[C@H]2c3c([nH]c4ccccc34)C[C@@H](C1=O)N2CC1=C(Cl)c2cc(F)ccc2OC1 ZINC000071316572 JI Annotated Anodyne CNc1cc(C#N)cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1 ZINC000071316582 JI Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(F)cc2F)C(=N)[C@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N ZINC000071316627 JI Annotated Reactive CCOC(=O)C1=C(C)N(c2ccc(F)cc2F)C(=N)[C@@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N ZINC000071316628 JI Annotated Reactive CC(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 ZINC000071317409 JI Annotated Anodyne COc1c(N2CC[C@@H]([C@H](C)NCC3CC3)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000071317489 JI Annotated Anodyne COc1c(N2CC[C@@H]([C@@H](C)NCC3CC3)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000071317490 JI Annotated Anodyne COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2Br)cc1 ZINC000071317570 JI Annotated Mild COc1ccc(-c2cnc(N3CCN(C(=O)N4CC[C@H](c5cn[nH]c5)C4)c4ccccc43)nc2)cc1 ZINC000071318227 JI Annotated Anodyne COc1ccc(-c2cnc(N3CCN(C(=O)N4CC[C@@H](c5cn[nH]c5)C4)c4ccccc43)nc2)cc1 ZINC000071318228 JI Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(OC(F)(F)F)cc3)c3ccccc23)no1 ZINC000071318263 JI Annotated Anodyne O=C1c2ncc3c(c(COCCCc4ccccn4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071318712 JI Annotated Clean Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)no1 ZINC000071318724 JI Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@H]4C[C@H](O)CCO4)c(C)c3oc2=O)ccc1O ZINC000071318727 JI Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCN3CCCC3)[nH]c3ccc(Cl)c(F)c23)c1 ZINC000071318751 JI Annotated Anodyne COc1ccc(Br)cc1Cn1c(C(=O)NCC(C)(C)CO)cc2cc(C#N)ccc21 ZINC000071318884 JI Annotated Mild COc1c(N2CC[C@@H]([C@H](C)NC(C)C)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000071319403 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@H](O)c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329055 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@@H](O)c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329056 JI Annotated Anodyne COc1ccc([C@H]2CN(CCCN3CCCC3=O)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071329217 JI Annotated Anodyne O=C(Nc1nc(Nc2ccc(C(=O)O)cc2)c2cc([N+](=O)[O-])ccc2n1)NC1CCCCC1 ZINC000071329325 JI Annotated Bother COc1cc(-c2coc3cc4c(c(OC)c3c2=O)C=CC(C)(C)O4)ccc1OC[C@@H](O)C(C)(C)O ZINC000071329351 JI Annotated Anodyne in-vitro COc1ccc([C@H]2CN(CCC3(O)CCOCC3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071329525 JI Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@@H]4C[C@H](O)CCO4)c(C)c3oc2=O)ccc1O ZINC000071329767 JI Annotated Anodyne CC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 ZINC000071329816 JI Annotated Bother C=C1CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]1OO ZINC000071330035 JI Annotated Reactive COc1c(N2CC[C@@H](C(C)(C)NC3CC3)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000071330239 JI Annotated Anodyne COc1c(N2CC[C@H](C(C)(C)NC3CC3)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000071330241 JI Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(CO)[C@]23O)c(C)c1Cl ZINC000071330631 JI Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNCc2ccccc2)cn1 ZINC000071331679 JI Annotated Anodyne O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cncc(CO)c2)C[C@H]1c1ccccc1O ZINC000071331977 JI Annotated Clean O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cncc(CO)c2)C[C@@H]1c1ccccc1O ZINC000071331979 JI Annotated Clean N=C(N)NC(=N)Nc1cccc(SCc2cc(Br)cc(Br)c2)c1 ZINC000071332121 JI Annotated Anodyne COc1cc2c(c3c1c(=O)c1c4ccc(Br)cc4ccc1n3C)[C@@H](O)[C@@H](O)C(C)(C)O2 ZINC000071333733 JI Annotated Bother CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1coc2ccc(-c3ccccc3)cc2c1=O ZINC000071333819 JI Annotated Anodyne CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@H]1c1coc2ccc(-c3ccccc3)cc2c1=O ZINC000071333821 JI Annotated Anodyne N=C(N)NC(=N)Nc1ccc(SCc2cc(Br)cc(Br)c2)cc1 ZINC000071333901 JI Annotated Anodyne CC[C@H](C)[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C)c(OC[C@H](C)n3cccn3)cc(C#N)c21 ZINC000071334313 JI Annotated Mild CC(C)(CN1CCCC1)n1cnc(NC(=O)[C@@H](NC(=O)Cc2cc(F)cc(F)c2)c2ccccc2)c1 ZINC000071340430 JI Annotated Anodyne O=C(NOCc1ccc(F)cc1)c1[nH]c(Br)c(Br)c1Br ZINC000071341489 JI Annotated Anodyne O[C@@H]1C[N+]2(Cc3ccc(/C=C/c4ccc(C[N+]56CCC(CC5)[C@H](O)C6)cc4)cc3)CCC1CC2 ZINC000071341796 JI Annotated Bother O[C@@H]1C[N+]2(Cc3ccc(/C=C/c4ccc(C[N+]56CCC(CC5)[C@@H](O)C6)cc4)cc3)CCC1CC2 ZINC000071341797 JI Annotated Bother O[C@H]1C[N+]2(Cc3ccc(/C=C/c4ccc(C[N+]56CCC(CC5)[C@@H](O)C6)cc4)cc3)CCC1CC2 ZINC000071341798 JI Annotated Bother O=C(NOCc1ccc(Br)cc1)c1cc(Br)c(Br)[nH]1 ZINC000071341901 JI Annotated Anodyne CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNC(C)C)cn1 ZINC000071341970 JI Annotated Anodyne CCOCCOc1cc(-c2ccccc2)ccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000071405086 JI Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4cc(Br)ccc4cc1n3C)[C@@H](O)[C@@H](O)C(C)(C)O2 ZINC000071418571 JI Annotated Bother O=C(O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1 ZINC000071789104 JI Annotated Bother in-vitro COc1ccc(-c2cc(C(=O)N3CC=C(c4ccccc4)CC3)no2)cc1S(=O)(=O)N1CCCC1 ZINC000071928024 JI Annotated Anodyne O=S(=O)(C1CCCCC1)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101046 JI Annotated Anodyne O=S(=O)(C1CCCCC1)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101047 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCN([C@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072101235 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072101236 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101448 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101449 JI Annotated Anodyne Cc1cc(C(=O)N2CCC(N[C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C)n1 ZINC000072101507 JI Annotated Anodyne Cc1cc(C(=O)N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C)n1 ZINC000072101508 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(N[C@H](c3cnccn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072101774 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(N[C@@H](c3cnccn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072101775 JI Annotated Anodyne COc1cc(CN(C)Cc2coc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC ZINC000072101818 JI Annotated Anodyne COc1cccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000072102005 JI Annotated Anodyne COc1cccc([C@H](c2nnnn2C2CCCC2)N2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000072102006 JI Annotated Anodyne Cc1cc(C(=O)NC2CCN([C@@H](c3ccc(C#N)cc3)c3cccnc3)CC2)n(C(C)(C)C)n1 ZINC000072102092 JI Annotated Mild Cc1cc(C(=O)NC2CCN([C@H](c3ccc(C#N)cc3)c3cccnc3)CC2)n(C(C)(C)C)n1 ZINC000072102093 JI Annotated Mild O=S(=O)(Cc1ccccc1)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072102735 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072102736 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](c3ccc(Cl)cc3)c3cncnc3)CC2)cc1 ZINC000072102737 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCN([C@H](c3ccc(Cl)cc3)c3cncnc3)CC2)cc1 ZINC000072102738 JI Annotated Anodyne CSCC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072103762 JI Annotated Anodyne CSCC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072103763 JI Annotated Anodyne O=S1(=O)c2c(F)cccc2O[C@H](COCc2ccccc2)CN1CCc1ccc(F)cc1 ZINC000072104310 JI Annotated Anodyne Cc1ccsc1C(=O)NC(=S)Nc1cc2[nH]c(=O)cnc2cc1N(C)C1CCCCC1 ZINC000072106207 JI Annotated Anodyne Cc1cccc(C(C)(C)C)c1NC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072106259 JI Annotated Anodyne COc1cc(C(=O)c2cc3ccc(F)cc3n2S(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000072106471 JI Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)/C=C/c1ccccc1)C1CCCCC1 ZINC000072106819 JI Annotated Anodyne COc1ccc(S(=O)(=O)n2cc(C(=O)c3ccc(F)cc3)nc2-c2ccc(N(C)C)cc2)cc1 ZINC000072106988 JI Annotated Clean CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1 ZINC000072107169 JI Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1 ZINC000072107170 JI Annotated Anodyne C=C1CC[C@H]2[C@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000072107936 JI Annotated Mild O=c1[nH]c2cc(CNS(=O)(=O)c3cccc4ccccc34)ccc2n1-c1cc(Cl)c(O)cc1O ZINC000072108066 JI Annotated Anodyne C/C1=C/C[C@H]2[C@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000072109356 JI Annotated Mild N#CC1(c2cc(-c3ccccc3)ccn2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000072109367 JI Annotated Mild COc1cc(-c2[nH]c(=O)c3[nH]c4cc(O)c(OC)cc4c3c2-c2ccc(O)c(OC)c2)ccc1O ZINC000072111379 JI Annotated Anodyne COc1cc(-c2[nH]c(=O)c3[nH]c4cc(OC)c(O)cc4c3c2-c2ccc(O)c(OC)c2)ccc1O ZINC000072111380 JI Annotated Anodyne N/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(/N)c4ccccn4)nc3)o2)cn1)c1ccccn1 ZINC000072111386 JI Annotated Mild CC[C@@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OCc5ccccc5)nn4C)[nH]c3C2=N1 ZINC000072111501 JI Annotated Anodyne CC[C@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OCc5ccccc5)nn4C)[nH]c3C2=N1 ZINC000072111502 JI Annotated Anodyne N#Cc1ccc(COc2ccc3cc(S(=O)(=O)N[C@H]4CCCC[C@H]4C(=O)O)ccc3c2)c(F)c1 ZINC000072112171 JI Annotated Mild N#Cc1ccc(COc2ccc3cc(S(=O)(=O)N[C@@H]4CCCC[C@H]4C(=O)O)ccc3c2)c(F)c1 ZINC000072112172 JI Annotated Mild COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(P(=O)(OC)OC)CCN1C3 ZINC000072112484 JI Annotated Bother O=C1[C@@H]2[C@H](C(=O)N1CCc1ccccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000072113010 JI Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1CCc1ccccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000072113011 JI Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc4c3=c3ccccc3=4)cc21 ZINC000072113570 JI Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc4c3=c3ccccc3=4)cc21 ZINC000072113571 JI Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cncn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113818 JI Annotated Anodyne COc1cc(OC)cc(-c2ccc3c(c2)[C@H](CC(=O)OCC2CC2)C(C(=O)OCC2CC2)=C(N)O3)c1 ZINC000072113858 JI Annotated Anodyne COc1cc(OC)cc(-c2ccc3c(c2)[C@@H](CC(=O)OCC2CC2)C(C(=O)OCC2CC2)=C(N)O3)c1 ZINC000072113859 JI Annotated Anodyne CCC1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1C(=O)NCC(=O)N1CCOCC1 ZINC000072114495 JI Annotated Anodyne CCC1=N[C@@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1C(=O)NCC(=O)N1CCOCC1 ZINC000072114496 JI Annotated Anodyne CCC1=N[C@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)NCC(=O)N1CCOCC1 ZINC000072114497 JI Annotated Anodyne CCC1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)NCC(=O)N1CCOCC1 ZINC000072114498 JI Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cncn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCN(C)CC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072114508 JI Annotated Anodyne CCCOC(=O)C[C@H]1C(C(=O)OCCC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072114727 JI Annotated Anodyne CCCOC(=O)C[C@@H]1C(C(=O)OCCC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072114728 JI Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000072114900 JI Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000072114901 JI Annotated Anodyne O=S(=O)(c1ccccc1-c1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1)N1CCCCC1 ZINC000072114924 JI Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2ccnn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072115053 JI Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2ccnn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCN(C)CC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072116505 JI Annotated Anodyne O=C1OCC(c2cccs2)=C1c1ccc(OC[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000072116532 JI Annotated Anodyne O=C1OCC(c2cccs2)=C1c1ccc(OC[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000072116533 JI Annotated Anodyne CC[C@@H](c1nc2ccsc2c(=O)n1Cc1cc(C)on1)N(CCCN)C(=O)c1ccc(C)cc1 ZINC000072116699 JI Annotated Anodyne CC[C@H](c1nc2ccsc2c(=O)n1Cc1cc(C)on1)N(CCCN)C(=O)c1ccc(C)cc1 ZINC000072116700 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3ccncc3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116920 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3ccncc3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116921 JI Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072116960 JI Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072116961 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccnc3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072118014 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccnc3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072118015 JI Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccccc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000072118050 JI Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000072118051 JI Annotated Anodyne COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072118390 JI Annotated Anodyne COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072118391 JI Annotated Anodyne COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072118392 JI Annotated Anodyne COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072118393 JI Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1 ZINC000072118533 JI Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1 ZINC000072118534 JI Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1 ZINC000072118535 JI Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1 ZINC000072118536 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3ccccn3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072118601 JI Annotated Anodyne CCc1cc(=O)c2ccc(OCc3ccccn3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072118602 JI Annotated Anodyne CCOC(=O)c1ccc(CN2CC(C)(C)[C@H](Oc3ccc(C#N)c(C(F)(F)F)c3)C2=O)o1 ZINC000072118983 JI Annotated Mild CCOC(=O)c1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(C(F)(F)F)c3)C2=O)o1 ZINC000072118984 JI Annotated Mild C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=S)Nc1ccc(C#N)cc1 ZINC000072119976 JI Annotated Mild CC1(C)CN(Cc2nc(-c3ccccc3)no2)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000072120092 JI Annotated Mild CC1(C)CN(Cc2nc(-c3ccccc3)no2)C(=O)[C@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000072120093 JI Annotated Mild Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2O[C@@H]3c2ccc(C)o2)c1 ZINC000072120152 JI Annotated Anodyne Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2O[C@H]3c2ccc(C)o2)c1 ZINC000072120153 JI Annotated Anodyne CCN1C(NCCc2ccc(Br)cc2)=N[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000072120496 JI Annotated Anodyne CCN1C(NCCc2ccc(Br)cc2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000072120497 JI Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000072120523 JI Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000072120525 JI Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(Cl)o1)Nc1ccccc1-3 ZINC000072120576 JI Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(Cl)o1)Nc1ccccc1-3 ZINC000072120577 JI Annotated Anodyne Cc1ccc([C@@H]2c3c4c(c(-c5ccccc5)n3-c3ccccc3N2C)c(=O)n(C)c(=O)n4C)o1 ZINC000072120613 JI Annotated Anodyne Cc1ccc([C@H]2c3c4c(c(-c5ccccc5)n3-c3ccccc3N2C)c(=O)n(C)c(=O)n4C)o1 ZINC000072120614 JI Annotated Anodyne CCc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 ZINC000072120615 JI Annotated Anodyne CCc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 ZINC000072120616 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 ZINC000072122761 JI Annotated Mild COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 ZINC000072122770 JI Annotated Reactive COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 ZINC000072122771 JI Annotated Reactive O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1nc3ccccc3[nH]1)C2 ZINC000072122934 JI Annotated Anodyne CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(Br)cc43)s2)[C@H](c2ccccc2)NC(=O)N1 ZINC000072122967 JI Annotated Mild CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(Br)cc43)s2)[C@@H](c2ccccc2)NC(=O)N1 ZINC000072122968 JI Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1cccc(-c3ccc(OC(F)(F)F)cc3)c1)C2 ZINC000072123333 JI Annotated Mild CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(Cl)cc43)s2)[C@H](c2ccccc2)NC(=O)N1 ZINC000072123399 JI Annotated Mild CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(Cl)cc43)s2)[C@@H](c2ccccc2)NC(=O)N1 ZINC000072123400 JI Annotated Mild CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCC[C@H](F)C4)n3)cc2)C1=O ZINC000072123566 JI Annotated Anodyne CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCC[C@@H](F)C4)n3)cc2)C1=O ZINC000072123567 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 ZINC000072124537 JI Annotated Bother CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCC(F)(F)C4)n3)cc2)C1=O ZINC000072124709 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccc(F)cc1)C2 ZINC000072124720 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccc(F)cc1)C2 ZINC000072124721 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCC#Cc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2 ZINC000072124854 JI Annotated Mild O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1CC1CCC1 ZINC000072124965 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccccc1F)C2 ZINC000072124987 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccccc1F)C2 ZINC000072124988 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1cccc(F)c1)C2 ZINC000072125066 JI Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1cccc(F)c1)C2 ZINC000072125067 JI Annotated Anodyne CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)[C@@H](O)CO)c(C)c1 ZINC000072125120 JI Annotated Anodyne CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@H](CO)[C@H](O)CO)c(C)c1 ZINC000072125121 JI Annotated Anodyne COc1c(NCCNc2cccc3ccccc23)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000072125772 JI Annotated Anodyne CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(Cl)cc43)s2)[C@H](c2ccccc2)NC(=S)N1 ZINC000072126229 JI Annotated Mild CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(Cl)cc43)s2)[C@@H](c2ccccc2)NC(=S)N1 ZINC000072126230 JI Annotated Mild COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072129970 JI Annotated Anodyne COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072129971 JI Annotated Anodyne COC(=O)c1ccccc1C[C@@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000072134106 JI Annotated Anodyne COC(=O)c1ccccc1C[C@@]1(C(=O)OC)C=C[C@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000072134107 JI Annotated Anodyne COC(=O)c1ccccc1C[C@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000072134108 JI Annotated Anodyne CN1OC[C@@H]2CN(C(=S)NCCc3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000072134114 JI Annotated Clean CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 ZINC000072134153 JI Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 ZINC000072134154 JI Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1 ZINC000072134182 JI Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1 ZINC000072134183 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 ZINC000072136555 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 ZINC000072136556 JI Annotated Anodyne CC(C)(C)OC(=O)N(CC1CCNCC1)C(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000072136747 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)CN(C(=S)NCCc2ccccc2)Cc2cnnn2-3)cc1 ZINC000072136757 JI Annotated Anodyne COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Br)cc3)C[C@H]2CSC)cc1 ZINC000072136771 JI Annotated Anodyne COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Br)cc3)C[C@H]2CSC)cc1 ZINC000072136772 JI Annotated Anodyne COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Br)cc3)C[C@@H]2CSC)cc1 ZINC000072136773 JI Annotated Anodyne CN1OC[C@@H]2CN(C(=S)NCCc3ccccc3)[C@H](c3ccccc3Br)C[C@@H]21 ZINC000072137589 JI Annotated Anodyne CC[C@@H](C)[C@@H](C(=O)OC)N1Cc2ccccc2Oc2cc(Br)ccc2S1(=O)=O ZINC000072137698 JI Annotated Anodyne CC[C@H](C)[C@@H](C(=O)OC)N1Cc2ccccc2Oc2cc(Br)ccc2S1(=O)=O ZINC000072137699 JI Annotated Anodyne CC[C@@H](C)[C@H](C(=O)OC)N1Cc2ccccc2Oc2cc(Br)ccc2S1(=O)=O ZINC000072137700 JI Annotated Anodyne CC[C@H](C)[C@H](C(=O)OC)N1Cc2ccccc2Oc2cc(Br)ccc2S1(=O)=O ZINC000072137701 JI Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000072137733 JI Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000072137734 JI Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072137873 JI Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072137874 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccccc1 ZINC000072137992 JI Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 ZINC000072137993 JI Annotated Anodyne COc1ccc(-n2nnnc2[C@@H](c2cccs2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072138368 JI Annotated Anodyne COc1ccc(-n2nnnc2[C@H](c2cccs2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072138369 JI Annotated Anodyne COc1ccc(CN2C[C@H](COCc3ccccc3)Oc3cccc(F)c3S2(=O)=O)cc1 ZINC000072138429 JI Annotated Anodyne COc1ccc(CN2C[C@@H](COCc3ccccc3)Oc3cccc(F)c3S2(=O)=O)cc1 ZINC000072138430 JI Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072138459 JI Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072138460 JI Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000072138461 JI Annotated Anodyne C[C@@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(S(=O)(=O)c1ccc(Cl)c2nonc12)CC3 ZINC000072138521 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139391 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccnc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139392 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 ZINC000072139407 JI Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1cccc(Br)c1 ZINC000072139408 JI Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccnc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139520 JI Annotated Anodyne CCCCn1nnnc1[C@H](c1ccnc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139521 JI Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1CCC1=CCCCC1 ZINC000072139801 JI Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1CCC1=CCCCC1 ZINC000072139802 JI Annotated Anodyne O=C(CN(C(=O)c1ccc(-c2ccccn2)cc1)[C@@H]1CCCOC1)Nc1cc(F)cc(F)c1 ZINC000072140819 JI Annotated Anodyne O=C(CN(C(=O)c1ccc(-c2ccccn2)cc1)[C@H]1CCCOC1)Nc1cc(F)cc(F)c1 ZINC000072140820 JI Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000072140882 JI Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccccc1 ZINC000072141302 JI Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccccc1 ZINC000072141303 JI Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(F)(F)F)c3c2)c1F ZINC000072141459 JI Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H](n1cnc3c(Cl)nc(F)nc31)O2 ZINC000072142621 JI Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072142888 JI Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072142889 JI Annotated Anodyne CCCN(CCC)c1cc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2cc1NC(C)=O ZINC000072170701 JI Annotated Anodyne CCCN(CCC)c1cc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2cc1NC(C)=O ZINC000072170702 JI Annotated Anodyne C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc([N+](=O)[O-])cc2)O1 ZINC000072170823 JI Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc([N+](=O)[O-])cc2)O1 ZINC000072170824 JI Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072170905 JI Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072170906 JI Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072170931 JI Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072170932 JI Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc(F)cc2)O1 ZINC000072170943 JI Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc(F)cc2)O1 ZINC000072170944 JI Annotated Mild Cc1cccc(C)c1-c1noc(C)c1CC(=O)NCc1cccc(OCCOCC(F)(F)F)n1 ZINC000072171854 JI Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(N)=O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171891 JI Annotated Anodyne O=c1c(Br)c(OCc2ccc(F)cc2F)cc(CO)n1-c1c(F)cccc1F ZINC000072171954 JI Annotated Anodyne CCCN(CCC)c1cc2nc([S@@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1NC(=O)C1CC1 ZINC000072173219 JI Annotated Anodyne CCCN(CCC)c1cc2nc([S@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1NC(=O)C1CC1 ZINC000072173220 JI Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(N)=O)N(C(=O)[C@@H](N)Cc3ccccc3)[C@H]1Nc1ccccc12 ZINC000072173319 JI Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(N)=O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072173391 JI Annotated Anodyne CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3cc(C(=O)N(C)C)ccc3Cl)sc1-2 ZINC000072173522 JI Annotated Anodyne CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccc(C(=O)N(C)C)cc3Cl)sc1-2 ZINC000072173581 JI Annotated Anodyne COc1c(C)cnc(C[S@@](=O)c2nc3cc(N4CCCCC4)c(NC(=O)C4CC4)cc3[nH]2)c1C ZINC000072173631 JI Annotated Anodyne COc1c(C)cnc(C[S@](=O)c2nc3cc(N4CCCCC4)c(NC(=O)C4CC4)cc3[nH]2)c1C ZINC000072173632 JI Annotated Anodyne O=C(O)CCNc1sc2c(c1Cc1nnc(S)n1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000072174936 JI Annotated Anodyne COc1ccc(-c2cc(-c3c[nH]c4c(OC)c(OC)c(OC)cc34)nc(N)c2C#N)c(OC)c1OC ZINC000072175558 JI Annotated Mild Cc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)n1Cc1cn(-c2ccccc2)nn1 ZINC000072175779 JI Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2c(F)cccc2F)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176056 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2c(F)cccc2F)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176057 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2ccccc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176136 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2ccccc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176137 JI Annotated Mild CCc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000072176452 JI Annotated Bother C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2ccc(F)cc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176677 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2ccc(F)cc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176678 JI Annotated Mild O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000072176986 JI Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000072176987 JI Annotated Anodyne CC(=O)OCC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000072177395 JI Annotated Reactive Cc1ccc([C@@H]2C[C@@]3(ON2c2ccccc2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1 ZINC000072177439 JI Annotated Mild Cc1ccc([C@H]2C[C@@]3(ON2c2ccccc2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1 ZINC000072177440 JI Annotated Mild Cc1ccccc1[C@@H]1C[C@@]2(ON1c1ccccc1)C(=O)O[C@@H]1[C@H]2CC[C@H](C)[C@]2(O)C=CC(=O)[C@@]12C ZINC000072177441 JI Annotated Mild Cc1ccccc1[C@H]1C[C@@]2(ON1c1ccccc1)C(=O)O[C@@H]1[C@H]2CC[C@H](C)[C@]2(O)C=CC(=O)[C@@]12C ZINC000072177442 JI Annotated Mild COc1cccc([C@H]2C[C@@]3(ON2c2ccccc2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)c1 ZINC000072177923 JI Annotated Mild COc1cccc([C@@H]2C[C@@]3(ON2c2ccccc2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)c1 ZINC000072177924 JI Annotated Mild CC[C@@H](C)C(=O)C1=C2O[C@H](C(C)(C)O)C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@](C)(O)C1=O ZINC000072177969 JI Annotated Mild CC[C@H](C)C(=O)C1=C2O[C@H](C(C)(C)O)C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@](C)(O)C1=O ZINC000072177970 JI Annotated Mild COc1ccc([C@H]2C[C@@]3(ON2c2ccccc2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1 ZINC000072178247 JI Annotated Mild COc1ccc([C@@H]2C[C@@]3(ON2c2ccccc2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1 ZINC000072178248 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2ccccc2F)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178331 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2ccccc2F)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178332 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2ccc(C#N)cc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178333 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2ccc(C#N)cc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178334 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2cccc(F)c2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178397 JI Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2cccc(F)c2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178398 JI Annotated Mild C[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)c(Br)c1 ZINC000072178558 JI Annotated Reactive C[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)c(Br)c1 ZINC000072178559 JI Annotated Reactive CCn1cc(-c2nnc(S)n2/N=C/c2ccc(C(F)(F)F)cc2)c(=O)c2ccc(C)nc21 ZINC000072178598 JI Annotated Mild CCn1cc(-c2nnc(S)n2/N=C/c2c(Cl)cccc2Cl)c(=O)c2ccc(C)nc21 ZINC000072178606 JI Annotated Mild CCn1cc(-c2nnc(S)n2/N=C/c2ccc(Cl)cc2Cl)c(=O)c2ccc(C)nc21 ZINC000072178782 JI Annotated Mild O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072178873 JI Annotated Anodyne CC[C@@H](C)C(=O)C1=C2OC(C)(C)[C@@H](O)C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@](C)(O)C1=O ZINC000072178930 JI Annotated Mild CC[C@H](C)C(=O)C1=C2OC(C)(C)[C@@H](O)C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@](C)(O)C1=O ZINC000072178931 JI Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F ZINC000072179420 JI Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)c(Oc3ccccc3)c1)C2 ZINC000072179666 JI Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1Oc1ccccc1)C2 ZINC000072179904 JI Annotated Bother N#Cc1ccccc1COc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N ZINC000072180076 JI Annotated Mild COc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2-c1ccccc1 ZINC000072180193 JI Annotated Anodyne O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(-c3nnn(Cc4cccc(Cl)c4)n3)c2)c1 ZINC000072180327 JI Annotated Bother COc1cc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2cn1 ZINC000072180334 JI Annotated Anodyne CCCC[C@@H](CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O)OC(C)=O ZINC000072180389 JI Annotated Mild CCCC[C@H](CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O)OC(C)=O ZINC000072180390 JI Annotated Mild O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3cccnc3)nn2)c1 ZINC000072180435 JI Annotated Anodyne O=C1CSc2ccccc2N1Cc1nn(CN2CCCCC2)c(=S)n1/N=C/c1ccccc1 ZINC000072180592 JI Annotated Mild O[C@H](CNCCNCc1ccncc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180612 JI Annotated Anodyne O[C@@H](CNCCNCc1ccncc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180613 JI Annotated Anodyne COC(=O)C[C@@H]1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1 ZINC000072180693 JI Annotated Anodyne COC(=O)C[C@H]1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1 ZINC000072180694 JI Annotated Anodyne COc1cccc(/C=C/S(=O)(=O)Nc2cccc(-c3nnn(Cc4cccc(Cl)c4)n3)c2)c1 ZINC000072180908 JI Annotated Anodyne CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3cccc(Cl)c3)c2C)cc1 ZINC000072181691 JI Annotated Anodyne CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3cccc(Cl)c3)c2C)cc1 ZINC000072181692 JI Annotated Anodyne O=C(c1ccccc1Cl)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072181737 JI Annotated Bother O=C(c1cccc(Cl)c1)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072181738 JI Annotated Bother O=C(c1ccc(Cl)cc1)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072181739 JI Annotated Bother O=C(Cn1c(=O)ccc2cc(C(F)(F)F)ccc21)Nc1scc(Br)c1-c1ncn[nH]1 ZINC000072181755 JI Annotated Anodyne COc1ccc2c(n1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2-c1ccccc1 ZINC000072181791 JI Annotated Anodyne C[C@@H](CCN1CCOCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182031 JI Annotated Anodyne C[C@H](CCN1CCOCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182032 JI Annotated Anodyne C[C@@H](CCN1CCOCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182033 JI Annotated Anodyne C[C@H](CCN1CCOCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182034 JI Annotated Anodyne CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 ZINC000072182499 JI Annotated Anodyne O=C(OC1=CC(=O)N(C(=O)OCc2ccccc2)[C@@H]1COCc1ccccc1)c1ccccc1 ZINC000072183790 JI Annotated Anodyne O=C(OC1=CC(=O)N(C(=O)OCc2ccccc2)[C@H]1COCc1ccccc1)c1ccccc1 ZINC000072183791 JI Annotated Anodyne O=S(=O)(NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)C1CCCCC1 ZINC000072184528 JI Annotated Anodyne O=S(=O)(NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)C1CCCCC1 ZINC000072184529 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)NC2CCN([C@H](c3cnccn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072185353 JI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)NC2CCN([C@@H](c3cnccn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072185354 JI Annotated Anodyne Cc1n[nH]c(C)c1C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185742 JI Annotated Anodyne Cc1n[nH]c(C)c1C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185743 JI Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5ccc(Cl)s5)cc4s3)o2)CC1 ZINC000072315521 JI Annotated Mild CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnn(C)c5)ccn34)c12 ZINC000072315536 JI Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000072316088 JI Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000072316089 JI Annotated Anodyne Cc1cn2cc(CC(=O)N3CCC4(CC3)CN([C@@H]3CCc5cc(-c6ncccn6)ccc53)C4)nc2s1 ZINC000072317085 JI Annotated Anodyne Cc1cc(C(=O)NN2CCOCC2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 ZINC000072317602 JI Annotated Anodyne CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1 ZINC000072318446 JI Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000072322901 JI Annotated Mild O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(Cl)c12)C1CC1 ZINC000073138640 JI Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)NC(=O)N1S(=O)(=O)c1ccc(NC(=O)c2ccc(N)cc2)c(Cl)c1 ZINC000073139253 JI Annotated Anodyne C[C@H]1[C@H](c2ccccc2)NC(=O)N1S(=O)(=O)c1ccc(NC(=O)c2ccc(N)cc2)c(Cl)c1 ZINC000073139256 JI Annotated Anodyne Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc3occ(/C=C4/C(=O)NC(=S)N=C4O)c(=O)c3cc12 ZINC000073140108 JI Annotated Clean COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccncc3)[C@@H]1C2 ZINC000073140190 JI Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccncc3)[C@@H]1C2 ZINC000073140195 JI Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccncc3)[C@H]1C2 ZINC000073140198 JI Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccncc3)[C@H]1C2 ZINC000073140201 JI Annotated Bother O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1ccccc1O ZINC000073140264 JI Annotated Reactive N#Cc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc5ccccc5c4)c3c2=O)cc1 ZINC000073140268 JI Annotated Reactive CC(=O)Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(O)nc3c2=O)cc1 ZINC000073140847 JI Annotated Anodyne CC(=O)N(O)CCCP(=O)(O[C@@H](C)OC(=O)OC(C)(C)C)O[C@@H](C)OC(=O)OC(C)(C)C ZINC000073141983 JI Annotated Anodyne CC(=O)N(O)CCCP(=O)(O[C@@H](C)OC(=O)OC(C)(C)C)O[C@H](C)OC(=O)OC(C)(C)C ZINC000073141986 JI Annotated Anodyne CC(=O)N(O)CCCP(=O)(O[C@H](C)OC(=O)OC(C)(C)C)O[C@H](C)OC(=O)OC(C)(C)C ZINC000073141988 JI Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000073142271 JI Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000073142273 JI Annotated Anodyne N#Cc1cc(Cl)cc(Oc2ccc(Cl)cc2OCCn2cc(Cl)c(=O)[nH]c2=O)c1 ZINC000073156487 JI Annotated Mild O=C(CSc1nnc(-c2ccc(NC(=S)NCCO)cc2)o1)c1ccc(Cl)cc1Cl ZINC000073159763 JI Annotated Anodyne COc1c(Br)cc(Br)c(CCNCCCN(C)C)c1Br ZINC000073159967 JI Annotated Anodyne Cc1cc(/C=C2\NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 ZINC000073162641 JI Annotated Clean O=C1N[C@@H](c2cccc3ccccc23)C(=O)N1CCCN1C(=O)N[C@H](c2cccc3ccccc23)C1=O ZINC000073163653 JI Annotated Anodyne O=C1N[C@@H](c2cccc3ccccc23)C(=O)N1CCCN1C(=O)N[C@@H](c2cccc3ccccc23)C1=O ZINC000073163657 JI Annotated Anodyne O=C1N[C@H](c2cccc3ccccc23)C(=O)N1CCCN1C(=O)N[C@H](c2cccc3ccccc23)C1=O ZINC000073163660 JI Annotated Anodyne CN1CCc2nc(C(=O)Nc3cc(C(=O)O)ccc3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000073163704 JI Annotated Anodyne O=C(CSc1nnc(-c2cccc(NC(=S)NCCO)c2)o1)c1ccc(Cl)cc1Cl ZINC000073164118 JI Annotated Anodyne Cc1cc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 ZINC000073165287 JI Annotated Clean O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)NC1C2CC3CC(C2)CC1C3 ZINC000073165506 JI Annotated Bother Cc1cc(OCCN2CCOCC2)ccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] ZINC000073168891 JI Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C ZINC000073169348 JI Annotated Mild Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(Nc2cc3c(O)n[nH]c(=O)c3cc2Cl)c1 ZINC000073169428 JI Annotated Anodyne O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000073170121 JI Annotated Reactive Cc1cc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 ZINC000073195839 JI Annotated Clean COc1cc2c(CN3C(=O)CSC3=O)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC ZINC000073195907 JI Annotated Anodyne CCNC(=O)N1CCc2c(sc(NC(=O)Cc3cccs3)c2C(=O)OC2CCCC2)C1 ZINC000073196356 JI Annotated Anodyne CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000073196729 JI Annotated Reactive O=C(/N=C/c1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCCCC1 ZINC000073196845 JI Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(NC(=O)COCc3c(-c4ccccc4)no[n+]3[O-])cc2)cc1 ZINC000073197124 JI Annotated Mild CC(C)(C)c1nc2cc(S(=O)(=O)CCCC(F)(F)F)ccc2n1CC1CCN(C=O)CC1 ZINC000073197166 JI Annotated Anodyne CCOC(=O)Nc1cc(NCCN(CC)CC)c2nc(-c3ccco3)c(-c3ccco3)nc2n1 ZINC000073197289 JI Annotated Anodyne CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000073197290 JI Annotated Anodyne CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3cccs3)c(-c3cccs3)nc2n1 ZINC000073197291 JI Annotated Anodyne CN1CCC2(CC1)C(=O)Nc1cc(-c3ccc4[n+](n3)[C@H](Cc3ccc5ncccc5c3)N=N4)ccc12 ZINC000073197879 JI Annotated Anodyne CN1CCC2(CC1)C(=O)Nc1cc(-c3ccc4[n+](n3)[C@@H](Cc3ccc5ncccc5c3)N=N4)ccc12 ZINC000073197880 JI Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000073197912 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000073197926 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000073197927 JI Annotated Anodyne COc1cc2c(cc1OCCCN1c3cccc4cccc(c34)S1(=O)=O)N=C[C@@H]1CCCN1C2=O ZINC000073198587 JI Annotated Anodyne O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)OCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000073198635 JI Annotated Bother COc1cc(/C=C2\CCCN3C2=NO[C@@]3(c2ccc(F)cc2)[C@@H](C)O)ccc1-n1cnc(C)c1 ZINC000073198646 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]3(c2ccc(F)cc2)[C@H](C)O)ccc1-n1cnc(C)c1 ZINC000073198647 JI Annotated Anodyne O=C(NCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073198816 JI Annotated Bother CNC[C@]1(c2ccc(F)cc2)ON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21 ZINC000073199029 JI Annotated Anodyne N#CC(/C(O)=N/c1ccc(Cl)cc1)=c1/s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1 ZINC000073199788 JI Annotated Mild CN1CCN(CCC(=O)O[C@@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200192 JI Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200193 JI Annotated Anodyne CN1CCN(CCC(=O)O[C@@H]2CC3(N(C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200194 JI Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000073218901 JI Annotated Bother CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000073218903 JI Annotated Bother CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3Cl)c(C(N)=O)c2C1 ZINC000073219183 JI Annotated Anodyne Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C ZINC000073219215 JI Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(C(=O)CNc2ccc(Cl)cc2)c2ccccc12 ZINC000073220133 JI Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(C(=O)CNc2ccc(Cl)cc2)c2ccccc12 ZINC000073220136 JI Annotated Anodyne CC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)c3ccc4c(c3)OCO4)ccc2O1 ZINC000073220330 JI Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(C#N)cc3)ccc2N(C)S(C)(=O)=O)c1 ZINC000073220982 JI Annotated Mild CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCNC(=O)CC(C)C)cc1 ZINC000073221671 JI Annotated Mild CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCNC(=O)CC(C)C)cc1 ZINC000073221673 JI Annotated Mild CC(=O)C1=NN(c2ccccc2)[C@@H]2N1c1ccccc1N1C(C(C)=O)=NN(c3ccccc3)[C@@]21C ZINC000073222701 JI Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(C(=O)CNc2ccccc2Cl)c2ccccc12 ZINC000073223900 JI Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(C(=O)CNc2ccccc2Cl)c2ccccc12 ZINC000073223902 JI Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(C)S(C)(=O)=O)c1 ZINC000073223976 JI Annotated Anodyne CCCCCCCCCCO[C@H]1C=C(COC(C)=O)C(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12 ZINC000073224402 JI Annotated Mild CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl ZINC000073240745 JI Annotated Anodyne O=C(O)/C=C/C(=O)N(O)CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1 ZINC000073240815 JI Annotated Anodyne CCO[P@@]1(=O)N/C(=N/C2=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O2)N(C)C1(C)C ZINC000073241373 JI Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@@]2(O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C[C@]12Cl ZINC000073277815 JI Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@@]2(O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C[C@@]12Cl ZINC000073277819 JI Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C[C@]12Cl ZINC000073277822 JI Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C[C@@]12Cl ZINC000073277827 JI Annotated Mild O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)s2)o1 ZINC000073292258 JI Annotated Bother O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4cccc(Cl)c4Cl)nn3)s2)o1 ZINC000073292409 JI Annotated Bother O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccc(Cl)cc4Cl)nn3)s2)o1 ZINC000073292808 JI Annotated Bother COc1cc(Br)ccc1-c1ccc(CCC(=O)O)n1-c1ccc(C(N)=O)cc1C ZINC000073293717 JI Annotated Clean CCOC(=O)c1cn(Cc2cn(-c3ccc(Cl)cc3)nn2)c2cc(Cl)c(F)cc2c1=O ZINC000073294271 JI Annotated Anodyne CCOC(=O)c1cn(Cc2cn(-c3cccc(Cl)c3)nn2)c2cc(Cl)c(F)cc2c1=O ZINC000073294273 JI Annotated Anodyne CC(=N\N=C\c1ccccn1)/C(C)=N/N=C(C)/C(C)=N/N=C(C)/C(C)=N/N=C/c1ccccn1 ZINC000073296115 JI Annotated Mild COc1ccc(Br)c(-c2nnc3sc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)nn23)c1 ZINC000073297074 JI Annotated Bother O=C(N/N=C/c1cccc(O)c1O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 ZINC000073310089 JI Annotated Reactive CCOC(=O)c1cn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c2cc(Cl)c(F)cc2c1=O ZINC000073310106 JI Annotated Anodyne COc1cccc(COC2=CC(=O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)C2)c1 ZINC000073311393 JI Annotated Mild COc1ccccc1COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000073314089 JI Annotated Mild COc1cccc(COC2=CC(=O)C[C@@H](C)[C@]23Oc2c(Cl)c(OC)cc(OC)c2C3=O)c1 ZINC000073314092 JI Annotated Mild CCOC(=O)c1sc2[nH]c(=O)n(C/C=C/c3ccc(O)cc3)c(=O)c2c1CCc1ccccc1 ZINC000073314748 JI Annotated Anodyne CCOC(=O)c1sc2[nH]c(=O)n(C/C=C/c3ccc(OC)cc3)c(=O)c2c1CCc1ccccc1 ZINC000073314760 JI Annotated Anodyne Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4ccc(C(F)(F)F)cc4)c3)cc21 ZINC000073314823 JI Annotated Anodyne C/C(=N\OCc1nc2ccccc2c(=O)n1/N=C\c1cc(C)cc([N+](=O)[O-])c1O)c1ccccc1 ZINC000073316788 JI Annotated Mild C/C(=N/OCc1nc2ccccc2c(=O)n1/N=C\c1cc(C)cc([N+](=O)[O-])c1O)c1ccccc1 ZINC000073316791 JI Annotated Mild COc1ccc(COC2=CC(=O)C[C@@H](C)[C@]23Oc2c(Cl)c(OC)cc(OC)c2C3=O)cc1 ZINC000073332489 JI Annotated Mild CN(C)C(=O)O[C@@H]1C(=O)N(C)c2ccc(Cl)cc2[C@]2(c3ccccc3)N1C2(Cl)Cl ZINC000073353868 JI Annotated Anodyne C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@H]1CC=C2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000073370997 JI Annotated Anodyne Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccccc3O)C2)c(C)c1Cl ZINC000073386554 JI Annotated Clean Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccccc3O)C2)c(C)c1Cl ZINC000073386555 JI Annotated Clean O=C(CNc1ccc2ccccc2c1)N/N=C\c1cc(Br)c(O)c(Br)c1O ZINC000078938391 JI Annotated Reactive in-vitro COCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCCN1CCCC[C@@H]1C ZINC000008017459 JI Annotated Anodyne COCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCCN1CCCC[C@H]1C ZINC000008017466 JI Annotated Anodyne Cc1cc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)nn1C ZINC000008018886 JI Annotated Reactive COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@]12c1ccc(OC)cc1 ZINC000008019511 JI Annotated Anodyne COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@]12c1ccc(OC)cc1 ZINC000008019524 JI Annotated Anodyne CCO[C@H]1O[C@@H]([C@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O ZINC000008035306 JI Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C/C=N\OC[C@@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000008035662 JI Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCO/N=C\[C@@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O ZINC000008035740 JI Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000008035780 JI Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000008035964 JI Annotated Mild CCOC(=O)c1cc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1 ZINC000008399434 JI Annotated Mild CC[C@@H](CO)N(Cc1ccc(O)c(OC)c1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000082047204 JI Annotated Anodyne CC[C@H](CO)N(Cc1ccc(O)c(OC)c1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000082047206 JI Annotated Anodyne COc1ccc(CN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)C[C@@H](C)O)cc1OC ZINC000082051328 JI Annotated Anodyne COc1ccc(CN(C[C@@H](C)O)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)cc1OC ZINC000082051332 JI Annotated Anodyne COc1ccc(CN(CCCO)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)cc1OC ZINC000082051537 JI Annotated Anodyne COc1ccc(CN(CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)cc1OC ZINC000082051539 JI Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3[C@@H]3O[C@@]132 ZINC000082051595 JI Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCCO)Cc4ccc(OC)c(OC)c4)[C@H]3C[C@H]12 ZINC000082051618 JI Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCCO)Cc4ccc(OC)c(OC)c4)[C@H]3C[C@H]12 ZINC000082051619 JI Annotated Mild C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCN(c6cccc(C(F)(F)F)c6)CC5)[C@H]4C[C@]13O2 ZINC000082051679 JI Annotated Anodyne CCOc1ccc(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4[C@@]2(C)C3=O)cc1 ZINC000082052753 JI Annotated Anodyne CCOc1ccc(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4[C@]2(C)C3=O)cc1 ZINC000082052754 JI Annotated Anodyne COc1ccc2[nH]cc(CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C(C)=O)c2c1 ZINC000082053038 JI Annotated Anodyne COc1ccc2[nH]cc(CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@H]5C[C@@H]43)C(C)=O)c2c1 ZINC000082053061 JI Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(N)=C1C#N ZINC000082053134 JI Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(N)=C1C#N ZINC000082053136 JI Annotated Reactive COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082065799 JI Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082065818 JI Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3CC=CCC3)n2)cc1 ZINC000082066001 JI Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3CC=CCC3)n2)cc1 ZINC000082066055 JI Annotated Anodyne CCN(CC)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066155 JI Annotated Anodyne C=CCN(CC=C)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066176 JI Annotated Mild C=CCN(CC=C)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066203 JI Annotated Mild C=CCN(CC=C)c1nc(NCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066282 JI Annotated Mild COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N(C)C(C)C)n2)cc1 ZINC000082066329 JI Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N(C)C(C)C)n2)cc1 ZINC000082066361 JI Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066513 JI Annotated Mild COc1ccc(Oc2nc(NCCCCCO)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066525 JI Annotated Mild COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066558 JI Annotated Anodyne C=CCN(CC=C)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067076 JI Annotated Mild C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000082067136 JI Annotated Mild COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067149 JI Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067150 JI Annotated Mild Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCc2ccccn2)co1 ZINC000082069238 JI Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCc2ccccn2)co1 ZINC000082069239 JI Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@H](CO)C2)cs1 ZINC000082069400 JI Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@@H](CO)C2)cs1 ZINC000082069401 JI Annotated Anodyne COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000082069678 JI Annotated Anodyne COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000082069679 JI Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3OCC)n2)C1 ZINC000082069698 JI Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3OCC)n2)C1 ZINC000082069699 JI Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCc3ccccn3)C2)cs1 ZINC000082069700 JI Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCc3ccccn3)C2)cs1 ZINC000082069701 JI Annotated Anodyne NC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000082069833 JI Annotated Anodyne CCCCOC(=O)COC(=O)c1ccc(CNC(=O)c2coc(-c3ccc(C)cc3)n2)cc1 ZINC000082069879 JI Annotated Anodyne CCCCOC(=O)COC(=O)c1ccc(CNC(=O)c2coc(-c3ccccc3C)n2)cc1 ZINC000082069892 JI Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)O)C(C)C)cs1 ZINC000082070040 JI Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)O)C(C)C)cs1 ZINC000082070041 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C ZINC000082070160 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C ZINC000082070161 JI Annotated Anodyne COC(=O)[C@@H](NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1)C(C)C ZINC000082070375 JI Annotated Anodyne COC(=O)[C@H](NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1)C(C)C ZINC000082070376 JI Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCN(C)C ZINC000082070379 JI Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCN(C)C ZINC000082070380 JI Annotated Anodyne CCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082070721 JI Annotated Anodyne CCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082070722 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082070748 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082070749 JI Annotated Anodyne CCC#CCOC(=O)[C@@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082070884 JI Annotated Mild CCC#CCOC(=O)[C@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082070885 JI Annotated Mild C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082070888 JI Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082070889 JI Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCCCN(C)C ZINC000082070890 JI Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCCCN(C)C ZINC000082070891 JI Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)OCCC1CCCCC1 ZINC000082071229 JI Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)OCCC1CCCCC1 ZINC000082071230 JI Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)OCCC1CCCCC1 ZINC000082071253 JI Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)OCCC1CCCCC1 ZINC000082071254 JI Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082071441 JI Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082071442 JI Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OC[C@@H]2CCCN2C)co1 ZINC000082071795 JI Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OC[C@@H]2CCCN2C)co1 ZINC000082071798 JI Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OC[C@H]2CCCN2C)co1 ZINC000082071800 JI Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OC[C@H]2CCCN2C)co1 ZINC000082071804 JI Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OC)cs1 ZINC000082071876 JI Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OC)cs1 ZINC000082071878 JI Annotated Anodyne Nc1ccccc1CNC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072011 JI Annotated Anodyne CCCCOCCCNC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072016 JI Annotated Anodyne O=C(CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NCc1ccco1 ZINC000082072018 JI Annotated Anodyne CCCCOCCOC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072367 JI Annotated Anodyne O=C(CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)OCCc1ccccn1 ZINC000082072371 JI Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082072928 JI Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082072930 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082073063 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082073065 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccccc2C)n1 ZINC000082073113 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccccc2C)n1 ZINC000082073115 JI Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073560 JI Annotated Anodyne CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073562 JI Annotated Anodyne CCCCNC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073949 JI Annotated Anodyne CN(CC(=O)N1CCCCC1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073958 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082073972 JI Annotated Anodyne CCC#CCOC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074080 JI Annotated Mild CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074084 JI Annotated Anodyne CN(C)CCCCOC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074086 JI Annotated Anodyne COc1cc(Nc2cc3c(cn2)cc(-c2cccc(N(C)C(C)=O)c2)n3C)cc(OC)c1OC ZINC000082078720 JI Annotated Anodyne CC(=O)N(C)c1cccc(-c2cc3cnc(Nc4ccc(N5CCOCC5)cc4)cc3n2C)c1 ZINC000082078787 JI Annotated Anodyne Cn1cc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)cc3n2Cc2ccccc2)cn1 ZINC000082078946 JI Annotated Anodyne Cn1cc(-c2cc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc3n2Cc2ccccc2)cn1 ZINC000082079101 JI Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081159 JI Annotated Bother O=C(NCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081160 JI Annotated Bother Nc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081192 JI Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081193 JI Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081249 JI Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081250 JI Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081278 JI Annotated Bother O=C(NCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081279 JI Annotated Bother Nc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081286 JI Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081287 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081412 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081413 JI Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081530 JI Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081531 JI Annotated Anodyne O=C(OCCc1ccccn1)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081538 JI Annotated Anodyne O=C(OCCc1ccccn1)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081539 JI Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cc(OC)cc(OC)c3)n2)C1 ZINC000082081558 JI Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cc(OC)cc(OC)c3)n2)C1 ZINC000082081559 JI Annotated Anodyne O=C(NCc1ccco1)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082081667 JI Annotated Bother COc1cccc(CNC(=O)c2ccc(CNC(=O)c3coc(-c4cccs4)n3)cc2)c1OC ZINC000082081712 JI Annotated Anodyne O=C(NCc1ccco1)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000082081727 JI Annotated Bother COc1ccc(/C(O)=N/c2ccc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2)cc1OC ZINC000082081808 JI Annotated Mild O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082081861 JI Annotated Bother CNc1nc2cnc(Nc3ccc(OC(C)C)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081882 JI Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 ZINC000082081917 JI Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 ZINC000082081920 JI Annotated Bother CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1 ZINC000082082144 JI Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1 ZINC000082082147 JI Annotated Bother CCCCOC(=O)COC(=O)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000082082560 JI Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000082082562 JI Annotated Anodyne C/C(O)=N\c1ccc(-c2nnc3ccc(-c4cccc(C(=O)N5CCN(C)CC5)c4)cn23)cc1 ZINC000082082746 JI Annotated Mild CNc1nc2cnc(Nc3cccc(/N=C(\C)O)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082899 JI Annotated Mild C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000082083044 JI Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000082083045 JI Annotated Bother COc1cc(C/N=C(\O)Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)cc(OC)c1OC ZINC000082083201 JI Annotated Mild COc1cc(C/N=C(\O)Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)cc(OC)c1OC ZINC000082083203 JI Annotated Mild CNc1nc2cnc(Nc3ccc(C(=O)N(C)C)cc3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000082083230 JI Annotated Anodyne Nc1ccccc1CNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084499 JI Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084500 JI Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cccs2)n1 ZINC000082084505 JI Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cccs2)n1 ZINC000082084506 JI Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCCN1CCCC1)c1coc(-c2cccs2)n1 ZINC000082084604 JI Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCCCN1CCCC1)c1coc(-c2cccs2)n1 ZINC000082084605 JI Annotated Anodyne NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084628 JI Annotated Anodyne NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084629 JI Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084658 JI Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084659 JI Annotated Mild CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084686 JI Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084687 JI Annotated Mild CN(C)C(C)(C)COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084690 JI Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084691 JI Annotated Anodyne CN(C)CCCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084692 JI Annotated Anodyne CN(C)CCCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084693 JI Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084698 JI Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084699 JI Annotated Anodyne O=C(CNC(=O)c1coc(-c2ccc3ccccc3c2)n1)NCc1cccc(OC(F)(F)F)c1 ZINC000082084822 JI Annotated Anodyne CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084863 JI Annotated Anodyne CNc1nc2cnc(Nc3ccc(/N=C(\C)O)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082084992 JI Annotated Mild O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085085 JI Annotated Bother O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085086 JI Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCCC3=CCCCC3)cs2)c1 ZINC000082085152 JI Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCCC3=CCCCC3)cs2)c1 ZINC000082085153 JI Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCC3CCCCC3)cs2)c1 ZINC000082085164 JI Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCC3CCCCC3)cs2)c1 ZINC000082085165 JI Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085182 JI Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085183 JI Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085198 JI Annotated Bother O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085199 JI Annotated Bother COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC ZINC000082085222 JI Annotated Anodyne COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC ZINC000082085223 JI Annotated Anodyne CN(CC(=O)NCc1cccc(OC(F)(F)F)c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085613 JI Annotated Bother O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1ccco1)c1csc(Nc2ccccc2)n1 ZINC000082085968 JI Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCc1ccco1)c1csc(Nc2ccccc2)n1 ZINC000082085969 JI Annotated Anodyne CN(CC(=O)NCc1ccco1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082088090 JI Annotated Anodyne CN(CC(=O)NCc1cccc(OC(F)(F)F)c1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082089351 JI Annotated Bother COc1ccc(OC)c(/N=C(\O)[C@H]2C[C@H]([C@H](C)O)N[C@@]23C(O)=Nc2c(C)cc(Cl)cc23)c1 ZINC000082098459 JI Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccoc3)nc(NCc3ccco3)c2cc1OC ZINC000082118471 JI Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccoc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082118477 JI Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 ZINC000082118483 JI Annotated Anodyne CCNc1nc(NCCCCNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118532 JI Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccncc3)nc(NCc3cccs3)c2cc1OC ZINC000082118568 JI Annotated Anodyne CCNc1nc(NCCCNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118653 JI Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082118674 JI Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082118675 JI Annotated Anodyne CCNc1nc(NCCCNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082118710 JI Annotated Anodyne CCNc1nc(NCCCNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118728 JI Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccoc3)nc(NCc3ccco3)c2cc1OC ZINC000082119434 JI Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082119440 JI Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccoc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082119447 JI Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)CCOc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082119474 JI Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082119507 JI Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccncc3)nc(NCc3ccco3)c2cc1OC ZINC000082119510 JI Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000082119516 JI Annotated Bother CCNc1nc(NCCCCNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082119832 JI Annotated Anodyne CCNc1nc(NCCCCNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000082119837 JI Annotated Anodyne CCNc1nc(NCCCCNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082119845 JI Annotated Anodyne C=C[C@]1(C)CCC2=C([C@H]1OC(C)=O)[C@H](OC(C)=O)C[C@@H]1[C@@](C)(C(=O)OC)CC[C@H](OC(C)=O)[C@@]21C ZINC000082123348 JI Annotated Mild C=C[C@]1(C)CCC2=C([C@H]1OC(C)=O)[C@H](OC(C)=O)C[C@H]1[C@@](C)(C(=O)OC)CC[C@H](OC(C)=O)[C@@]21C ZINC000082123350 JI Annotated Mild COc1cc2nc(NCCCCO)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082126265 JI Annotated Anodyne COc1ccccc1CNc1nc(N(C)C[C@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082126482 JI Annotated Anodyne COc1ccccc1CNc1nc(N(C)C[C@@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082126485 JI Annotated Anodyne COc1cccc(CNc2nc(N(C)C[C@H](O)c3ccccc3)nc3cc(OC)c(OC)cc23)c1 ZINC000082126522 JI Annotated Anodyne COc1cccc(CNc2nc(N(C)C[C@@H](O)c3ccccc3)nc3cc(OC)c(OC)cc23)c1 ZINC000082126525 JI Annotated Anodyne COc1ccc(CNc2nc(N(C)C[C@H](O)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000082126639 JI Annotated Anodyne COc1ccc(CNc2nc(N(C)C[C@@H](O)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000082126642 JI Annotated Anodyne CCN(CC)CCCNc1nc(NCCc2cccc(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082128137 JI Annotated Anodyne CCN(CC)CCCNc1nc(NCCc2ccc(O)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082128212 JI Annotated Anodyne COc1ccc(CCN(C)c2nc(NCC(C)C)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000082128243 JI Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCCc3ccccc3)c2cc1OC ZINC000082128310 JI Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCCc3ccccc3)c2cc1OC ZINC000082128312 JI Annotated Anodyne COc1ccccc1CCNc1nc(N(C)C[C@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128339 JI Annotated Anodyne COc1ccccc1CCNc1nc(N(C)C[C@@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128341 JI Annotated Anodyne COc1cccc(CCNc2nc(N(C)C[C@H](O)c3ccccc3)nc3cc(OC)c(OC)cc23)c1 ZINC000082128362 JI Annotated Anodyne COc1cccc(CCNc2nc(N(C)C[C@@H](O)c3ccccc3)nc3cc(OC)c(OC)cc23)c1 ZINC000082128363 JI Annotated Anodyne COc1cc2nc(NC[C@H](O)CO)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000082129442 JI Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000082129444 JI Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082129471 JI Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082129475 JI Annotated Anodyne CCN(CC)CCCNc1nc(NCCc2cccc(OC)c2OC)c2cc(OC)c(OC)cc2n1 ZINC000082130448 JI Annotated Anodyne COc1ccc(CCNc2nc(N(C)C[C@H](O)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000082131777 JI Annotated Anodyne COc1ccc(CCNc2nc(N(C)C[C@@H](O)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000082131780 JI Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3)n2)cc1OC ZINC000082132900 JI Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 ZINC000082133011 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 ZINC000082133012 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 ZINC000082133013 JI Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)cc1OC ZINC000082133300 JI Annotated Anodyne CCCCNC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134549 JI Annotated Bother CCN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134800 JI Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134953 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135206 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135211 JI Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCCOC)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135230 JI Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135287 JI Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135353 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135354 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135356 JI Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135410 JI Annotated Mild CC(C)CN(C)c1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135583 JI Annotated Bother CC[C@@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135751 JI Annotated Bother CC[C@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135752 JI Annotated Bother CCN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136113 JI Annotated Bother C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(/C(O)=N/CCC3=CCCCC3)c2c1 ZINC000082138212 JI Annotated Mild C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(/C(O)=N/CCC3=CCCCC3)c2c1 ZINC000082138213 JI Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(F)cc1 ZINC000082139667 JI Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(F)cc2)n1 ZINC000082139723 JI Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082139853 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082139919 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082139920 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082139923 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 ZINC000082139925 JI Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082140008 JI Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)CC1 ZINC000082140378 JI Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082141506 JI Annotated Anodyne CCN(C)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc(F)cc1 ZINC000082141579 JI Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccco3)n2)cc1OC ZINC000082141943 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 ZINC000082142485 JI Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143612 JI Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000082144109 JI Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000082144111 JI Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000082144113 JI Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2CCC(C)CC2)cc(OC)c1OC ZINC000082144144 JI Annotated Anodyne CCN(C)c1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082144958 JI Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc(C)c2)n1 ZINC000082145649 JI Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc(C)c1 ZINC000082145799 JI Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc(C)c1 ZINC000082145948 JI Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCCC3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082145957 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc(C)c1 ZINC000082146084 JI Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000082147406 JI Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147776 JI Annotated Bother COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147778 JI Annotated Bother COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147862 JI Annotated Bother COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147865 JI Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148002 JI Annotated Bother CCCCNC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148251 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148481 JI Annotated Bother COc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148537 JI Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCCOC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148620 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148756 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148757 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148758 JI Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149366 JI Annotated Bother CC1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149907 JI Annotated Bother CC[C@@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149966 JI Annotated Bother CC[C@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149969 JI Annotated Bother CC[C@@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150085 JI Annotated Bother CC[C@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150088 JI Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N(C)CC)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082150150 JI Annotated Bother CN1CCN(CCCN2CCC3(N(C)C)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000082151018 JI Annotated Anodyne CN1CCN(CCCN2CCC3(N(C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082151021 JI 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(=O)CCC)CC[C@@H]1OO ZINC000082151147 JI Annotated Reactive COc1cccc(OC)c1CNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccccc2F)n1 ZINC000082151220 JI Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)cc1OC ZINC000082151727 JI Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000082152108 JI Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000082152109 JI Annotated Anodyne COc1cc(Br)ccc1Nc1nc(N)n(C(=O)NCc2c(Cl)cccc2Cl)n1 ZINC000082153160 JI Annotated Anodyne COc1cc(Br)ccc1Nc1nc(N)nn1C(=O)NCc1c(Cl)cccc1Cl ZINC000082153164 JI Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccccc3F)n2)CC1 ZINC000082153229 JI Annotated Anodyne CN1CCC2(CC1)C(=O)Nc1ccc(-c3ccc4[n+](n3)[C@H](Cc3ccc5ncccc5c3)N=N4)cc12 ZINC000082153359 JI Annotated Anodyne CN1CCC2(CC1)C(=O)Nc1ccc(-c3ccc4[n+](n3)[C@@H](Cc3ccc5ncccc5c3)N=N4)cc12 ZINC000082153363 JI Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082154113 JI Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082154114 JI Annotated Anodyne COc1cc(-n2c(-c3ccc(S(=O)(=O)c4ccccc4)cc3)n[nH]c2=S)cc(OC)c1OC ZINC000082154343 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3COC4=C(C(=O)c5ccccc5C4=O)[C@H]32)cc1 ZINC000082154892 JI Annotated Mild COc1ccc(-c2cnnn2-c2cc(Br)c(OC)c(Br)c2)cc1O ZINC000082155744 JI Annotated Anodyne COc1cc(C=O)ccc1OCc1cn([C@H]2C(=O)N(C3CCCCC3)[C@H]2/C=C/c2ccccc2)nn1 ZINC000082156060 JI Annotated Anodyne COc1cc(C=O)ccc1OCc1cn([C@@H]2C(=O)N(C3CCCCC3)[C@H]2/C=C/c2ccccc2)nn1 ZINC000082156065 JI Annotated Anodyne COc1cc(C=O)ccc1OCc1cn([C@H]2C(=O)N(C3CCCCC3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000082156072 JI Annotated Anodyne COc1cc(C=O)ccc1OCc1cn([C@@H]2C(=O)N(C3CCCCC3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000082156075 JI Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2)c(NC(=O)Nc2ccc3ccccc3c2)s1 ZINC000082156236 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000082156317 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000082156319 JI Annotated Anodyne Cc1ccc(C(=O)Nc2c(NC(=O)CN3CCSCC3)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000082156634 JI Annotated Clean O=C(Nc1cccc(-c2ccc(OC(F)(F)F)cc2)c1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082156776 JI Annotated Bother COc1ccc(-c2cnnn2-c2cc(Br)c(OC)c(Br)c2)c(O)c1 ZINC000082157101 JI Annotated Anodyne O=C(NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082157136 JI Annotated Bother CC1(C)CN(Cc2nnc(-c3ccccc3)o2)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000082157308 JI Annotated Mild COc1cc(C(=O)Nc2ccc(-c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000082157354 JI Annotated Bother Cc1ccc(C)c(COc2cc(NC(=O)Cc3ccccc3)ccc2N(C)S(C)(=O)=O)c1 ZINC000082157902 JI Annotated Anodyne O=C(CCC(=O)N1C=CC=CC=C1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000082157940 JI Annotated Anodyne O=C(O)c1cc(-c2ccccc2)c(=O)n2c1S(=O)(=O)c1ccc(OC3CCCCC3)cc1-2 ZINC000082157941 JI Annotated Anodyne COCC[C@H](C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000082158165 JI Annotated Anodyne COCC[C@@H](C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000082158166 JI Annotated Anodyne CCNS(=O)(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(F)cc1F ZINC000082158330 JI Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(C#N)cc1 ZINC000082158566 JI Annotated Mild COCCOc1cc(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)ccn1 ZINC000082158639 JI Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCCCC3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082158699 JI Annotated Mild CCN(C)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccccc1F ZINC000082159003 JI Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159356 JI Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159357 JI Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159358 JI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159391 JI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159392 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082159556 JI Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082159557 JI Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082159558 JI Annotated Mild CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159735 JI Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159736 JI Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159737 JI Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082159768 JI Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082159817 JI Annotated Mild CC[C@@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc(C#N)cc1 ZINC000082160159 JI Annotated Mild CC[C@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc(C#N)cc1 ZINC000082160160 JI Annotated Mild Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163653 JI Annotated Bother Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163654 JI Annotated Bother CCCCCc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163659 JI Annotated Bother CCCCCc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163660 JI Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163661 JI Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163662 JI Annotated Bother CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163872 JI Annotated Bother CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163883 JI Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3ccco3)s2)c1 ZINC000082165745 JI Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3ccco3)s2)cc1 ZINC000082165747 JI Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccco3)s2)c1 ZINC000082165768 JI Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccco3)s2)c1 ZINC000082165822 JI Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccco3)s2)c1 ZINC000082165823 JI Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccco3)s2)cc1 ZINC000082165825 JI Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccco3)s2)cc1 ZINC000082165827 JI Annotated Anodyne CCc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166951 JI Annotated Anodyne CCc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166956 JI Annotated Anodyne COc1cc(-c2nc(N3CCC(O)CC3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082167182 JI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000082167535 JI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000082167536 JI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000082167537 JI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000082167538 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccccc1Br ZINC000082167584 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccccc1Br ZINC000082167585 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccccc1Br ZINC000082167586 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1Br ZINC000082167588 JI Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082171903 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082171904 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082171906 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082171907 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082171910 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082171913 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000082172082 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000082172086 JI Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000082172089 JI Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000082172092 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082172159 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082172163 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082172168 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082172170 JI Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082172375 JI Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082172376 JI Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000082172379 JI Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000082172382 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082172939 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082172943 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000082172982 JI Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000082172984 JI Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC(C)(C)O2)c1ccccc1 ZINC000082173386 JI Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC(C)(C)O2)c1ccccc1 ZINC000082173390 JI Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2)c1ccccc1 ZINC000082174395 JI Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2)c1ccccc1 ZINC000082174399 JI Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082174504 JI Annotated Bother CCCCCc1nc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174509 JI Annotated Bother Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174542 JI Annotated Bother Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174545 JI Annotated Bother CCCCCc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174559 JI Annotated Bother CCCCCc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174562 JI Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174564 JI Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174566 JI Annotated Bother CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174829 JI Annotated Bother CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174839 JI Annotated Bother CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082175289 JI Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082175292 JI Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC(C)(C)O2 ZINC000082177743 JI Annotated Anodyne COc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082177803 JI Annotated Anodyne COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000082177831 JI Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCCOC(=O)C(F)(F)F ZINC000082177853 JI Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177869 JI Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCCN1CCCC1=O ZINC000082177887 JI Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082177902 JI Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCN1CCCC1=O ZINC000082177917 JI Annotated Clean COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC(C)(C)O2 ZINC000082177999 JI Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC(C)(C)O2 ZINC000082178001 JI Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082178239 JI Annotated Anodyne COc1cc(-c2nc3c(NCc4ccccc4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082178249 JI Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082178326 JI Annotated Anodyne O=C(OCCCCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178396 JI Annotated Anodyne O=C1CCCN1CCCn1c(CCc2ccccc2)nc2c(NCc3cccs3)ncnc21 ZINC000082178958 JI Annotated Anodyne COc1cc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCCN2CCCC2=O)ccc1O ZINC000082179114 JI Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(O)c2)n3CCCN2CCCC2=O)cc1 ZINC000082179127 JI Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082179177 JI Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC3CC3)ncnc21 ZINC000082179375 JI Annotated Anodyne COc1cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCN2CCCCC2)ccc1O ZINC000082179455 JI Annotated Anodyne COc1cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2C[C@@H]2CCCO2)ccc1O ZINC000082179457 JI Annotated Anodyne COc1cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2C[C@H]2CCCO2)ccc1O ZINC000082179458 JI Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCN2CCCCC2)c1 ZINC000082179473 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(O)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179484 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179530 JI Annotated Clean O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179576 JI Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCCN2CCCC2=O)o1 ZINC000082179616 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179635 JI Annotated Anodyne CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179712 JI Annotated Anodyne O=C(OCCCCn1c(C2CC2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082179740 JI Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O ZINC000082179755 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179864 JI Annotated Clean CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180014 JI Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180015 JI Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCN1CCCC1=O ZINC000082180150 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC3CC3)ncnc21 ZINC000082180168 JI Annotated Anodyne CC(=O)NCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180177 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180213 JI Annotated Clean COc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082180219 JI Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082180429 JI Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082180431 JI Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCN2CCCCC2)ccc1O ZINC000082180605 JI Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCN2CCCCC2)c1 ZINC000082180625 JI Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180639 JI Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180641 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180660 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180704 JI Annotated Clean O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082180789 JI Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082180791 JI Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082180793 JI Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082180795 JI Annotated Anodyne CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180928 JI Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180929 JI Annotated Anodyne CCCc1nc2c(NCCc3ccccc3F)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082180993 JI Annotated Anodyne O=C(OCCCCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000082181036 JI Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082181145 JI Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082181148 JI Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082181149 JI Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181205 JI Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181207 JI Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NC)CC1(CCCCC1)O2 ZINC000082181218 JI Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NC)CC1(CCCCC1)O2 ZINC000082181219 JI Annotated Anodyne COc1cc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2CCN2CCCCC2)ccc1O ZINC000082181447 JI Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181834 JI Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181835 JI Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182500 JI Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182502 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184910 JI Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184917 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccnc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184971 JI Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082185409 JI Annotated Anodyne COc1cc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)ccc1O ZINC000082185422 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185683 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185798 JI Annotated Anodyne CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082185995 JI Annotated Anodyne O=C(OCCCCn1c(C2CC2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082186067 JI Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCCCOC(=O)C(F)(F)F ZINC000082186441 JI Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082187008 JI Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)ccc1O ZINC000082187040 JI Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2C[C@@H]2CCCO2)ccc1O ZINC000082187044 JI Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2C[C@H]2CCCO2)ccc1O ZINC000082187046 JI Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)c1 ZINC000082187067 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187093 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187113 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187206 JI Annotated Clean O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187276 JI Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187398 JI Annotated Anodyne CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187496 JI Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187498 JI Annotated Anodyne CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082187581 JI Annotated Anodyne O=C(OCCCCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082187632 JI Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082187882 JI Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082187885 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188064 JI Annotated Clean CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188066 JI Annotated Clean C[C@@H](CNc1ncnc2c1nc(-c1cccnc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188144 JI Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccnc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188146 JI Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189029 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccoc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189126 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189228 JI Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189606 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccoc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189689 JI Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189728 JI Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CC[C@H]2CCCN2C)cc1 ZINC000082190171 JI Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CC[C@@H]2CCCN2C)cc1 ZINC000082190174 JI Annotated Anodyne O=C(OCCCCn1c(-c2cccnc2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082190273 JI Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2cccc(Cl)c2)cc1 ZINC000082190899 JI Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2cccc(Cl)c2)c1 ZINC000082190908 JI Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCc2cccc(F)c2)cc1 ZINC000082190991 JI Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCc2cccc(F)c2)c(C)c1 ZINC000082191004 JI Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCCc2ccccc2)cc1 ZINC000082191046 JI Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2Cc2ccccc2Cl)cc1 ZINC000082191264 JI Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2Cc2ccccc2Cl)cc1 ZINC000082191266 JI Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2Cc2ccccc2Cl)c1 ZINC000082191271 JI Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2C2CCCC2)cc1 ZINC000082191372 JI Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCc2cccc(F)c2)cc1C ZINC000082191711 JI Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000082192398 JI Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000082192424 JI Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000082192427 JI Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000082192431 JI Annotated Mild CCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082192446 JI Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082192451 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082192454 JI Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082192459 JI Annotated Anodyne CC[C@H](C)[C@H](Nc1nc(-c2ccc(I)cc2)cs1)C(=O)NCCOC ZINC000082192478 JI Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082192679 JI Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082192684 JI Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082192689 JI Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082192696 JI Annotated Mild CSCC[C@H](Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082192816 JI Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082192821 JI Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(Br)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082192826 JI Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(Br)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082192828 JI Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000082193141 JI Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082194347 JI Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082194349 JI Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194512 JI Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194515 JI Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cccc(Br)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194518 JI Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cccc(Br)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194519 JI Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194621 JI Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194623 JI Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194986 JI Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194989 JI Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194992 JI Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194993 JI Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194996 JI Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194998 JI Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082195000 JI Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082195003 JI Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195014 JI Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195016 JI Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195020 JI Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195021 JI Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000082195408 JI Annotated Bother COc1cc(-c2csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n2)cc(OC)c1OC ZINC000082195489 JI Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCc3ccccc3F)n2)cc1[N+](=O)[O-] ZINC000082195679 JI Annotated Bother CSCC[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195819 JI Annotated Bother CSCC[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195820 JI Annotated Bother CSCC[C@@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195889 JI Annotated Bother CSCC[C@@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195890 JI Annotated Bother CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc(Cl)s3)cs2)CC1 ZINC000082195902 JI Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN2c2nc(-c3ccc(Cl)s3)cs2)CC1 ZINC000082195903 JI Annotated Anodyne O=C(c1ccccc1Cl)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196016 JI Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1Cl)C3 ZINC000082196027 JI Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1C(F)(F)F)CC3 ZINC000082196036 JI Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1C(F)(F)F)CC3 ZINC000082196047 JI Annotated Anodyne O=C(CCC1CCCC1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196083 JI Annotated Anodyne O=C([C@@H]1C[C@H]1c1ccccc1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196085 JI Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)CCC1CCCC1)C3 ZINC000082196096 JI Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C3 ZINC000082196098 JI Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc2ccccc2c1)CC3 ZINC000082196111 JI Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc2ccccc2c1)C3 ZINC000082196144 JI Annotated Anodyne O=C(c1ccc(Cl)cc1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196148 JI Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(Cl)cc1)C3 ZINC000082196149 JI Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)COc1ccc(Cl)cc1)C3 ZINC000082196153 JI Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC3 ZINC000082196161 JI Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC3 ZINC000082196174 JI Annotated Anodyne O=C(c1ccc(F)cc1F)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196262 JI Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196263 JI Annotated Anodyne O=C(c1c(F)cccc1F)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196264 JI Annotated Anodyne O=C(CCc1ccccc1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196271 JI Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(Cl)c1)C3 ZINC000082196274 JI Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)CCc1ccccc1)C3 ZINC000082196282 JI Annotated Anodyne O=C(c1cc(F)cc(F)c1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196340 JI Annotated Anodyne CCOc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196345 JI Annotated Anodyne O=C(c1cccc(F)c1F)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196346 JI Annotated Anodyne CCOc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196357 JI Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082196499 JI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082196500 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082196554 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082196555 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082196556 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082196557 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000082196562 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000082196563 JI Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082197036 JI Annotated Anodyne C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197067 JI Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197068 JI Annotated Anodyne C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197069 JI Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197070 JI Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082197410 JI Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082197411 JI Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082197412 JI Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082197413 JI Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCC#N)cc1 ZINC000082197422 JI Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCC#N)cc1 ZINC000082197423 JI Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCC#N)cc1 ZINC000082197424 JI Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCC#N)cc1 ZINC000082197425 JI Annotated Mild O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197783 JI Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197784 JI Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197785 JI Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197786 JI Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C1 ZINC000082197892 JI Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C1 ZINC000082197893 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198112 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198113 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198114 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198115 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198180 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198181 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198182 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198183 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198240 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198241 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198242 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198243 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198256 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198257 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198258 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198259 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198264 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198265 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198266 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198267 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198360 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198361 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198362 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198363 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198364 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198365 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198366 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198367 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198368 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198369 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198370 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198371 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198391 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198392 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198393 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198394 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198435 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198436 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198437 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198438 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198446 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198447 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198448 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198449 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198450 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198451 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198452 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198453 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082198530 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082198531 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082198532 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082198533 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198764 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198765 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198766 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198767 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cnccn2)C1 ZINC000082198904 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cnccn2)C1 ZINC000082198905 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cnccn2)C1 ZINC000082198906 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cnccn2)C1 ZINC000082198907 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198940 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198941 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198942 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198943 JI Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082199072 JI Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082199073 JI Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082199074 JI Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082199075 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199266 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199267 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199268 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199269 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082199358 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCOc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082199359 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCOc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082199360 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCOc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082199361 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccco2)C1 ZINC000082199402 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccco2)C1 ZINC000082199403 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccco2)C1 ZINC000082199404 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccco2)C1 ZINC000082199405 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199688 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCOc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199690 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCOc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199691 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCOc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199693 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082200648 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082200650 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082200651 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082200653 JI Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 ZINC000082201223 JI Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 ZINC000082201224 JI Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 ZINC000082204546 JI Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 ZINC000082204584 JI Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082204868 JI Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000082204991 JI Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082205120 JI Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205150 JI Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000082205155 JI Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205252 JI Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205276 JI Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000082205281 JI Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082205284 JI Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000082205290 JI Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205299 JI Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205303 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205344 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205435 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 ZINC000082205492 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205640 JI Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000082205654 JI Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000082205660 JI Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205776 JI Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205797 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205912 JI Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205938 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082205990 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccco1 ZINC000082206034 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206065 JI Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206088 JI Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206089 JI Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206107 JI Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206109 JI Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@@H](C(C)C)N3)c1 ZINC000082206111 JI Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](C(C)C)N3)c1 ZINC000082206114 JI Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206278 JI Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206280 JI Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206285 JI Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206287 JI Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206294 JI Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206295 JI Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@@H](C(C)C)N3)c1 ZINC000082206307 JI Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](C(C)C)N3)c1 ZINC000082206309 JI Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206355 JI Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206356 JI Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082206478 JI Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206612 JI Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206614 JI Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206844 JI Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206846 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](C)N3)cc1 ZINC000082206918 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@@H](C)N3)cc1 ZINC000082206919 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207310 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207313 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207316 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207320 JI Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207329 JI Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207332 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207411 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207416 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207419 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207424 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207453 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207457 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207463 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207466 JI Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207584 JI Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207586 JI Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207592 JI Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207593 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@@H](CC)N3)cc1 ZINC000082207659 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](CC)N3)cc1 ZINC000082207660 JI Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208104 JI Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208108 JI Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082208506 JI Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082208507 JI Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208599 JI Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208601 JI Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082208718 JI Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082208720 JI Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082208742 JI Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082208744 JI Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082208752 JI Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082208763 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@@H](C)CO)ccc2c1 ZINC000082208764 JI Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082208766 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H](C)CO)ccc2c1 ZINC000082208767 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)CO)ccc2c1 ZINC000082208772 JI Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082208841 JI Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082208844 JI Annotated Anodyne C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209093 JI Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209098 JI Annotated Anodyne C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209100 JI Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209104 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209199 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209201 JI Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209297 JI Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209303 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209402 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209404 JI Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209483 JI Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209484 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2)c1ccccc1 ZINC000082209840 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209841 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209842 JI Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000082210006 JI Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000082210008 JI Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000082210013 JI Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000082210016 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210160 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 ZINC000082210298 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 ZINC000082210300 JI Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210383 JI Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210386 JI Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210387 JI Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210388 JI Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)cc1 ZINC000082210435 JI Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)cc1 ZINC000082210440 JI Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)cc1 ZINC000082210443 JI Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)cc1 ZINC000082210445 JI Annotated Mild CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210618 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 ZINC000082210631 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 ZINC000082210633 JI Annotated Anodyne O=C(NCCO)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210650 JI Annotated Anodyne O=C(NCCO)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210652 JI Annotated Anodyne O=C(NCCO)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210656 JI Annotated Anodyne O=C(NCCO)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210659 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210686 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210691 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082210868 JI Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082210870 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082210874 JI Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082210879 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211691 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082211776 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082211779 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082211783 JI Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000082211811 JI Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000082211815 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@H](C)CN3)cc1 ZINC000082211908 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H](C)CN3)cc1 ZINC000082211910 JI Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000082212132 JI Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000082212136 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@H](C)CN3)cc1 ZINC000082212194 JI Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H](C)CN3)cc1 ZINC000082212197 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2)C1CC1 ZINC000082212288 JI Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000082212290 JI Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212607 JI Annotated Anodyne C[C@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212611 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212619 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212623 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212627 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212629 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082213141 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082213142 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082213143 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082213144 JI Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)cc1 ZINC000082213243 JI Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)cc1 ZINC000082213244 JI Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)cc1 ZINC000082213245 JI Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)cc1 ZINC000082213246 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082213341 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082213342 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082213343 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCO)cc1 ZINC000082213498 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCO)cc1 ZINC000082213499 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCO)cc1 ZINC000082213500 JI Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCO)cc1 ZINC000082213501 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082213920 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082213921 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082213922 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082214020 JI Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082214021 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3ccco3)C2)c1 ZINC000082214042 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3ccco3)C2)c1 ZINC000082214043 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3ccco3)C2)c1 ZINC000082214044 JI Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214155 JI Annotated Mild COc1cccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214156 JI Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214157 JI Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214158 JI Annotated Mild CCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082214179 JI Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082214180 JI Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082214181 JI Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082214182 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082214260 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082214261 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082214262 JI Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082214263 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000082214439 JI Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccco3)C2)c1 ZINC000082214440 JI Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1 ZINC000082214931 JI Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccco1 ZINC000082216556 JI Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082216600 JI Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082216602 JI Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082216604 JI Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082216656 JI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082216657 JI Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082216659 JI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082216661 JI Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000082216739 JI Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000082216742 JI Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216968 JI Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216970 JI Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F ZINC000082217072 JI Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000082218347 JI Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000082218350 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCSC ZINC000082218648 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCSC ZINC000082218649 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCCSC ZINC000082218651 JI Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCCSC ZINC000082218652 JI Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2cccnc2SC)C1 ZINC000082219127 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2cccnc2SC)C1 ZINC000082219129 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2cccnc2SC)C1 ZINC000082219132 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2cccnc2SC)C1 ZINC000082219133 JI Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082219624 JI Annotated Bother CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082219666 JI Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082219793 JI Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082219798 JI Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082219800 JI Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082219803 JI Annotated Anodyne CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082219809 JI Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220122 JI Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220124 JI Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220126 JI Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220127 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NC[C@H](C)O)ccc2c1 ZINC000082220162 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NC[C@@H](C)O)ccc2c1 ZINC000082220163 JI Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@H](C)O)ccc2c1 ZINC000082220165 JI Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082220602 JI Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082220604 JI Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082220606 JI Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082220607 JI Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082221445 JI Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082221448 JI Annotated Bother CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21 ZINC000082221825 JI Annotated Anodyne O=C(COc1ccc(Cl)cc1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222871 JI Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000082224108 JI Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1CC1CCCCC1)C[C@H](Cc1ccccc1)N2 ZINC000082224124 JI Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082224277 JI Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082224279 JI Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082224333 JI Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082224430 JI Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082224458 JI Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224461 JI Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000082224468 JI Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000082224470 JI Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082224508 JI Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2)C1CC1 ZINC000082224545 JI Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082224576 JI Annotated Bother O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccccc1)C[C@H](Cc1ccccc1)N2 ZINC000082227950 JI Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082228013 JI Annotated Anodyne CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1OC ZINC000082230768 JI Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1OC ZINC000082230769 JI Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(O)c1 ZINC000082230798 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(O)c1 ZINC000082230799 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(OC)cc1 ZINC000082230834 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000082230835 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000082230844 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000082230845 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000082230846 JI Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000082230847 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(OC)cc1 ZINC000082230884 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(OC)cc1 ZINC000082230885 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(OC)cc1 ZINC000082230886 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(OC)cc1 ZINC000082230887 JI Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000082230922 JI Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000082230923 JI Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000082230954 JI Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000082230955 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000082230956 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000082230957 JI Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000082230958 JI Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000082230959 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000082230972 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000082230973 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000082230974 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000082230975 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000082230978 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000082230979 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000082231066 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000082231067 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000082231068 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000082231069 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000082231088 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000082231089 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000082231090 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000082231091 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000082231092 JI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000082231093 JI Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000082231100 JI Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000082231101 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000082231130 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000082231131 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000082231132 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000082231133 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(OC)c(OC)c1 ZINC000082231167 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(OC)c(OC)c1 ZINC000082231168 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000082231169 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000082231170 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(O)c(OC)c1 ZINC000082231203 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(O)c(OC)c1 ZINC000082231204 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(O)c(OC)c1 ZINC000082231205 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(O)c(OC)c1 ZINC000082231206 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000082231215 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000082231216 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000082231217 JI Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000082231218 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000082231249 JI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000082231250 JI Annotated Mild O=c1[nH]c2ccc(N3CCC(O)(Cc4ccccc4)CC3)nc2nc1CSCc1ccccc1 ZINC000082231299 JI Annotated Anodyne C[C@@H]1CCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000082231338 JI Annotated Anodyne C[C@H]1CCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000082231339 JI Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCCC3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000082231454 JI Annotated Anodyne O=c1[nH]c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2nc1CSCc1ccccc1 ZINC000082231528 JI Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231718 JI Annotated Anodyne O=C(NCCCc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231733 JI Annotated Anodyne O=C(NCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231734 JI Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCOCCO)cc1OCc1ccccc1 ZINC000082235140 JI Annotated Anodyne CC[C@@H]1[C@H](C)C[C@@H]2[C@@H]1C=C[C@H]1[C@H]3C/C=C/C(=O)NCCC[C@H]4NC(=O)/C(=C(O)/C=C/[C@@H]3C[C@H]21)C4=O ZINC000083922728 JI Annotated Mild in-vitro CC[C@H]1[C@H](C)C[C@@H]2[C@@H]1C=C[C@H]1[C@H]3C/C=C/C(=O)NCCC[C@H]4NC(=O)/C(=C(O)/C=C/[C@@H]3C[C@H]21)C4=O ZINC000083922730 JI Annotated Mild in-vitro CC[C@@H]1[C@@H](C)C[C@@H]2[C@@H]1C=C[C@H]1[C@H]3C/C=C/C(=O)NCCC[C@H]4NC(=O)/C(=C(O)/C=C/[C@@H]3C[C@H]21)C4=O ZINC000083922732 JI Annotated Mild in-vitro CC(C)=CCC/C(C)=C/C[C@@]12O[C@]1(CC=C(C)C)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O ZINC000083924508 JI Annotated Mild in-vitro CC(C)=CCC/C(C)=C\C[C@@]12O[C@]1(CC=C(C)C)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O ZINC000083924510 JI Annotated Mild in-vitro COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCC(F)(F)F ZINC000084375213 JI Annotated Anodyne CCS(=O)(=O)/N=C(\O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1cc(F)ccc1F ZINC000084596194 JI Annotated Mild O=C(c1cc(O)c(O)cc1Br)c1cc(O)c(O)c(Br)c1Br ZINC000084596634 JI Annotated Clean FC(F)(F)Sc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084596648 JI Annotated Anodyne CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000084596766 JI Annotated Anodyne O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cn1cncn1 ZINC000084596901 JI Annotated Anodyne Cc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000084597137 JI Annotated Clean O=C(O)Cc1cnc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)s1 ZINC000084602219 JI Annotated Anodyne CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C(Cl)=C/c1ccccc1 ZINC000084602268 JI Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)NCCOC)cc1C ZINC000084603148 JI Annotated Clean Cc1cc(NS(C)(=O)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C)s1 ZINC000084603188 JI Annotated Clean Cc1cc(NS(C)(=O)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cc(-n2ccnc2C)cs1 ZINC000084603492 JI Annotated Clean Cc1cc(NS(C)(=O)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C)cc1 ZINC000084603495 JI Annotated Clean Cc1nccn1-c1csc(-c2ccc(CCC(=O)O)n2-c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000084603827 JI Annotated Clean O=C(CC[n+]1ccccc1)Nc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000084604585 JI Annotated Anodyne Cc1cc(NS(C)(=O)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1 ZINC000084614480 JI Annotated Clean Cc1nc(N(C)C)sc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084615040 JI Annotated Anodyne COCC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000084615398 JI Annotated Clean CCOC(=O)c1c(C)sc2c1c(O)nc1c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=N)n12 ZINC000084615622 JI Annotated Mild COc1cc(N[C@@H](C)CCCNC(=O)NCCCC[C@H](N)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000084616209 JI Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NCCCC[C@H](N)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000084616211 JI Annotated Anodyne COc1cc(-c2cn(CC(=O)N(Cc3ccccc3)CC(F)(F)F)nn2)ccc1-n1cnc(C)c1 ZINC000084616399 JI Annotated Anodyne CCCC(=O)N(Cc1ccc(-c2cc(F)ccc2-c2noc(=O)[nH]2)cc1)[C@H](C(=O)O)C(C)C ZINC000084616691 JI Annotated Anodyne Oc1cc(Br)c(Cc2cc(O)c(O)c(Br)c2Br)cc1O ZINC000084617311 JI Annotated Clean O=C(SCCO[N+](=O)[O-])N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000084617522 JI Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc(F)cc3)c(=O)n(C)c3ccccc23)cc1 ZINC000084617617 JI Annotated Anodyne CCC(O)(CC)c1cc(OCCN2CCOCC2)c2cc(-c3n[nH]c4ccsc34)[nH]c2c1 ZINC000084617680 JI Annotated Anodyne CSc1ccccc1Nc1nc(N2CCC(CN(C)C)CC2)nc2c(NCC3CC3)ncnc12 ZINC000084618496 JI Annotated Anodyne CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(C)(=O)=O)n2Cc1cc(F)ccc1F ZINC000084618818 JI Annotated Mild COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COc2ccc3sccc3c2)cc1OC ZINC000084619033 JI Annotated Anodyne O=C(O)C(=O)Nc1ccc(NC(=O)c2cc3ccc([N+](=O)[O-])cc3s2)cc1C(=O)c1ccccc1 ZINC000084632406 JI Annotated Bother O=C(NC1CCCCCC1)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1 ZINC000084632504 JI Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(-c2ccc(Br)cc2)nn1 ZINC000084632901 JI Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(-c2ccc(Br)cc2)nn1 ZINC000084632902 JI Annotated Mild CN(C)CCCNC(=O)c1ccc(/C=C2\CCCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000084633870 JI Annotated Anodyne COc1cc(Br)c(C(=O)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000084635813 JI Annotated Anodyne COCON1C(=O)/C(=C/c2ccc(F)cc2)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000084651984 JI Annotated Anodyne c1cc(-c2nc3ccc(C4=NCCN4)cc3s2)cc(-c2nc3ccc(C4=NCCN4)cc3s2)n1 ZINC000084652414 JI Annotated Anodyne c1cc2nc(-c3cncc(-c4nc5ccc(C6=NCCN6)cc5s4)c3)sc2cc1C1=NCCN1 ZINC000084652416 JI Annotated Anodyne c1cnc(-c2nc3ccc(C4=NCCN4)cc3s2)c(-c2nc3ccc(C4=NCCN4)cc3s2)c1 ZINC000084652418 JI Annotated Anodyne CS(=O)(=O)c1ccc(Cc2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1 ZINC000084652696 JI Annotated Anodyne COc1ccc(-c2c(Br)[nH]c(C(=O)OCCCN(C)C)c2Br)cc1OC ZINC000084652831 JI Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C4CCCC4)nn3c2)c1F ZINC000084652901 JI Annotated Anodyne N#Cc1ccc(C(=O)Cn2cc(CNC(=O)CCN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084652951 JI Annotated Mild COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@H](c2ccc(Cl)cc2)C(C(=O)O)=CN1 ZINC000084653016 JI Annotated Anodyne COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C(=O)O)=CN1 ZINC000084653017 JI Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(-c4ccccc4)nn3c2)c1F ZINC000084653408 JI Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(-c4cccc(F)c4)nn3c2)c1F ZINC000084653409 JI Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(-c4ccc(F)cc4)nn3c2)c1F ZINC000084653410 JI Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3)C[C@@H]1[S@]2=O ZINC000084653422 JI Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3)C[C@@H]1[S@@]2=O ZINC000084653423 JI Annotated Anodyne CN(C)c1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)cc1 ZINC000084653452 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H](/C(=C/c2ccc3c(c2)OCO3)[N+](=O)[O-])c2ccccc2)cc1 ZINC000084653782 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](/C(=C/c2ccc3c(c2)OCO3)[N+](=O)[O-])c2ccccc2)cc1 ZINC000084653783 JI Annotated Anodyne c1cc(-c2nc3ccc(C4=NCCN4)cc3s2)c(-c2nc3ccc(C4=NCCN4)cc3s2)cn1 ZINC000084654000 JI Annotated Anodyne c1cc2nc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5s4)nc3)sc2cc1C1=NCCN1 ZINC000084654001 JI Annotated Anodyne COc1ccc([C@@H]2C(C(=O)O)=CNC(C(OC)OC)=C2C(=O)OC/C=C/c2ccccc2)cc1Cl ZINC000084654148 JI Annotated Anodyne COc1ccc([C@H]2C(C(=O)O)=CNC(C(OC)OC)=C2C(=O)OC/C=C/c2ccccc2)cc1Cl ZINC000084654149 JI Annotated Anodyne c1cc(-c2nc3ccc(C4=NCCN4)cc3s2)nc(-c2nc3ccc(C4=NCCN4)cc3s2)c1 ZINC000084654629 JI Annotated Anodyne COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)c(C#N)c1 ZINC000084654920 JI Annotated Mild COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(OC(C)C)cc1 ZINC000084668819 JI Annotated Anodyne CSc1ccccc1Nc1nc(N(C)CC2CCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084668866 JI Annotated Anodyne Fc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000084668898 JI Annotated Mild COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cn1 ZINC000084669067 JI Annotated Anodyne O=C(NCc1cn(CSc2ccccc2)nn1)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000084669090 JI Annotated Anodyne CN(C)c1ccc([C@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000084669340 JI Annotated Clean CN(C)c1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000084669341 JI Annotated Clean O=C(NCc1cn(CSc2ccccc2)nn1)Nc1cccc(C(=O)NCCc2ccccc2)c1 ZINC000084669455 JI Annotated Anodyne COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)s1 ZINC000084669761 JI Annotated Anodyne COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1cc2ccccc2o1 ZINC000084669762 JI Annotated Anodyne Cc1c(C(N)=O)sc2nc(N/N=C/c3ccc(Br)cc3)n(Cc3ccccc3)c(=O)c12 ZINC000084670387 JI Annotated Mild Fc1ccc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Br)cc3)n2)cc1 ZINC000084670410 JI Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(OC(=S)n3ccnc3)c(OC)cc3ccnc(c13)CC2 ZINC000084670540 JI Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(OS(=O)(=O)C(F)(F)F)c(OC)cc3ccnc(c13)CC2 ZINC000084670542 JI Annotated Unstable COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc2c(ccn2C)c1 ZINC000084670589 JI Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C[C@@H]1NC(=O)[C@H](CO)NC1=O ZINC000084670617 JI Annotated Mild COc1ccc(/C=C(/[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[N+](=O)[O-])cc1OC ZINC000084670634 JI Annotated Anodyne COc1ccc(/C=C(/[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[N+](=O)[O-])cc1OC ZINC000084670635 JI Annotated Anodyne O=[N+]([O-])c1ccc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Br)cc3)n2)cc1 ZINC000084670810 JI Annotated Mild CN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000084670813 JI Annotated Anodyne O=[N+]([O-])c1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000084670912 JI Annotated Mild Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000084671629 JI Annotated Anodyne Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2Cl)cc1 ZINC000084671886 JI Annotated Anodyne COc1cccc([C@H]2O[C@H](CCn3nnc(C(=O)O)n3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084671939 JI Annotated Anodyne COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCNCC(C)(C)C)c3)nc2)cn1 ZINC000084672051 JI Annotated Anodyne CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-c5cncc6ccccc56)c4)[nH]c3n2)CC1 ZINC000084672344 JI Annotated Anodyne CCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084687213 JI Annotated Mild CCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084687214 JI Annotated Mild C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@@]2(COCOC)[C@@H](OC(=O)NC(C)C)CC(C)=C[C@H]2C1 ZINC000084687496 JI Annotated Mild Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000084688039 JI Annotated Anodyne CC(=O)NCCN[C@H](C)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 ZINC000084688208 JI Annotated Anodyne CC(=O)NCCN[C@@H](C)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 ZINC000084688209 JI Annotated Anodyne CN(C)CCCNC(=O)c1ccc2[nH]c(=O)c3sc4cc(Br)ccc4c3c2c1 ZINC000084689579 JI Annotated Bother CN(Cc1ccccc1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F ZINC000084690137 JI Annotated Bother CC1CCN(C(=O)c2sc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)nc2C(F)(F)F)CC1 ZINC000084690138 JI Annotated Bother [N-]=[N+]=NCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)CS1 ZINC000084690344 JI Annotated Clean COC(=O)[C@H](N)Cc1cn(C2=C(C)C(=O)C(O)=C([C@H](C)CCC=C(C)C)C2=O)c2ccccc12 ZINC000084690413 JI Annotated Mild CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)c(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000084690548 JI Annotated Bother O=[N+]([O-])c1cc(/C(O)=N/C(=N/O)N/N=C/c2c3ccccc3cc3ccccc23)cc([N+](=O)[O-])c1 ZINC000084690582 JI Annotated Mild Cn1cc(-c2sc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)O)nn1 ZINC000084707691 JI Annotated Anodyne Cc1ccc(-[n+]2noc(O)c2/C=N/n2c(S)nnc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000084708522 JI Annotated Mild Cc1ccc(-[n+]2noc(O)c2/C=N/n2c(S)nnc2[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000084708526 JI Annotated Mild Cc1cccc(OCc2cc(=O)n3c(c2-c2ccc4c(c2)OCO4)SC[C@H]3C(=O)O)c1C ZINC000084708944 JI Annotated Anodyne O[C@](CN(CCCOc1ccccc1)Cc1ccccc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084709225 JI Annotated Anodyne O[C@@](CN(CCCOc1ccccc1)Cc1ccccc1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084709227 JI Annotated Anodyne COc1cccc([C@H]2O[C@H](CC(=O)NCCC(=O)O)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084711389 JI Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)C1=CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O ZINC000084711701 JI Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(Br)cc2)C(=O)N(c2ccc(Br)cc2)C1 ZINC000084712752 JI Annotated Anodyne C[C@H]1CCC=C2C(=O)C=C([C@]3(CO)CC[C@@](O)(CO)C4=C3C(=O)C3=CCC[C@H](C)[C@@]3(C)C4)C[C@@]21C ZINC000084722686 JI Annotated Mild C[C@H]1CCC=C2C(=O)C=C([C@]3(CO)CC[C@](O)(CO)C4=C3C(=O)C3=CCC[C@H](C)[C@@]3(C)C4)C[C@@]21C ZINC000084722689 JI Annotated Mild O=C1O[C@H](OCCCOP(=O)(Oc2ccccc2)Oc2ccccc2)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12 ZINC000084723247 JI Annotated Anodyne CCCC[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H]([C@](C)(O)C(=O)O)CC[C@]4(C)[C@H]3C2)C1=O ZINC000084724030 JI Annotated Mild CCCC[C@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H]([C@](C)(O)C(=O)O)CC[C@]4(C)[C@H]3C2)C1=O ZINC000084724033 JI Annotated Mild CCCC[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H]([C@@](C)(O)C(=O)O)CC[C@]4(C)[C@H]3C2)C1=O ZINC000084724038 JI Annotated Mild CCCC[C@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H]([C@@](C)(O)C(=O)O)CC[C@]4(C)[C@H]3C2)C1=O ZINC000084724041 JI Annotated Mild Cc1c(C(N)=O)sc2nc(-n3nc(-c4ccc(Cl)cc4)cc3N)n(Cc3ccccc3)c(=O)c12 ZINC000084725052 JI Annotated Anodyne Cc1cc(-c2ccccc2)nn1C(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@H]21 ZINC000084726363 JI Annotated Anodyne Cc1cc(-c2ccccc2)nn1C(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 ZINC000084726367 JI Annotated Anodyne Cc1c(C(N)=O)sc2c1C(=O)N(Cc1ccccc1)C1=NN=C(c3ccc(Cl)cc3)CN12 ZINC000084727698 JI Annotated Anodyne COCON1C(=O)/C(=C/c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000084728017 JI Annotated Anodyne COc1ccc2c(Cc3cc(=O)n4c(c3-c3cccs3)SC[C@H]4C(=O)O)cc(=O)oc2c1 ZINC000084728450 JI Annotated Anodyne COc1cc(-c2ccc(-c3cn(Cc4ccc(C(=O)O)cc4[N+](=O)[O-])nn3)cc2)cc(OC)c1OC ZINC000084729122 JI Annotated Bother O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1c(F)c(F)c(F)c(F)c1F ZINC000084731535 JI Annotated Clean CN(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(Cl)sc12 ZINC000084731594 JI Annotated Anodyne CN(C)C(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(Cl)sc12 ZINC000084731597 JI Annotated Anodyne COc1cc(/C=C/C(=O)OCc2cccc(OCc3c(-c4ccccc4)no[n+]3[O-])c2)ccc1O ZINC000084732827 JI Annotated Anodyne C(=N/Nc1nc(N2CCOCC2)c2sccc2n1)\c1nc2ccccc2n1Cc1ccccc1 ZINC000084733250 JI Annotated Mild COc1cc(/C=C2/C(C)=C(CC(=O)NCCN(C)C)c3cc(F)ccc32)cc(OC)c1OC ZINC000084733921 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000084738986 JI Annotated Mild CN(C)C(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000084739538 JI Annotated Anodyne CN(C)C(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000084739539 JI Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4ccc5c(c4)OCO5)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000084740099 JI Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4ccc5c(c4)OCO5)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000084740100 JI Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4ccc(O)cc4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000084740204 JI Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4ccc(O)cc4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000084740207 JI Annotated Mild CS(=O)(=O)Nn1c(Sc2ccc(F)cc2F)nc2sc(-c3ccccc3)cc2c1=O ZINC000084740368 JI Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4ccc(O)cc4O)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000084740637 JI Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4ccc(O)cc4O)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000084740642 JI Annotated Mild C/C=C/C(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)/C=C/C)cc(OC)c3c1OCO3)OCO2 ZINC000084741018 JI Annotated Anodyne CC(C)[C@H]1CN([C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]5[C@@H]4CC[C@H]3C2=O)C1=O ZINC000084741095 JI Annotated Anodyne CC(C)=C1CN([C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]5[C@@H]4CC[C@H]3[C@H]2O)C1=O ZINC000084741128 JI Annotated Anodyne Cc1oc(=O)oc1COC(=O)C(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000084741399 JI Annotated Anodyne CN(C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1 ZINC000084742545 JI Annotated Anodyne CN(C(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1 ZINC000084742548 JI Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](CC(C)C)NC2=NC(=O)/C(=C/c3ccccc3F)S2)cc1 ZINC000084757542 JI Annotated Mild Cc1ccc(C(=O)Cn2cc(CNC(=O)CN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084757734 JI Annotated Anodyne COc1ccc(C(=O)Cn2cc(CNC(=O)CN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084758001 JI Annotated Anodyne O=C(CN1c2ccccc2Sc2ccccc21)NCc1cn(CC(=O)c2ccc(F)cc2)nn1 ZINC000084758005 JI Annotated Anodyne N#Cc1ccc(C(=O)Cn2cc(COC(=O)CN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084758329 JI Annotated Mild Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4)C[C@@H]2[S@]3=O)ccc1O ZINC000084758525 JI Annotated Anodyne Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4)C[C@@H]2[S@@]3=O)ccc1O ZINC000084758526 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000084758731 JI Annotated Mild COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C(=O)C(F)(F)F)C=C2 ZINC000084758742 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC=C3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000084758898 JI Annotated Anodyne O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-c3ncccn3)cc1)C2 ZINC000084759218 JI Annotated Anodyne CSc1ccccc1Nc1nc(N2[C@H]3CC[C@@H]2CC(N)C3)nc2c(NCC3CC3)ncnc12 ZINC000084759625 JI Annotated Anodyne COCCN(C(=O)c1ccco1)[C@@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000084884074 JI Annotated Anodyne COCCN(C(=O)c1ccco1)[C@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000084884075 JI Annotated Anodyne COCCN(C(=O)c1ccco1)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000084884076 JI Annotated Anodyne COCCN(C(=O)c1ccco1)[C@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000084884077 JI Annotated Anodyne COc1ccc(C(=O)c2cc(C)cn2C/C=C/c2ccc(Cl)cc2C(=O)NS(C)(=O)=O)cc1 ZINC000008576193 JI Annotated Anodyne COc1ccc(-c2ccc3c(n2)CCCN3C[C@@H](O)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000008582439 JI Annotated Anodyne Cc1cccc2cc(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(O)nc12 ZINC000008582567 JI Annotated Anodyne Cc1cccc2cc(CN(C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(O)nc12 ZINC000008582568 JI Annotated Anodyne Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1 ZINC000008583466 JI Annotated Anodyne CC[C@H](Sc1nc2[nH]nc(C)c2c(=N)n1-c1ccc(Br)cc1)C(=O)N(CC)CC ZINC000008583962 JI Annotated Anodyne CC[C@@H](Sc1nc2[nH]nc(C)c2c(=N)n1-c1ccc(Br)cc1)C(=O)N(CC)CC ZINC000008583963 JI Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(C)c3)c21 ZINC000008586026 JI Annotated Anodyne CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1c(=O)c(-c2ccccc2NC(C)=O)nc2ccccc21 ZINC000008587206 JI Annotated Mild CC[C@H](C(=O)Nc1cccc(C#N)c1)n1c(=O)c(-c2ccccc2NC(C)=O)nc2ccccc21 ZINC000008587207 JI Annotated Mild CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3C)C2)cc1 ZINC000008588983 JI Annotated Anodyne COc1ccc(OC)c(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4cccc(Cl)c4C)c32)c1 ZINC000008589091 JI Annotated Anodyne COc1ccc(OC)c([C@H](C)NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4ccc(C)cc4)c32)c1 ZINC000008589093 JI Annotated Anodyne COc1ccc(OC)c([C@@H](C)NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4ccc(C)cc4)c32)c1 ZINC000008589094 JI Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3cccc(CC)c3)c21 ZINC000008591796 JI Annotated Anodyne COC(=O)c1cc2c(cc1NC(=O)c1c(C)nn(-c3ccc(C)cc3)c1-n1cccc1)OCO2 ZINC000008592167 JI Annotated Anodyne Cc1ccc(CN2C(=O)[C@]3(c4ccccc42)N(c2ccc(C)c(Cl)c2)C(=O)CS3(=O)=O)cc1 ZINC000008592336 JI Annotated Anodyne Cc1ccc(CN2C(=O)[C@@]3(c4ccccc42)N(c2ccc(C)c(Cl)c2)C(=O)CS3(=O)=O)cc1 ZINC000008592337 JI Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)[C@H](NS(=O)(=O)c2cccs2)c2ccccc2)c1 ZINC000008592797 JI Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)c2ccccc2)c1 ZINC000008592798 JI Annotated Anodyne CC[C@@H](C(=O)Nc1cc(F)ccc1F)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000008593467 JI Annotated Anodyne CC[C@H](C(=O)Nc1cc(F)ccc1F)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000008593468 JI Annotated Anodyne COc1cccc(CNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)c1OC ZINC000008594835 JI Annotated Anodyne COc1cc(Cl)c(C)cc1NC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000008595957 JI Annotated Anodyne COc1ccc(-n2nc(C(=O)N3CCC[C@@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000008596317 JI Annotated Anodyne COc1ccc(-n2nc(C(=O)N3CCC[C@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000008596318 JI Annotated Anodyne COc1ccc(-n2nc(C(=O)N3CCCCC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000008596338 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCOCC3)cnn2-c2ccccc2Cl)CC1 ZINC000008596547 JI Annotated Anodyne COc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)noc1C ZINC000008596983 JI Annotated Anodyne COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1Cl ZINC000008597045 JI Annotated Anodyne CCN1C(=O)c2ccccc2S(=O)(=O)c2ccc(C(=O)NCc3ccccc3Cl)cc21 ZINC000008597309 JI Annotated Anodyne Cc1cccc(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)N4CCCC4)cc32)c1 ZINC000008597361 JI Annotated Anodyne O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCCC1 ZINC000008597875 JI Annotated Anodyne COCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O ZINC000008597921 JI Annotated Anodyne COCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@@]2=O ZINC000008597923 JI Annotated Anodyne COc1ccc(NC(=O)c2ccc3oc(=O)c(S(=O)(=O)c4ccc(F)cc4)cc3c2)c(OC)c1 ZINC000008598886 JI Annotated Anodyne Cc1cc(C)cc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000008599147 JI Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(C(C)C)cc1 ZINC000008603446 JI Annotated Anodyne Cc1ccc(S(=O)(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000008603848 JI Annotated Anodyne COc1ccc(-n2c(=O)c3sc4ccccc4c3n(CC(=O)Nc3ccccc3F)c2=O)cc1 ZINC000008603954 JI Annotated Anodyne COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(Cl)c3C)c21 ZINC000008604080 JI Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4ccc(CC)cc4)c32)cc1 ZINC000008604354 JI Annotated Anodyne COc1cc(OC)c(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4ccc(C)cc4)c32)cc1Cl ZINC000008604465 JI Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCc4ccc(OC(C)C)cc4)c32)cc1 ZINC000008604618 JI Annotated Anodyne CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3Cc2cccc(C(F)(F)F)c2)C1 ZINC000008604658 JI Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4cc5sccc5n4C)C3)CC2)c1C ZINC000008605227 JI Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4cc5sccc5n4C)C3)CC2)c1C ZINC000008605229 JI Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@@H](C)C(=O)NCCc3ccc(OC)c(OC)c3)c21 ZINC000008605259 JI Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@H](C)C(=O)NCCc3ccc(OC)c(OC)c3)c21 ZINC000008605261 JI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccc(C)c(Cl)c1)n2C ZINC000008608084 JI Annotated Anodyne CCOc1ccccc1NC(=O)CSc1nc2ccccc2c2nc(CCn3cncc3C)nn12 ZINC000008609669 JI Annotated Anodyne CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008611442 JI Annotated Anodyne CC[C@H](C(=O)Nc1ccccc1C(=O)OC)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008611443 JI Annotated Anodyne Cc1cccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)c5ccc(C(C)(C)C)cc5)C4)nc32)c1 ZINC000008612546 JI Annotated Anodyne Cc1cccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5ccc(C(C)(C)C)cc5)C4)nc32)c1 ZINC000008612548 JI Annotated Anodyne CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000008627031 JI Annotated Mild COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccco1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000008661281 JI Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CC/N=C(\O)c1cc(O)nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc12 ZINC000008662129 JI Annotated Mild CN(c1ccccc1)c1ccc(/C=c2/s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1 ZINC000008666210 JI Annotated Mild Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1 ZINC000008670407 JI Annotated Reactive C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000008671282 JI Annotated Reactive Cc1c(C(=O)NC[C@@H]2COc3ccccc3O2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 ZINC000008671402 JI Annotated Anodyne aggregator CCOC(=O)c1c(NC(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)sc(C(C)=O)c1C ZINC000008672011 JI Annotated Anodyne Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008674192 JI Annotated Anodyne Cc1nc(C)c(C(=O)N2CCC(c3nc(C(=O)N(CCC#N)Cc4ccco4)cs3)CC2)s1 ZINC000008677707 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000008680169 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000008680170 JI Annotated Anodyne Cc1cccc(C(=O)N2CCC(=O)N([C@H](COCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000008680197 JI Annotated Anodyne Cc1cccc(C(=O)N2CCC(=O)N([C@@H](COCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000008680198 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC000008680219 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC000008680220 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3cccc(Cl)c3)C(C)C)CC2)cc1 ZINC000008680223 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3cccc(Cl)c3)C(C)C)CC2)cc1 ZINC000008680224 JI Annotated Anodyne COc1ccccc1[C@@H]1C(c2cccc(C)c2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O ZINC000008680270 JI Annotated Anodyne aggregator Cc1c(C(=O)NC[C@H]2COc3ccccc3O2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 ZINC000008680450 JI Annotated Anodyne aggregator C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@@H]1C[C@@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@]21C ZINC000008681192 JI Annotated Mild C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]13O[C@@H]1C[C@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@]21C ZINC000008681193 JI Annotated Mild COC(=O)[C@@H](NC(=O)O[C@@H]1C(=O)c2ccc(OC)cc2O[C@H]1c1cccc(C(F)(F)F)c1)C(C)C ZINC000008681896 JI Annotated Anodyne O=C(NCc1ccco1)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccc2c(c1)OCO2 ZINC000008682032 JI Annotated Anodyne COC(=O)C1=C(C)[C@H](O)[C@@H](C)[C@](C)(c2cc(OC)c(C)c(OC)c2COc2ccccc2)O1 ZINC000008682207 JI Annotated Anodyne COC(=O)c1ccccc1C[C@]1(C(=O)OC)C=C[C@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000008682231 JI Annotated Anodyne Cc1ccc(C)c(OCCn2c(=O)c3c(ncn3C3CCCC3)n(Cc3ccccc3)c2=O)c1 ZINC000008685230 JI Annotated Anodyne O=C(O)/C(=C\c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000008685590 JI Annotated Anodyne CC(/C=C/c1ccc(N(C)C)cc1)=N\NC1=NC(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S1 ZINC000008685930 JI Annotated Mild CC(/C=C/c1ccc(N(C)C)cc1)=N\NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S1 ZINC000008685931 JI Annotated Mild COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 ZINC000008686033 JI Annotated Mild NC1=C(c2ccccc2)C(=O)CN1c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000008686516 JI Annotated Mild COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3cccs3)ccc2N2CCOCC2)cc1 ZINC000008686915 JI Annotated Anodyne aggregator CN(C)S(=O)(=O)c1cccc(N/C(S)=N\N=C\C(c2ccccc2)c2ccccc2)c1 ZINC000008688001 JI Annotated Mild CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3c(C)nn(-c4ccc(C)c(C)c4)c3O)cc2)s1 ZINC000008690289 JI Annotated Mild CCOc1ccc(N(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000008690328 JI Annotated Anodyne CCOc1ccc(N(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000008690329 JI Annotated Anodyne COCC/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1/N=C/c1c(C)[nH]c2ccccc12 ZINC000008690558 JI Annotated Mild CCOC(=O)C(C)(C)N(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008690912 JI Annotated Bother Cc1cc(C)cc(NC(=S)/N=N\c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000008690916 JI Annotated Clean CCc1ccccc1/N=C(S)\N=N\c1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000008690918 JI Annotated Mild Cc1ccc(NC(=S)/N=N\c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1C ZINC000008690920 JI Annotated Clean Cc1cccc(C)c1/N=C(S)\N=N\c1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000008690921 JI Annotated Mild COc1ccccc1N/C(S)=N/N=C/c1c[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000008690932 JI Annotated Mild CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccs3)o2)c1 ZINC000008693826 JI Annotated Anodyne Cn1cnnc1SCc1ccc(C(=O)N/N=C(\CCC(=O)O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008693925 JI Annotated Reactive Cc1cc2cc(CN(Cc3nnnn3C3CCCCC3)C[C@@H]3CCCO3)c(O)nc2cc1C ZINC000008716788 JI Annotated Anodyne Cc1cc2cc(CN(Cc3nnnn3C3CCCCC3)C[C@H]3CCCO3)c(O)nc2cc1C ZINC000008716789 JI Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1sc2ccccc2c1Cl ZINC000008778418 JI Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1sc2ccccc2c1Cl ZINC000008778419 JI Annotated Anodyne COc1ccccc1[C@@H]1C(c2ccc(F)cc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O ZINC000008801909 JI Annotated Anodyne aggregator CN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC3=CCCCC3)c2c1 ZINC000008811323 JI Annotated Anodyne c1ccc(-n2nnnc2S[C@@H]2CC[C@@H]3S[C@H]2CC[C@H]3Sc2nnnn2-c2ccccc2)cc1 ZINC000008815709 JI Annotated Anodyne c1ccc(-n2nnnc2S[C@H]2CC[C@@H]3S[C@H]2CC[C@H]3Sc2nnnn2-c2ccccc2)cc1 ZINC000008815710 JI Annotated Anodyne COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC(=O)c4cccs4)c3)C2=O)cc1Cl ZINC000008829809 JI Annotated Clean O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(Cl)cc1Cl ZINC000008855211 JI Annotated Anodyne COc1ccc(C2=CC3=C(Br)C(=O)[C@@](C)(OC(=O)c4cccs4)C(=O)C3=CO2)cc1 ZINC000008860634 JI Annotated Mild COc1ccc(C2=CC3=C(Br)C(=O)[C@](C)(OC(=O)c4cccs4)C(=O)C3=CO2)cc1 ZINC000008860635 JI Annotated Mild COc1ccc(C2=CC3=C(Br)C(=O)[C@@](C)(OC(=O)C4CCCC4)C(=O)C3=CO2)cc1 ZINC000008860644 JI Annotated Mild COc1ccc(C2=CC3=C(Br)C(=O)[C@](C)(OC(=O)C4CCCC4)C(=O)C3=CO2)cc1 ZINC000008860645 JI Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000008860646 JI Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000008860647 JI Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 ZINC000008860716 JI Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 ZINC000008860717 JI Annotated Mild CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCC4CCC(C(=O)O)CC4)c12)OC(C)(C)CC3 ZINC000008877546 JI Annotated Anodyne Cn1c(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)nc2ccccc21 ZINC000008913675 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 ZINC000008933632 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000008933633 JI Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000008933634 JI Annotated Anodyne CCCC[C@H](O)[C@H](O)/C=C/C(Cc1cccc(O)c1)=C(/CCCCCCCC(=O)O)C[C@H](O)CO ZINC000085490852 JI Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C=C(/CCCC[C@@H]1N[C@H](C)CCC[C@H]1CC(=O)O)C[C@H](O)CO ZINC000085490879 JI Annotated Anodyne in-vitro biogenic CNCCC(=O)O/C=C1\CC[C@H]2[C@@H](C(=O)C[C@@H]3C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]23C)[C@H]1C ZINC000085491537 JI Annotated Anodyne in-vitro biogenic CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@](C)(CC[C@H]5[C@]4(C)CC[C@@H](O)[C@@]5(C)CO)CC3=CC(=O)[C@@H]12 ZINC000085511722 JI Annotated Mild in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@@H](O)[C@H](O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N13 ZINC000085511852 JI Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@H]4C=CC[C@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532418 JI Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CCCC(C)C)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532494 JI Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)CCC(C)C)N4C3)[C@H]2[C@@H]1C ZINC000085532598 JI Annotated Anodyne in-vitro biogenic C[C@]12C#CCCC(=O)O[C@H](C1)[C@]13C4=CO[C@@]2(CCC2=CC(=O)OC2)[C@@]1(C)[C@@H](O)CC[C@@]3(C)CCC4 ZINC000085542316 JI Annotated Mild in-vitro biogenic C[C@@]1(C2CCCCC2)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 ZINC000085542361 JI Annotated Mild in-vitro biogenic C[C@@]1(C2CCCC2)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 ZINC000085542400 JI Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=CC[C@]3([C@@H]1[C@](C)(C1CCCC1)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542439 JI Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000085542460 JI Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc2c1C[C@H]1CCC[C@@H](C1)[C@@]13C[C@H]4CCC[C@@](C)(O1)[C@H]4[C@@](N)(CCO)[C@@H]3C#CC2 ZINC000085543091 JI Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1[C@H]1C=C[C@H]2C#C[C@H]2[C@](N)(CCO)[C@H]3CC[C@@]2(OC3(C)C)[C@H]2CCC[C@@H]1C2 ZINC000085543092 JI Annotated Mild in-vitro biogenic CCCNCc1cc(O)cc2c1C[C@@H]1CCC[C@@H](C1)[C@@]13CC[C@@H](C(C)(C)O1)[C@](N)(CCO)[C@H]3C#CC2 ZINC000085543116 JI Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)[C@H]3CCC[C@]1(C)[C@@]3(C(=O)CCc1cccc(-c3cccc(O)c3)c1)[C@@]2(O)OC ZINC000085546298 JI Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(CCC4(O)CCCCC4)c3)(C1(C)C)[C@@]2(O)OC ZINC000085546302 JI Annotated Mild in-vitro biogenic C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)/C=C/C=C/C)=C(O)C(C)=C(O)[C@@]3(C)O[C@@]2(O)[C@@](C)(O)C1 ZINC000085547387 JI Annotated Mild O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H]([C@@H]3CC[C@H]4C[C@@H](O)C5(CCCC5)[C@@H]4N3)[C@@]3(O)CN23)cc1 ZINC000085547713 JI Annotated Anodyne in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(N)=N3 ZINC000085549420 JI Annotated Reactive in-vitro biogenic C[C@@H]1[C@]2(CO)CC[C@@H]3C4=C5CCC[C@]6(CCNC(N)=N6)CSSCC[C@@](C)([C@@H]3C2)[C@]41CC5=O ZINC000085549464 JI Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549488 JI Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCO)[C@@]42CC3=O ZINC000085549555 JI Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCCO)[C@@]42CC3=O ZINC000085549558 JI Annotated Reactive in-vitro biogenic CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000085557284 JI Annotated Anodyne COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O)c(c2-5)CN4)cc(OC)c1O ZINC000085567608 JI Annotated Clean in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O)c(c2-5)CC4)cc(OC)c1O ZINC000085567630 JI Annotated Anodyne in-vitro biogenic CNCO[C@@H]1Cc2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H]1c1ccc(O)c(OC)c1 ZINC000085568222 JI Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(OCCO)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569396 JI Annotated Anodyne in-vitro biogenic O=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc(O)c3c(c12)O[C@H](CCO)CC3 ZINC000085569457 JI Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3C=C4C(=O)O/C(=C\CCC)[C@]4([C@@H]21)[C@@H](CCN=C(N)N)C3 ZINC000085571243 JI Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H](CNC(=N)NC)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592346 JI Annotated Mild in-vitro biogenic C/C(=C\C[C@@]12O[C@]1(C(=O)OC1CCCCC1)C(=O)c1ccccc1C2=O)CCc1ccnc(N)c1 ZINC000085592738 JI Annotated Clean in-vitro biogenic C/C(=C\C[C@@]12O[C@]1(C(=O)OC1CCCC1)C(=O)c1ccccc1C2=O)CCc1ccnc(N)c1 ZINC000085592740 JI Annotated Clean in-vitro biogenic COCCC[C@@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@H]1O ZINC000085592965 JI Annotated Anodyne in-vitro biogenic CCc1ccc(Cc2cc(OC)cc3c2OC[C@H]([C@@H]2COc4ccc(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592986 JI Annotated Anodyne in-vitro biogenic COc1cc(Cc2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc4c(c3[C@@H]1O)CCCO4)CO2 ZINC000085592995 JI Annotated Anodyne in-vitro biogenic C[C@@]1(CC2CCCCC2)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593551 JI Annotated Anodyne in-vitro biogenic CCCCCC[C@]1(C)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593566 JI Annotated Anodyne in-vitro biogenic C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc([C@H](O)Cc4ccccc4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593577 JI Annotated Clean in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)c(Cc4ccc(NO)cc4)c(=O)c3c2OC2CCCC2)O1 ZINC000085594433 JI Annotated Anodyne in-vitro biogenic C/C=C(\CCO)C(=O)O[C@]1(C)CCC[C@@H](c2ccnc(N)c2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594668 JI Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@@H](c2ccnc(N)c2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594674 JI Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@]1(C)CC=C[C@@H](c2ccc(N)nc2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594677 JI Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\C[n+]2cc[nH]c2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 ZINC000085594995 JI Annotated Anodyne in-vitro biogenic CCCOc1c2c(cc3c1C(=C1CCC(=O)CC1)C=C(C(=O)OCC)O3)O[C@H](C(C)(C)O)C2 ZINC000085595033 JI Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\CC(C)C)c2c(cc3c(c2OC)C[C@@H]([C@](C)(O)C2CCNCC2)O3)O1 ZINC000085595035 JI Annotated Anodyne in-vitro biogenic CCCCCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2OC)/C(=C/C[n+]2cc[nH]c2)C=C(C(=O)OCC)O3)O1 ZINC000085595041 JI Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\CC(C)C)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)CCCCO)O3)O1 ZINC000085595047 JI Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(CCc3ccccc3)c3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595308 JI Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(Cc3ccccc3)c3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595310 JI Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C#CCc3cc(O)c(OC)cc3CC[C@H](OC(C)=O)C[C@@H](OC(C)=O)C2)ccc1O ZINC000085595526 JI Annotated Mild in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@H]3Cc4cc(OC)c(O)cc4C[C@H]3C2)ccc1O ZINC000085595528 JI Annotated Anodyne in-vitro biogenic COc1cc(CC[C@@H](C[C@@H](OC(C)=O)[C@@H]2CCc3cc(O)c(OC)cc3C2)OC(C)=O)ccc1O ZINC000085595549 JI Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](O)C[C@H](CCc2ccc(O)c(OC3CCCC3)c2)OCO)cc(OC)c1O ZINC000085595718 JI Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)c(OC3CCCC3)c2)cc(OC)c1O ZINC000085595756 JI Annotated Anodyne in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)cc4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596374 JI Annotated Clean in-vitro biogenic CCCCC[C@H](C[C@@H](OC(C)=O)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)OC(C)=O ZINC000085596851 JI Annotated Anodyne in-vitro biogenic CNCO[C@H](CCCO)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc2ccc(O)cc2c1 ZINC000085597460 JI Annotated Anodyne in-vitro biogenic CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N)[C@H]3O)[C@@H]2C)CC=C1C ZINC000085599469 JI Annotated Anodyne [C-]#[N+][C@]12[C@H]3O[C@H]3C(C)(C)C3=Nc4cccc5c4[C@]3(O)[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C ZINC000085599932 JI Annotated Reactive O[C@H]1[C@H](O)CO[C@@H](n2c3ccc(Cl)cc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@@H]1O ZINC000085599963 JI Annotated Bother [C-]#[N+][C@]12[C@@H](O)[C@H](O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C ZINC000085601136 JI Annotated Reactive CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C([C@H](C)CNC[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624346 JI Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C([C@H](C)CNC[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624361 JI Annotated Mild in-vitro biogenic CC[C@H]1C[C@H](CO)[C@H](C2=C[CH+]N=C2)[C@@H]([C@H](CC(=O)CCc2ccc(O)c(OC)c2)OC(C)=O)C1 ZINC000085624615 JI Annotated Mild in-vitro biogenic CCCC[C@H](CC1=C[CH+]N=C1)[C@H](CC(=O)CCc1cc(OC)c(O)cc1CNC)OC(C)=O ZINC000085624683 JI Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1cc(OC)c(O)cc1CNC)OC(C)=O)CC1=C[CH+]N=C1 ZINC000085624711 JI Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(C[C@H](CCCN=C(N)N)COC)c(O)c(OC2CCCC2)c1 ZINC000085625114 JI Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)ccc1O ZINC000085625595 JI Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CCc2ccc(O)c(O)c2)c(CO)cc1O ZINC000085626210 JI Annotated Clean in-vitro biogenic COc1cc([C@H](CCC(C)C)CC(=O)C[C@H](O)CCc2ccc(O)c(O)c2)c(CO)cc1O ZINC000085626251 JI Annotated Clean in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc3c4c(c1O)OCC[C@H]4CCC[C@H]3C[C@@H](O)CC(=O)CC2 ZINC000085626671 JI Annotated Mild in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(cc(OC3CCCC3)c1O)CC[C@@H](O)CC(=O)CC2 ZINC000085626689 JI Annotated Mild in-vitro biogenic CNCOc1ccc(CC[C@@H](O)CC(=O)CCc2ccc(O)c(OC)c2)cc1OC1CCCC1 ZINC000085626729 JI Annotated Anodyne in-vitro biogenic CCCC[C@H]1CC[C@](CCc2cc(CN3CCCC3=O)c(O)c(OC)c2)(OC(C)=O)C[C@H]1O ZINC000085627672 JI Annotated Clean in-vitro biogenic CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)CNC(=N)NC1CCCCC1 ZINC000085628423 JI Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](O)CCCCCCC2=c3ccccc3=N[CH+]2)OC(C)=O)ccc1O ZINC000085628508 JI Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(CCCOC)C3=C2)c1 ZINC000085629216 JI Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CCCCC[C@H](CO)C2)OC(C)=O)ccc1O ZINC000085629481 JI Annotated Anodyne in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1ccc(N)nc1 ZINC000085630672 JI Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1ccc(N)nc1 ZINC000085630696 JI Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@@H]2CC[C@@H]([C@H]3CC[C@H]4[C@H](CN[C@@H]5CC(=O)CC[C@H]45)C3)C[C@H]2O)ccc1O ZINC000085631294 JI Annotated Anodyne in-vitro biogenic CCc1cc(O)c(OC)cc1CCC(=O)[C@H]1CC[C@H](CC[C@@H]2CN[C@@H]3CC(=O)CC[C@@H]3C2)C[C@H]1O ZINC000085631300 JI Annotated Anodyne in-vitro biogenic CCC[C@H](CO)CC[C@@H]1CC#C[C@@H](c2ccccc2)c2cc(O)c(OC)cc2CCC(=O)[C@@H](O)C1=O ZINC000085631566 JI Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)CCCC2CCCCC2)cc(Cc2ccnc(N)c2)c1O ZINC000085631635 JI Annotated Anodyne in-vitro biogenic C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(O)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)[C@H](OC(=O)CCCCCCC)C[C@@H]1O ZINC000085638724 JI Annotated Mild C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(O)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)[C@H](OC(=O)CCCCCCC)C[C@H]1O ZINC000085638729 JI Annotated Mild CC(C)(O)[C@@H]1C[C@@H](O)[C@]2(CO)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 ZINC000085639080 JI Annotated Anodyne CC[C@@H](C)/C=C(\C)C[C@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21 ZINC000085643405 JI Annotated Mild CC(C)C1=C2[C@H]3C[C@H]4O[C@](O)(C=C4COC(=O)c4ccccc4)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000085646368 JI Annotated Anodyne CC(=O)CC[C@H]1C(C)(C)CCC[C@@]1(C)C(=O)CC[C@@H](C)CC(=O)OC[C@H](O)COC(C)=O ZINC000085648256 JI Annotated Anodyne C#CC(=O)/C=C/CCCCCCC#C[C@@H](O)/C=C\[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000085772672 JI Annotated Mild COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000085810308 JI Annotated Anodyne in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000085810310 JI Annotated Anodyne in-man COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000085810313 JI Annotated Anodyne in-man COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000085810315 JI Annotated Anodyne in-man CCCCCC[C@H](C)C(=O)C1=C2C3=COC(C4=C(C)C[C@H](O)CC4=O)=CC3=CC(=O)[C@]2(C)OC1=O ZINC000085908163 JI Annotated Mild CCCCCCC[C@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@H](O)CCC2=O)OC ZINC000085949224 JI Annotated Mild COc1cc2c(cc1OC)[C@H]1C[C@@H](C[C@H]3CCCCN31)OC(=O)C[C@H](O)c1ccc(O)c-2c1 ZINC000085981409 JI Annotated Anodyne COc1cc2c(cc1O)CCn1c-2c(-c2ccc(O)c(O)c2)c2c3cc(O)c(O)cc3oc(=O)c21 ZINC000085994989 JI Annotated Clean C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]12C ZINC000086010699 JI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000086010702 JI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]12C ZINC000086010703 JI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000086010704 JI Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]12C ZINC000086010751 JI Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000086010752 JI Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]12C ZINC000086010755 JI Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000086010757 JI Annotated Anodyne in-man COc1cc(-c2ccc(C3=NN=C4c5ccc(C(=O)NC6CCC(O)CC6)cc5C[C@H]34)cc2)ccc1O ZINC000087612880 JI Annotated Anodyne COc1cc(-c2ccc(C3=NN=C4c5ccc(C(=O)NC6CCC(O)CC6)cc5C[C@@H]34)cc2)ccc1O ZINC000087612881 JI Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)CCCF)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260601 JI Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)CCCF)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260602 JI Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)CCCF)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260603 JI Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)CCCF)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260604 JI Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260676 JI Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260677 JI Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260678 JI Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260679 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N1CCC1)CC2 ZINC000088261181 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N1CCC1)CC2 ZINC000088261182 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N1CCC1)CC2 ZINC000088261183 JI Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N1CCC1)CC2 ZINC000088261184 JI Annotated Anodyne COc1c(OCCF)cccc1/C(=N/OCCN(C)C)C1CCN(CCc2ccc(F)cc2)CC1 ZINC000089455013 JI Annotated Mild NCc1ccc(C2=C(C3=CN=C(C(=O)NCc4ccc5c(c4)CCO5)C3)N=NC2)cc1C(F)(F)F ZINC000089469255 JI Annotated Anodyne O=C1N[C@@H]2CS[C@@H](CCCCCc3cn(CCCOc4ccc5ccccc5c4)nn3)[C@H]2N1 ZINC000089469576 JI Annotated Anodyne O=C1N[C@@H]2CS[C@@H](CCCCCc3cn(CCCOc4ccc5ccccc5c4)nn3)[C@@H]2N1 ZINC000089469578 JI Annotated Anodyne O=C1N[C@@H]2[C@H](CCCCCc3cn(CCCOc4ccc5ccccc5c4)nn3)SC[C@@H]2N1 ZINC000089469579 JI Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N[C@@H](C)c4cc(OC)ccc4OC)c32)cc1 ZINC000009115944 JI Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N[C@H](C)c4cc(OC)ccc4OC)c32)cc1 ZINC000009115945 JI Annotated Anodyne O=C(O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)c(CN3CCOCC3)c(=O)n21 ZINC000009132740 JI Annotated Anodyne C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@@H](O)C(C)(C)[C@@H](CC(=O)OC)[C@]12C ZINC000009186874 JI Annotated Mild in-vitro O=C(C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)N(Cc1ccco1)C1CCCC1 ZINC000009211327 JI Annotated Anodyne C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCC1CCC(C(=O)O)CC1 ZINC000009345654 JI Annotated Anodyne C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCC1CCC(C(=O)O)CC1 ZINC000009345657 JI Annotated Anodyne CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCc4ccccc43)cc1)n2C ZINC000009404301 JI Annotated Anodyne CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@H](CC(=O)O)c2ccc(Cl)cc2)CC1 ZINC000009410273 JI Annotated Anodyne Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F ZINC000009439353 JI Annotated Anodyne Cc1sc2nc(COC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000009445017 JI Annotated Bother Cc1sc2nc(COC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000009445018 JI Annotated Bother O=C(c1cc(C(=O)N2CCOCC2)c2nc3ccccc3n2c1)c1cc(Cl)cc(Cl)c1O ZINC000009509805 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/C[C@@H]2CCCO2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560958 JI Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/C[C@@H]2CCCO2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560959 JI Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(C)o2)[C@H]1c1cn(C)c2ccccc12 ZINC000009561074 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(C)o2)[C@H]1c1cn(C)c2ccccc12 ZINC000009561075 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(C)o2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561076 JI Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(C)o2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561077 JI Annotated Anodyne Cc1cc(O)cc2c1[C@H]1O[C@](C)(Cc3cc4c(c(O)c31)C(=O)c1c(O)cc(O)cc1C4(C)C)O2 ZINC000009574742 JI Annotated Anodyne in-vitro CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C[C@@H](O)[C@@H](O)/C=C/C=C/C=C/C(=O)N1 ZINC000009574887 JI Annotated Anodyne COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009615202 JI Annotated Anodyne COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009615208 JI Annotated Anodyne CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(C(=O)NCc2ccccn2)c1 ZINC000009615212 JI Annotated Anodyne CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(C(=O)NCc2ccccn2)c1 ZINC000009615218 JI Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCc4ccc(OC(C)C)cc4)c32)cc1 ZINC000009645232 JI Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(Cl)cc3)c21 ZINC000009673105 JI Annotated Anodyne Cn1c2ccccc2c2c(C(=O)NC[C@@H]3COc4ccccc4O3)cn(C3CCCC3)c(=O)c21 ZINC000009674005 JI Annotated Anodyne Cn1c2ccccc2c2c(C(=O)NC[C@H]3COc4ccccc4O3)cn(C3CCCC3)c(=O)c21 ZINC000009674006 JI Annotated Anodyne CCCOc1ccc(C(N)=O)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1 ZINC000009716066 JI Annotated Anodyne CN(CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)CCc1ccccc1 ZINC000009731673 JI Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N(C)c3ccc(OC)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000009776677 JI Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N(C)c3ccc(OC)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000009776678 JI Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N(C)c3ccc(OC)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000009776679 JI Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N(C)c3ccc(OC)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000009776680 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C#N)c1)[C@H]1c3ccccc3CCN1C2=O ZINC000009777001 JI Annotated Mild Cc1ccc(Cn2c(SCc3cc(=O)n4cc(Cl)ccc4n3)nc3ncccc3c2=O)cc1 ZINC000009830302 JI Annotated Anodyne CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000009834888 JI Annotated Anodyne CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000009834891 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccco1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936514 JI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccco1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936516 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccco1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936522 JI Annotated Anodyne COc1ccc(-c2csc3ncc(S(=O)(=O)c4ccc(F)c(Cl)c4)c(=O)n23)cc1OC ZINC000009939179 JI Annotated Anodyne COc1ccccc1-c1cc(=O)n(CC(=O)N[C@@H](C)c2cccc3c2OCCO3)c2c1CCCC2 ZINC000009963629 JI Annotated Anodyne COc1ccccc1-c1cc(=O)n(CC(=O)N[C@H](C)c2cccc3c2OCCO3)c2c1CCCC2 ZINC000009963631 JI Annotated Anodyne C[C@@H]1C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C[C@H]1C ZINC000095098937 JI Annotated Mild in-vitro biogenic COc1cc(/C=C2\CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O ZINC000095098992 JI Annotated Anodyne in-vitro biogenic CO[C@@]12C[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@@H]3C[C@H](OC=O)[C@@H]([C@@H]31)[C@](C)([C@H]1C[C@H](C)[C@@H](C)C(=O)O1)O2 ZINC000095099416 JI Annotated Anodyne in-vitro biogenic C[C@H]1C[C@@H]2[C@@H](C(=O)O)C[C@]34C[C@]35CC[C@@H]3C(C)(C)[C@H](O)[C@@H](O)C[C@]3(C)[C@H]5CC=C4[C@H]2C[C@@]1(C)O ZINC000095485900 JI Annotated Anodyne in-vitro biogenic CC(C)=CCCOc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)[C@@H](O)[C@H]2O ZINC000095485981 JI Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@]3([C@H](C)C[C@@H]4[C@@]5(C)CCC[C@@]4(CN(CCOC(C)=O)C5=O)[C@H]3C2)[C@@H]1OC(C)=O ZINC000095486220 JI Annotated Mild in-vitro biogenic COc1cc(-c2coc3cc4c(c(OC(C)=O)c3c2=O)C=CC(C)(C)O4)c(O)cc1OC(C)=O ZINC000095486331 JI Annotated Anodyne in-vitro biogenic CCCCCCSc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000095549184 JI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCc3c(F)c(F)c(F)c(F)c3F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000095552386 JI Annotated Reactive CN(C)[C@@H]1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000095552829 JI Annotated Anodyne CN(C)[C@H]1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000095552830 JI Annotated Anodyne Cc1cn(-c2cc(Cl)ccc2CCCCCC[C@H](O)C[C@@](O)(CC(=O)O)C(=O)O)cc1C ZINC000095552848 JI Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000095553837 JI Annotated Anodyne O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000095554299 JI Annotated Anodyne O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000095554300 JI Annotated Anodyne Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(OC[C@H](O)C(C)(C)C)n(-c2ccccc2F)n1 ZINC000095554844 JI Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCC2=O)CC1 ZINC000095555149 JI Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCOC2=O)CC1 ZINC000095555189 JI Annotated Anodyne Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(OC[C@@H](O)C(C)(C)C)n(-c2ccccc2F)n1 ZINC000095556168 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095558122 JI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095558124 JI Annotated Anodyne COCC[C@@H](Sc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 ZINC000095558215 JI Annotated Anodyne COCC[C@H](Sc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 ZINC000095558216 JI Annotated Anodyne CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095558231 JI Annotated Bother COc1ccccc1OC[C@@H](Cn1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2c1=O)OC ZINC000095558279 JI Annotated Anodyne COc1ccccc1OC[C@H](Cn1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2c1=O)OC ZINC000095558280 JI Annotated Anodyne Cn1c(-c2ccc(OCCOCCOCCO)cc2)[n+](C)c2c3ccccc3c3ccccc3c21 ZINC000095558351 JI Annotated Bother CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccc1 ZINC000095558451 JI Annotated Anodyne CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H]([N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095558594 JI Annotated Bother C[C@]12CC[C@H]([N+]3(C)CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O ZINC000095558635 JI Annotated Bother Cc1ccccc1NC(=O)c1cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccn2c1=O ZINC000095558953 JI Annotated Mild COc1cc(OC)c(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1NC(=O)CCC(=O)O ZINC000095559002 JI Annotated Anodyne CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000095559108 JI Annotated Anodyne COc1cnc(-c2c(C)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1 ZINC000095559257 JI Annotated Anodyne CC(C)[C@@H](C)NC(=O)c1cc(-c2cc3ccccc3n2C)cc(C(=O)NCCc2ccccn2)n1 ZINC000095559348 JI Annotated Anodyne Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 ZINC000095559407 JI Annotated Anodyne Cc1cnc(NC(=O)CSc2nncnc2-c2ccccc2Cl)c(Br)c1 ZINC000095559932 JI Annotated Anodyne COc1ncc(-c2cccc(C)c2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1 ZINC000095560013 JI Annotated Anodyne O=S(=O)(Nc1ccccc1OC[C@H]1CCN(c2nc3ccccc3s2)C1)c1ccccn1 ZINC000095560106 JI Annotated Anodyne O=S(=O)(Nc1ccccc1OC[C@@H]1CCN(c2nc3ccccc3s2)C1)c1ccccn1 ZINC000095560107 JI Annotated Anodyne COCC(C)(C)NC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CCOC2 ZINC000095560210 JI Annotated Anodyne COc1ncc(-c2ccccc2C(F)(F)CNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1 ZINC000095560437 JI Annotated Anodyne Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 ZINC000095560528 JI Annotated Anodyne CCOC(=O)Cn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc32)nc2ccccc21 ZINC000095560621 JI Annotated Anodyne Cn1c(C(=O)NN2C(=O)CS[C@H]2C/C=C/c2ccccc2)cc(Br)c1Br ZINC000095560650 JI Annotated Anodyne Cn1c(C(=O)NN2C(=O)CS[C@@H]2C/C=C/c2ccccc2)cc(Br)c1Br ZINC000095560651 JI Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1ccc(/C=C2/C(=O)N(Cc3ccc(C=O)o3)c3ccc(F)cc32)o1 ZINC000095560659 JI Annotated Anodyne CCC(CC)Nc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2ccc(C(C)=O)cn2)c(C)cc1C(N)=O ZINC000095561065 JI Annotated Anodyne COc1cccc2cc(C(=O)/C=C/c3cc[n+](Cc4c(F)cccc4[N+](=O)[O-])cc3)c(=O)oc12 ZINC000095561104 JI Annotated Mild COC(=O)c1nc(Nc2ccc3ccc4cccc5ccc2c3c45)n(COCCOC(C)=O)n1 ZINC000095561137 JI Annotated Bother COC(=O)c1nc(CCc2ccc3ccc4cccc5ccc2c3c45)n(COCCOC(C)=O)n1 ZINC000095561664 JI Annotated Bother Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 ZINC000095561689 JI Annotated Anodyne COCC(C)(C)NC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1CCOC2 ZINC000095561957 JI Annotated Anodyne COc1cnc(-c2ccccc2C(F)(F)CNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1 ZINC000095562032 JI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]([N+]3(C)CCOCC3)[C@@H]2OC(C)=O)C1 ZINC000095562210 JI Annotated Bother Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 ZINC000095562220 JI Annotated Anodyne O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1c(F)cccc1C(F)(F)F ZINC000095562279 JI Annotated Anodyne CCC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccc1 ZINC000095562479 JI Annotated Anodyne Cn1c(C(=O)NN2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc(Br)c1Br ZINC000095562740 JI Annotated Anodyne Cn1c(C(=O)NN2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc(Br)c1Br ZINC000095562741 JI Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccn2c1=O ZINC000095563275 JI Annotated Mild Cc1ncc(-c2ccccc2CCNC(=O)c2cnc(OCCOCC(F)(F)F)c(C)c2)cn1 ZINC000095563535 JI Annotated Anodyne CC(C)CC(CC(C)C)NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1 ZINC000095563697 JI Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)C(=O)c1c(cc(OS(=O)(=O)O)c(CC=C(C)C)c1O)C2 ZINC000095563785 JI Annotated Anodyne Cc1cnc(-c2c(F)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1 ZINC000095563897 JI Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000095566136 JI Annotated Bother CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000095566137 JI Annotated Bother CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095566326 JI Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095566327 JI Annotated Anodyne CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1cc(OC)ccc12 ZINC000095566470 JI Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095566474 JI Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095566480 JI Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095566481 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095566506 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095566507 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](Cc3ccccc3)CO[C@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC000095566526 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095566632 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095566647 JI Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095566727 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H]1C ZINC000095566811 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095566847 JI Annotated Anodyne COC(=O)C1=CN(c2ccc3c(c2)OCO3)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000095566922 JI Annotated Reactive COC(=O)C1=CN(c2ccc3c(c2)OCO3)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000095566923 JI Annotated Reactive CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095567017 JI Annotated Anodyne O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccncc4)nn23)CC1 ZINC000095567042 JI Annotated Anodyne COc1cc(C(=O)N2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(N3CCCCC3)cc2)cc(OC)c1OC ZINC000095567049 JI Annotated Clean CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095567081 JI Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095567159 JI Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095567236 JI Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000095567330 JI Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000095567331 JI Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095567362 JI Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCOC)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095567530 JI Annotated Mild CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccc(F)cc1 ZINC000095567577 JI Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccc(F)cc1 ZINC000095567578 JI Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000095567609 JI Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000095567610 JI Annotated Anodyne CN(CCc1ccccc1)[C@@H](c1ccnc2ccccc12)c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095567698 JI Annotated Anodyne CN(CCc1ccccc1)[C@H](c1ccnc2ccccc12)c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095567699 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095567903 JI Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095567954 JI Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095567955 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095568116 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095568117 JI Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCOCC2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095568143 JI Annotated Mild CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095568237 JI Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCOC)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095568491 JI Annotated Mild C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095568541 JI Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095568617 JI Annotated Anodyne CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 ZINC000095568858 JI Annotated Reactive CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCOCC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095569232 JI Annotated Mild COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000095569307 JI Annotated Anodyne COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000095569308 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095569354 JI Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2ccc3c(c2)OCO3)[C@H]1CO ZINC000095569361 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095569426 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095569433 JI Annotated Anodyne COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CCC(F)(F)F)C[C@H]23)cc1 ZINC000095569504 JI Annotated Mild C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095569541 JI Annotated Mild CC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000095569630 JI Annotated Bother CC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000095569631 JI Annotated Bother COC(=O)[C@@]12C[C@@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095569648 JI Annotated Anodyne N#Cc1ccc([C@H](C(=O)NCc2ccccc2)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095569666 JI Annotated Mild N#Cc1ccc([C@@H](C(=O)NCc2ccccc2)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095569667 JI Annotated Mild CN(Cc1ccccc1)[C@@H](c1ccnc2ccccc12)c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095569668 JI Annotated Anodyne CN(Cc1ccccc1)[C@H](c1ccnc2ccccc12)c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095569669 JI Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095569927 JI Annotated Anodyne COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095570306 JI Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000095570340 JI Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000095570341 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095570508 JI Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCOCC2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095570525 JI Annotated Mild CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095570622 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCCN([C@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 ZINC000095570659 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCCN([C@@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 ZINC000095570660 JI Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095570998 JI Annotated Mild COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095571154 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095571371 JI Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NC3Cc4ccccc4C3)cc3c2[C@@H](CCO)N(C(C)=O)C3)c1 ZINC000095571451 JI Annotated Anodyne Cc1nn(S(=O)(=O)c2ccc(Cl)c(NC3CCN(C)CC3)c2)c2ccc(Cl)cc12 ZINC000095571767 JI Annotated Anodyne COc1cc(/C=C2\OC(C)(C)CN([C@@H](CO)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000095571937 JI Annotated Anodyne CCCSc1c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(OC)(C4)C3)cnn1-c1ccc(C(=O)O)cc1 ZINC000095572217 JI Annotated Anodyne COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4ccco4)C[C@@H]3C(=O)O)c2c1 ZINC000095572649 JI Annotated Anodyne C[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O ZINC000095573585 JI Annotated Anodyne CN1CCN(c2ccc(/C=C/c3cc(/C=C/c4ccc(N5CCN(C)CC5)cc4)ncn3)cc2)CC1 ZINC000095574016 JI Annotated Clean O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cn2)COC1=O)NCc1ccc(Cl)cc1 ZINC000095574264 JI Annotated Anodyne CCOC(=O)C1=NN(C(=O)CN2c3ccccc3Sc3ccccc32)[C@](O)(c2ccccc2)C1 ZINC000095574334 JI Annotated Anodyne CCOC(=O)C1=NN(C(=O)CN2c3ccccc3Sc3ccccc32)[C@@](O)(c2ccccc2)C1 ZINC000095574335 JI Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3[C@@H]3CCCO3)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000095574349 JI Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3[C@@H]3CCCO3)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000095574350 JI Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3[C@H]3CCCO3)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000095574351 JI Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3[C@H]3CCCO3)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000095574352 JI Annotated Anodyne NCCCCCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12 ZINC000095574475 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@@H]([C@H](O)c4cc(F)cc(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095574594 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H]([C@H](O)c4cc(F)cc(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095574595 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@@H]([C@@H](O)c4cc(F)cc(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095574596 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H]([C@@H](O)c4cc(F)cc(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095574597 JI Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccc(O)cc2)cc(-c2cc3cc(F)ccc3nc2Cl)n1 ZINC000095574905 JI Annotated Anodyne CC(C)Oc1cccc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(-c4cccc(C#N)c4)cs3)C2)c1 ZINC000095575010 JI Annotated Mild Cc1cn([C@H]2CCCN([C@H](C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095575240 JI Annotated Anodyne CN(c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000095575303 JI Annotated Bother O=C(NO)c1ccc2c(c1)CN(C(=O)/C(=C/c1ccc(F)cc1F)c1ccc(F)cc1)CC2 ZINC000095575317 JI Annotated Anodyne COc1ccc2nccc([C@H](O)CC[C@@H]3CCN(CCSc4ccco4)C[C@@H]3C(=O)O)c2c1 ZINC000095575596 JI Annotated Anodyne O=C([C@@H]1C[C@H](n2cc(-c3ccc(F)cc3F)nn2)CN1C(=O)CCCc1ccccc1)N1CCCC1 ZINC000095575714 JI Annotated Anodyne COc1cc(OC)c2c(c1)O[C@@]1(c3ccc(Cl)cc3)[C@H](c3cccc(F)c3)C[C@H](NC=O)[C@@]21O ZINC000095575765 JI Annotated Anodyne CN1CCN(c2ccc(/C=C/c3cnc(/C=C/c4ccc(N5CCN(C)CC5)cc4)cn3)cc2)CC1 ZINC000095575792 JI Annotated Clean Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000095576092 JI Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)N[C@@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000095576096 JI Annotated Anodyne C[C@H]1C[C@]2(CCN1Cc1cccc(OC3CCCC3)c1)CNS(=O)(=O)N2c1cccc(F)c1 ZINC000095576251 JI Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(Br)c2)cc1 ZINC000095576273 JI Annotated Mild Cc1cn([C@@H]2CCCN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)C2)c(=O)[nH]c1=O ZINC000095576356 JI Annotated Anodyne Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)C2)c(=O)[nH]c1=O ZINC000095576357 JI Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(F)cc2c1Oc1ncc(S(C)(=O)=O)cc1Br ZINC000095576460 JI Annotated Anodyne C[C@H]1C/C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O ZINC000095576609 JI Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000095576627 JI Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](C2CCCCC2)COC1=O)NCc1ccc(Cl)cc1 ZINC000095576695 JI Annotated Anodyne O=C(C[C@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(I)cc1 ZINC000095576976 JI Annotated Anodyne O=C(C[C@@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(I)cc1 ZINC000095576977 JI Annotated Anodyne COC/C=C/c1cc(Cl)cc(CN/C(N)=N/C(=O)c2c(-c3ccc(OC)cc3)noc2C)c1 ZINC000095577019 JI Annotated Mild COc1cc(/C=C(/C(=O)N2CCc3ccc(C(=O)NO)cc3C2)c2ccc(F)cc2)ccc1F ZINC000095577799 JI Annotated Anodyne COCCN(CC1CC1)c1c(OC)nn2c(-c3c(OC)cc(COC)cc3OC)csc12 ZINC000095578009 JI Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCOCCCc1ccc(O)c(/C=N/O)n1)CC2 ZINC000095578022 JI Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCOCCCc1ccc(O)c(/C=N/O)n1)CC2 ZINC000095578023 JI Annotated Mild COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2cccc(Cl)c2)c1=O ZINC000095578049 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@]3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095578050 JI Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@]3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095578051 JI Annotated Anodyne Cc1cn([C@H]2CCCN([C@@H](C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095578056 JI Annotated Anodyne O=C(Nc1nn(C(=O)Cc2ccccc2)c2c1CN(C(=O)c1ccccc1)C2)c1ccccc1 ZINC000095578462 JI Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]c(=O)[nH]c3Cl)c2F)c1 ZINC000095578706 JI Annotated Mild Cc1ccccc1[C@@H](C(=O)NC1CCNCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095579248 JI Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCNCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095579249 JI Annotated Anodyne COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@@H]4CCOC4)c(OC)nn23)c(OC)c1 ZINC000095579359 JI Annotated Anodyne COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@H]4CCOC4)c(OC)nn23)c(OC)c1 ZINC000095579360 JI Annotated Anodyne C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095579414 JI Annotated Anodyne CC(C)(C)c1nnc2c(C(=O)NCCc3nc4ccccc4s3)cc(Br)cn12 ZINC000095579913 JI Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000095579945 JI Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccc(Cl)c1 ZINC000095580010 JI Annotated Anodyne Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O ZINC000095580323 JI Annotated Anodyne CCc1nnc(C)n1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1 ZINC000095580692 JI Annotated Mild COc1cc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3)c(F)c2)n(C)n1 ZINC000095580761 JI Annotated Anodyne Cc1cc(O)c(C(=O)CCCCCCCC(=O)Nc2c3sscc-3[nH]c2=O)c(=O)o1 ZINC000095580775 JI Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccn[nH]2)cc1F ZINC000095580845 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(F)s2)ccc1Oc1ccc(CCCO)cc1-c1cn[nH]c1 ZINC000095580858 JI Annotated Mild Cn1nccc1-c1ccc(F)cc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095580887 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2ccc(C(F)(F)F)n2)nc1 ZINC000095580896 JI Annotated Mild O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F ZINC000095580922 JI Annotated Anodyne CCc1cc(-n2cccn2)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095580946 JI Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](C)C2)ccc1Cl ZINC000095580951 JI Annotated Anodyne Cc1nn(C)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095580995 JI Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nncs2)cc1C#N ZINC000095581005 JI Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ccccn2)cc1C#N ZINC000095581040 JI Annotated Mild Cc1cc(C)n(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)n1 ZINC000095581155 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(F)cc1C1CCOCC1 ZINC000095581178 JI Annotated Mild N#Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1 ZINC000095581182 JI Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(F)c1Cl ZINC000095581225 JI Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(F)cc2-c2ccn[nH]2)c(Cl)c1 ZINC000095581256 JI Annotated Anodyne Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000095581345 JI Annotated Anodyne Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095581407 JI Annotated Mild N#Cc1ccc(Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)c(-c2ccnnc2)c1 ZINC000095581467 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(F)c(Cl)cc1-c1ccn[nH]1 ZINC000095581510 JI Annotated Mild Cn1nccc1-c1cc(C#N)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095581526 JI Annotated Mild Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl ZINC000095581536 JI Annotated Anodyne Cc1n[nH]c(C)c1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095581567 JI Annotated Mild Cc1cnncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095581660 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(F)c(Cl)cc1-c1cn[nH]c1 ZINC000095581696 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cn[nH]c1 ZINC000095581733 JI Annotated Mild NC(=O)c1ccn(-c2cccc(N3CCN(C(=O)NCCCCCCc4ccccc4)CC3)c2)c1 ZINC000095581791 JI Annotated Anodyne Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095581859 JI Annotated Mild Nc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)[nH]n1 ZINC000095581964 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1ccn[nH]1 ZINC000095581991 JI Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)cn2)cc1C#N ZINC000095582014 JI Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2)c1Oc1ccc(S(=O)(=O)c2ncns2)cc1C#N ZINC000095582124 JI Annotated Mild N#Cc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)n1 ZINC000095582201 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnnc1 ZINC000095582203 JI Annotated Mild Cc1ccnn1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095582224 JI Annotated Mild Cc1nccnc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095582251 JI Annotated Mild Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2csnn2)cc1Cl ZINC000095582311 JI Annotated Anodyne Cn1cnnc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095582317 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1N ZINC000095582328 JI Annotated Mild COc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000095582413 JI Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1 ZINC000095582434 JI Annotated Anodyne CC(=O)N1CC(c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)C1 ZINC000095582446 JI Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(Cl)cc2-c2cn[nH]c2)c(F)c1 ZINC000095582492 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1C1CCNCC1 ZINC000095582585 JI Annotated Mild Cn1ncnc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095582611 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnn(-c2ccc(Cl)cc2)c1 ZINC000095582614 JI Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000095582679 JI Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000095582680 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nncs2)ccc1Oc1ccc(Cl)cc1-c1ccnnc1 ZINC000095582713 JI Annotated Mild Cc1cc(-c2ccnn2C)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1C#N ZINC000095582722 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(C2CC2)nn1CC(F)(F)F ZINC000095582752 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]n1 ZINC000095582757 JI Annotated Mild Nc1nccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)n1 ZINC000095582796 JI Annotated Anodyne Cn1ccc(-c2ccc(F)cc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)n1 ZINC000095582900 JI Annotated Mild Cc1nnc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4ccc(F)cn4)cc3C#N)cc2)o1 ZINC000095582913 JI Annotated Mild N#Cc1ccc(-c2ccnnc2)c(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1 ZINC000095582928 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1c[nH]nc1N ZINC000095582942 JI Annotated Mild Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ccncn2)cc1Cl ZINC000095583008 JI Annotated Anodyne O=C(N[C@H]1CCC[C@H](CO)C1)C1CCN(c2nc3cc(Cl)c(C(F)(F)F)cc3o2)CC1 ZINC000095583016 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000095583023 JI Annotated Mild Cc1nnc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C)c(C#N)c2)s1 ZINC000095583200 JI Annotated Mild CC(C)[C@@H]1CN(c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)C(=O)N1 ZINC000095583232 JI Annotated Mild CC(C)[C@H]1CN(c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)C(=O)N1 ZINC000095583233 JI Annotated Mild COc1ccc(CN2CCN(CN3CCC[C@@H]4[C@H]5C=C(C)C[C@]43c3ccc(O)nc3C5)CC2)cc1 ZINC000095583296 JI Annotated Anodyne Cn1ncnc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1C#N ZINC000095583310 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(Cl)c(F)cc1-c1ccnnc1 ZINC000095583347 JI Annotated Mild Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c(-c2nn(C)cc2C)c1 ZINC000095583371 JI Annotated Mild Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c(-c2c(C)cnn2C)c1 ZINC000095583421 JI Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2ccc(C)cc2)C1 ZINC000095583533 JI Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(C)cc2)C1 ZINC000095583534 JI Annotated Anodyne Cn1ncnc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095583562 JI Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(F)cc2-c2cn[nH]n2)cc1F ZINC000095583565 JI Annotated Anodyne Cn1nccc1-c1cc(F)c(F)cc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095583576 JI Annotated Mild Cc1ccc(-c2ccnn2C)c(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095583579 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nncs2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N)c1 ZINC000095583602 JI Annotated Mild COc1ccc2sc(CNc3nncc(-c4c(C)cc(NCCN(C)C)cc4C)n3)nc2c1 ZINC000095583670 JI Annotated Anodyne Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C)c(C#N)c2)cn1 ZINC000095583688 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N)c1 ZINC000095583780 JI Annotated Mild Cc1cn(C)nc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095583823 JI Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccc(C)o2)C1 ZINC000095583854 JI Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(C)o2)C1 ZINC000095583855 JI Annotated Anodyne Cn1nncc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl ZINC000095583876 JI Annotated Anodyne Cc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095583925 JI Annotated Mild Cn1cnnc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095583956 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(CN2CCC2)c(F)c1 ZINC000095583968 JI Annotated Mild Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1Cl ZINC000095584004 JI Annotated Anodyne Cc1[nH]ncc1-c1cc(Cl)c(F)cc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095584042 JI Annotated Mild O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(F)cc2-c2cn[nH]c2)cc1F ZINC000095584133 JI Annotated Anodyne COc1ccc(-n2cc(Oc3ccc(S(=O)(=O)Nc4ncns4)cc3C#N)c(C(C)C)n2)cc1 ZINC000095584182 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(Cl)c(F)cc1-c1cn[nH]c1 ZINC000095584197 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(C2CC2)nn1-c1ccccn1 ZINC000095584315 JI Annotated Mild Cn1ncnc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1F ZINC000095584344 JI Annotated Anodyne Nc1cccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)n1 ZINC000095584382 JI Annotated Anodyne COCc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c(-c2ccnn2C)c1 ZINC000095584393 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)cc(F)c1Oc1ccc(Cl)cc1-c1cn[nH]c1 ZINC000095584424 JI Annotated Mild C=CCc1cc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095584433 JI Annotated Mild O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CNC2)cc1F ZINC000095584567 JI Annotated Anodyne COc1cc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)ccc1-n1cnc(C)c1 ZINC000095584576 JI Annotated Mild Nc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1 ZINC000095584647 JI Annotated Anodyne COc1ccc(-c2ccnn2C)c(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095584648 JI Annotated Mild N#Cc1ccc(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c(-c2cn[nH]c2)c1 ZINC000095584664 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1Oc1ccncc1 ZINC000095584666 JI Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@@H](C)C2)ccc1Cl ZINC000095584769 JI Annotated Anodyne O=S(=O)(Nc1nncs1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccn[nH]2)cc1F ZINC000095584834 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1 ZINC000095584900 JI Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cnsn2)cc1C#N ZINC000095584931 JI Annotated Mild Cn1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)ccc1=O ZINC000095585000 JI Annotated Mild Cn1ccc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)n1 ZINC000095585023 JI Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2ccnnc2)cc1F ZINC000095585049 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cnco1 ZINC000095585066 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(F)c(Cl)cc1-c1ccnnc1 ZINC000095585247 JI Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccn(Cc3ccc(Cl)cc3)n2)c(F)c1 ZINC000095585366 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nncs2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1 ZINC000095585444 JI Annotated Mild CCc1nnc(C)n1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)cc1 ZINC000095585449 JI Annotated Anodyne Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1C#N ZINC000095585471 JI Annotated Mild O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccco2)cn1 ZINC000095585472 JI Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2C2CNC2)cc1F ZINC000095585498 JI Annotated Anodyne Cn1nccc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)c(C#N)c1 ZINC000095585499 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1CN1CCOCC1 ZINC000095585510 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccon1 ZINC000095585526 JI Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(Cl)c(F)cc1-c1ccn[nH]1 ZINC000095585567 JI Annotated Mild N#Cc1ccc(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c(-c2ccn[nH]2)c1 ZINC000095585632 JI Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2cccs2)C1 ZINC000095585673 JI Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2cccs2)C1 ZINC000095585674 JI Annotated Anodyne Cn1cc(-c2ccc(Cl)cc2)c(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)n1 ZINC000095585685 JI Annotated Mild O=S(=O)(Nc1nncs1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095585692 JI Annotated Anodyne Cn1cnc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)n1 ZINC000095585725 JI Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095585751 JI Annotated Anodyne Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000095585827 JI Annotated Anodyne COc1cc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)ccc1-n1ccnc1C ZINC000095585828 JI Annotated Mild O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2cc(F)ccc2-c2ccn[nH]2)cc1F ZINC000095585860 JI Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccn[nH]1 ZINC000095585878 JI Annotated Mild CC(C)=CC[C@@]12OC[C@@H]3[C@@H](COCCc4ccccc4)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095585982 JI Annotated Mild CCN(CC)CCNC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000095586101 JI Annotated Mild CC(C)=CC[C@@]12OC[C@@H]3[C@@H](COC(=O)c4ccccc4)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095586277 JI Annotated Mild COc1ccc(-c2nc(SCc3ccccc3)nc(N3CCC(C(N)=O)CC3)c2C#N)cc1 ZINC000095586424 JI Annotated Mild CCOC(=O)C1=CN(c2ccc(OC)cc2OC)C=C(C(=O)OCC)C1c1ccc(F)c(F)c1 ZINC000095586460 JI Annotated Anodyne Cc1c(C(=O)N2CCOc3ccc(-c4ccc5nc[nH]c5c4)cc3C2)ccc(S(C)(=O)=O)c1F ZINC000095586615 JI Annotated Anodyne CCC[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095586708 JI Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4ccc(C(=O)O)nc4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095586768 JI Annotated Anodyne NS(=O)(=O)c1cc2nc(-c3cc(Br)ccc3F)n3c4ccccc4oc(c1)c23 ZINC000095586824 JI Annotated Bother CCS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5nc[nH]c5c4)cc3C2)cc1 ZINC000095586864 JI Annotated Anodyne CCc1c(C(=O)N2CCOc3ccc(-c4ccc5nc[nH]c5c4)cc3C2)ccc(S(C)(=O)=O)c1F ZINC000095586957 JI Annotated Anodyne C[C@@H](NC(=O)[C@H]1CCCCN1CCO)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000095587052 JI Annotated Anodyne CCOCCNC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000095587115 JI Annotated Mild COc1ccc(COc2c(OC)c(OC)cc3c2C(=O)[C@@H]2[C@H]3Nc3ccccc3[C@@H]2C(=O)O)cc1 ZINC000095587252 JI Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000095587379 JI Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4cc5c(nc4c3)C(=O)OC5)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095587557 JI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CN(Cc3ccccn3)Cc3ccccn3)[nH]c21 ZINC000095587707 JI Annotated Clean Cn1cc(-c2ccc(CN3C(=O)[C@@]4(CCN(C(=O)C5CCC5)C4)c4ccccc43)c(F)c2)cn1 ZINC000095588224 JI Annotated Anodyne Cn1cc(-c2ccc(CN3C(=O)[C@]4(CCN(C(=O)C5CCC5)C4)c4ccccc43)c(F)c2)cn1 ZINC000095588225 JI Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4ccc(C(=O)O)nc4c3)nc(N3CC[C@H](N)C3)c2c1Cl ZINC000095588331 JI Annotated Anodyne CCc1cc(S(C)(=O)=O)ccc1C(=O)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1 ZINC000095588617 JI Annotated Anodyne Cn1c(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)cc2ccccc21 ZINC000095588662 JI Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN(C(C)C)C(C)C)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095588695 JI Annotated Mild CCCCCCOC(=O)/C=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C ZINC000095588844 JI Annotated Mild CC(C)[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095588962 JI Annotated Anodyne Cc1c(CCOCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000095589051 JI Annotated Clean CCNC(=O)OCc1c(COC(=O)NC(C)C)c2n(c1C)Cc1c(c3ccccc3n1C)C2 ZINC000095589171 JI Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000095589308 JI Annotated Mild COc1cc(N2Cc3ccc(Cc4ccc(F)cc4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095589326 JI Annotated Anodyne COc1ccc(C(=O)c2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1I ZINC000095589453 JI Annotated Anodyne COc1cc(N2Cc3ccc(Cc4cccc(F)c4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095589609 JI Annotated Anodyne CCNc1cc(S(C)(=O)=O)ccc1C(=O)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1 ZINC000095589794 JI Annotated Anodyne O=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cc(Br)cc(Br)c1 ZINC000095589812 JI Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCc4c[nH]c5ccccc45)ccc31)C(=O)c1ccncc1-2 ZINC000095590278 JI Annotated Clean CCCN(CCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cccc4O[C@]123 ZINC000095591077 JI Annotated Mild CC(C)=CC[C@@]12OC[C@@H]3[C@@H](COCc4ccccc4)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095592135 JI Annotated Mild CCN(CC)c1ccc(-c2nc3cc(S(N)(=O)=O)cc4oc5ccccc5n2c34)c(O)c1 ZINC000095592313 JI Annotated Bother CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000095592671 JI Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC[C@H](O)CNc3ccccc3)cc1O2 ZINC000095592764 JI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC[C@@H](O)CNc3ccccc3)cc1O2 ZINC000095592765 JI Annotated Anodyne CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccc(OC)cc1 ZINC000095593061 JI Annotated Reactive CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccc(OC)cc1 ZINC000095593062 JI Annotated Reactive CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)c2oc(=O)c(-c3ccc(OC)cc3)cc2c1 ZINC000095593469 JI Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(C)c2oc(=O)c(-c3ccc(OC)cc3)cc2c1 ZINC000095593470 JI Annotated Anodyne COc1ccc(Nc2nnc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)s2)cc1 ZINC000095593682 JI Annotated Anodyne COc1cc(/C=C2\CC/C(=C\c3ccc(OCCN(C)C)c(OC)c3)C2=O)ccc1OCCN(C)C ZINC000095593813 JI Annotated Mild CC(=O)NCC(=O)N1CCC2(CC1)CCN(CCc1ccc(C(C)C)cc1)c1ccccc1O2 ZINC000095594196 JI Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)c2oc(=O)c(-c3ccc(OC)c(OC)c3)cc2c1 ZINC000095594389 JI Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(C)c2oc(=O)c(-c3ccc(OC)c(OC)c3)cc2c1 ZINC000095594390 JI Annotated Anodyne Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(OS(=O)(=O)O)c2)cc1 ZINC000095594516 JI Annotated Anodyne Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(OS(=O)(=O)O)c2)cc1 ZINC000095594517 JI Annotated Anodyne COc1ccc(-n2nncc2COc2cc(C)c3c(c2C)[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC3)cc1OC ZINC000095594703 JI Annotated Anodyne COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(C(=O)NCC2CCCCC2)n1 ZINC000095595227 JI Annotated Anodyne CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccc(N(C)C)cc1 ZINC000095595388 JI Annotated Reactive CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccc(N(C)C)cc1 ZINC000095595389 JI Annotated Reactive CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccc(C(C)(C)C)cc1)c1ccccc1O2 ZINC000095595473 JI Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNCC(=O)O)c(C)c3oc2=O)ccc1O ZINC000095595605 JI Annotated Anodyne CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CCC(N)=O)c2ccccc2O3)cc1 ZINC000095595913 JI Annotated Anodyne O=C1C(=O)N(Sc2ccccc2[N+](=O)[O-])c2c(Br)cc(Br)cc21 ZINC000095596172 JI Annotated Bother COc1cc(-n2nncc2COc2cc(C)c3c(c2C)[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC3)cc(OC)c1OC ZINC000095596351 JI Annotated Anodyne O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccc3O)CC2)C1 ZINC000095596561 JI Annotated Anodyne CC(=O)Nc1ccc(-n2nncc2COc2cc(C)c3c(c2C)[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC3)cc1 ZINC000095596680 JI Annotated Anodyne O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(S)n1-c1ccc(Cl)cc1 ZINC000095596968 JI Annotated Anodyne Cc1c(Oc2ccc(-n3cncn3)cc2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C ZINC000095597316 JI Annotated Anodyne O=C1c2ccc(Nc3ccc(F)c(NC(=O)[C@@H]4CCOC4)c3)cc2CCc2ccc(OCCO)cc21 ZINC000095597692 JI Annotated Anodyne O=C1c2ccc(Nc3ccc(F)c(NC(=O)[C@H]4CCOC4)c3)cc2CCc2ccc(OCCO)cc21 ZINC000095597694 JI Annotated Anodyne Cc1c(Oc2ccc(C#N)cc2F)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)C ZINC000095597772 JI Annotated Mild Cc1csc(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)[C@H](C)C4)c[nH]c23)c1 ZINC000095598120 JI Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3O)cc2F)o1 ZINC000095598528 JI Annotated Anodyne C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccccc4F)s3)c2)C[C@@H](C)N1 ZINC000095598575 JI Annotated Anodyne C[C@H]1CN(c2cc(NS(=O)(=O)c3ccc(-c4cccs4)cc3)ccc2C#N)C[C@@H](C)N1 ZINC000095598627 JI Annotated Mild COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)n3)s2)cc1N1C[C@H](C)N[C@H](C)C1 ZINC000095598628 JI Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095598791 JI Annotated Anodyne CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095598802 JI Annotated Clean COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(/C=C/c4ccccc4)cc2)[C@@H]3CO)cc1 ZINC000095598966 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095598976 JI Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095598993 JI Annotated Anodyne CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095599041 JI Annotated Clean COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095599090 JI Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095599155 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccccc1F)[C@H](CO)N2 ZINC000095599266 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095599324 JI Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(F)cc1 ZINC000095599410 JI Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(F)cc1 ZINC000095599411 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(C#N)cc4)cc3[C@@H]21 ZINC000095599473 JI Annotated Mild CCNC(=O)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@H](CCO)N(C(=O)CC)C2 ZINC000095599494 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095599527 JI Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccco2)C1=O ZINC000095599609 JI Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095599668 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCCCCC1)C2 ZINC000095599679 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095599745 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccccc1F)[C@H](CO)N2 ZINC000095599758 JI Annotated Anodyne CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@H](CO)[C@@H]1O2 ZINC000095599828 JI Annotated Clean COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3C)c1 ZINC000095599994 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095600000 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095600024 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(C#N)c4)cc3[C@@H]21 ZINC000095600071 JI Annotated Mild CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095600082 JI Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095600083 JI Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@@H](CCO)N(C(=O)CC)C2 ZINC000095600144 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095600205 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095600228 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)c1 ZINC000095600252 JI Annotated Mild CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccccc2)C1=O ZINC000095600335 JI Annotated Anodyne COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2c(C)cccc2C)c1 ZINC000095600389 JI Annotated Anodyne COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2c(C)cccc2C)c1 ZINC000095600390 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095600651 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@@H]32)cc1 ZINC000095600728 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(C#Cc5ccc(F)cc5)cc4[C@@H]32)c1 ZINC000095600775 JI Annotated Mild CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 ZINC000095600785 JI Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 ZINC000095600786 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H]1C ZINC000095600845 JI Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)Cn2cc(COc3ccccc3)nn2)on1 ZINC000095600905 JI Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)Cn2cc(COc3ccccc3)nn2)on1 ZINC000095600906 JI Annotated Anodyne Cc1ccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3c4occc4ccc32)c(C)c1 ZINC000095601167 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000095601239 JI Annotated Anodyne O=[N+]([O-])c1ccc(Br)c(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 ZINC000095601647 JI Annotated Bother CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095601674 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095602325 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095602393 JI Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095602397 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)cc1 ZINC000095602411 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@@H]32)cc1 ZINC000095602735 JI Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095603020 JI Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095603114 JI Annotated Anodyne CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1ccccc1Cl ZINC000095603151 JI Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)OC(F)(F)O3 ZINC000095603182 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]1C ZINC000095603430 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095603445 JI Annotated Anodyne COc1ccc(CCN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000095603764 JI Annotated Anodyne COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000095603765 JI Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccc5cnn(C)c5c4)cc3)cc2S1(=O)=O ZINC000095603998 JI Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccc5cnn(C)c5c4)cc3)cc2S1(=O)=O ZINC000095603999 JI Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095604051 JI Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(/C=C/c5ccccc5)cc4)[C@@H]3C2)cc1 ZINC000095604054 JI Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095604073 JI Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095604074 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095604086 JI Annotated Anodyne CC(=O)N1CCC(CN2C(=O)[C@@]3(CC(C)(C)Oc4ccc(-c5cccc(Cl)c5)cc43)N=C2N)CC1 ZINC000095604142 JI Annotated Anodyne CC(=O)N1CCC(CN2C(=O)[C@]3(CC(C)(C)Oc4ccc(-c5cccc(Cl)c5)cc43)N=C2N)CC1 ZINC000095604143 JI Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@H]34)cc2)cc1 ZINC000095604250 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095604278 JI Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095604350 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2C)[C@@H](CO)N3)c1 ZINC000095604557 JI Annotated Anodyne COc1ccc(C(=O)C[C@@H]2OC[C@H](Cc3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000095604632 JI Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095604850 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@H]32)cc1 ZINC000095604923 JI Annotated Anodyne COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@@H]32)c1 ZINC000095605118 JI Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095605423 JI Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095605712 JI Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095605752 JI Annotated Anodyne COc1cccc(N2CN(Cc3c(F)cccc3F)C(=O)N(C[C@H](N)c3ccccc3)C2=O)c1 ZINC000095607642 JI Annotated Anodyne O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000095608632 JI Annotated Anodyne COc1cc2cc(c1Cl)NC(=O)C[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)CC(=O)[C@H](OC)/C=C/C=C(\C)C2 ZINC000095627977 JI Annotated Anodyne in-vitro COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(CC2CC2)CC1 ZINC000095661019 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095661146 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CCN(CC2CC2)CC1 ZINC000095661307 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095661389 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095661486 JI Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cnnn2CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095661524 JI Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095661538 JI Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3)c1 ZINC000095661614 JI Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095661671 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095661672 JI Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095661821 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1cccc(F)c1)CC31CCN(CC2CC2)CC1 ZINC000095662001 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(Cc2nccs2)CC1 ZINC000095662109 JI Annotated Anodyne CCN1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(C4=CCCC4)c3)c2[C@H]1CCO ZINC000095662115 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(CC1CCCCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095662158 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095662540 JI Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3ccc(F)cc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095662546 JI Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095663191 JI Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CCN(CC2CC2)CC1 ZINC000095663207 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@H](C)NC[C@H]1C ZINC000095663395 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(=O)Nc1ccccc1F)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095663516 JI Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cnnn2CC[C@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095663531 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)Cc2ccccc2)C1 ZINC000095663593 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095663657 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CCN(Cc2cccnc2)CC1 ZINC000095663677 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095663759 JI Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095663774 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095663930 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@H](C)NC[C@H]1C ZINC000095664151 JI Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095664222 JI Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@@H](CO)N3C)c1 ZINC000095664365 JI Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)Cc2ccccc2)C1 ZINC000095664579 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CCN(CC2CC2)CC1 ZINC000095665158 JI Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095665173 JI Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COCc2cnnn2CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095665206 JI Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(C(=O)Nc3ccnnc3)cccc2C1=O ZINC000095665562 JI Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3cn(C)cn3)cccc2C1=O ZINC000095665564 JI Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccnnc3)cccc2C1=O ZINC000095665574 JI Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncn3)cccc2C1=O ZINC000095665583 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CC2)CC1 ZINC000095665742 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)C2CCCCC2)CC1 ZINC000095665902 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCCC2)C1 ZINC000095665923 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCCC2)C1 ZINC000095665982 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCCC2)C1 ZINC000095665984 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095666004 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CCN(CC2CC2)CC1 ZINC000095666083 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CCN(CC2CC2)CC1 ZINC000095666086 JI Annotated Anodyne CC(C)NC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095666127 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCCC2)C1 ZINC000095666136 JI Annotated Anodyne CC(C)NC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095666349 JI Annotated Anodyne CC(C)NC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2F)cc1 ZINC000095666419 JI Annotated Anodyne CC(C)NC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095666509 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666617 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666621 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095666623 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095666625 JI Annotated Anodyne CCCNC(=O)N1CC2(CCN(CC3CCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095666627 JI Annotated Anodyne CCCNC(=O)N1CC2(CCN(CC3CCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095666629 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CN(Cc2ccccn2)C1 ZINC000095666662 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CN(Cc2ccccn2)C1 ZINC000095666665 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(CC2CCCC2)CC1 ZINC000095666700 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(CC2CCCC2)CC1 ZINC000095666702 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095666781 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095666784 JI Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)Cc1ccccc1)[C@H](CO)N2 ZINC000095666929 JI Annotated Mild COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@@H]32)cc1 ZINC000095667464 JI Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#CC4CCCCC4)cc3[C@H]21 ZINC000095667856 JI Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1cccc(F)c1)[C@H](CO)N2 ZINC000095668021 JI Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccc(F)cc1)[C@H](CO)N2 ZINC000095668066 JI Annotated Mild COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@H](CO)N3)c1 ZINC000095668295 JI Annotated Mild O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095676563 JI Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095676565 JI Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095676823 JI Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095676826 JI Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095676828 JI Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095676831 JI Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095676850 JI Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095676852 JI Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095676854 JI Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095676855 JI Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095676856 JI Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095676858 JI Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095676860 JI Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095676861 JI Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095679066 JI Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095679067 JI Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095679068 JI Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095679069 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679463 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679464 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679465 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679466 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679468 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679470 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679471 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679473 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679482 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679483 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679485 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679486 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679487 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CCCC2)C[C@H]1C ZINC000095679528 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CCCC2)C[C@@H]1C ZINC000095679529 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CCCC2)C[C@@H]1C ZINC000095679530 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CCCC2)C[C@H]1C ZINC000095679531 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CCCC2)C[C@@H]1C ZINC000095679532 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095679548 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679549 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095679550 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679551 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679553 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095679555 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679556 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095679557 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095679852 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095679853 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095679854 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095679855 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095679857 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095679858 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095679884 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679885 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679886 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679887 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095679888 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095679889 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679890 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095679891 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095680815 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095680816 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095680817 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095680818 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095680819 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095680820 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095680821 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccc(F)c1)[C@H](C)CO2 ZINC000095680939 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccc(F)c1)[C@@H](C)CO2 ZINC000095680940 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccc(F)c1)[C@H](C)CO2 ZINC000095680942 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccc(F)c1)[C@@H](C)CO2 ZINC000095680944 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccc(F)c1)[C@@H](C)CO2 ZINC000095680946 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccc(F)c1)[C@H](C)CO2 ZINC000095680948 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cccc(F)c1)[C@H](C)CO2 ZINC000095680950 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095681000 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095681002 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095681003 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095681004 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095681005 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095681006 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095681007 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095681008 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1OC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095681087 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1OC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095681088 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1OC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095681089 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1OC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095681091 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1OC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095681093 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1OC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095681095 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1OC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095681097 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1F)[C@@H](C)CO2 ZINC000095681105 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1F)[C@H](C)CO2 ZINC000095681107 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1F)[C@H](C)CO2 ZINC000095681109 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1F)[C@@H](C)CO2 ZINC000095681110 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1F)[C@H](C)CO2 ZINC000095681111 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1F)[C@@H](C)CO2 ZINC000095681112 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1F)[C@H](C)CO2 ZINC000095681113 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1F)[C@@H](C)CO2 ZINC000095681114 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H]1C ZINC000095681123 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H]1C ZINC000095681124 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H]1C ZINC000095681125 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H]1C ZINC000095681126 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H]1C ZINC000095681127 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H]1C ZINC000095681128 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H]1C ZINC000095681129 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095686820 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095686821 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095686822 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095686823 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095686824 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095686825 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095686826 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095686848 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095686849 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095686850 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095686851 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095686852 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095686853 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095686854 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095686855 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095686901 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095686902 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095686903 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095686904 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095686905 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095686906 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095686907 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095686908 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095686909 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095686910 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095686911 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095686912 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095686913 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095686914 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095686915 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095686916 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687072 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687073 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687074 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687075 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687076 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687077 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687078 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095687079 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095687080 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095687081 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095687082 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095687083 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095687084 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095687085 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095687086 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095687109 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095687110 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095687111 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095687112 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095687113 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095687114 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095687128 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687129 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687130 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095687131 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687132 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095687133 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H]1C ZINC000095687160 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H]1C ZINC000095687161 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H]1C ZINC000095687162 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H]1C ZINC000095687163 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H]1C ZINC000095687164 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H]1C ZINC000095687165 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H]1C ZINC000095687166 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687180 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687181 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687182 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687183 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687184 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687185 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687290 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687291 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687292 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687293 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687294 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687295 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687296 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]1C ZINC000095687475 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]1C ZINC000095687476 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]1C ZINC000095687477 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]1C ZINC000095687478 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]1C ZINC000095687479 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]1C ZINC000095687480 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]1C ZINC000095687481 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]1C ZINC000095687482 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095687531 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095687532 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095687533 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095687534 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095687535 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095687536 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095687537 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095687582 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687583 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095687584 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687585 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095687586 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687587 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095687588 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687633 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687634 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687635 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687636 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687637 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687638 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687639 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095687677 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095687678 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095687679 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095687680 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095687681 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095687682 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095687819 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095687820 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095687836 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095687837 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095687838 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095687839 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095687840 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095687841 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095687842 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCCC1)[C@@H](C)CO2 ZINC000095687843 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCCC1)[C@H](C)CO2 ZINC000095687844 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCCC1)[C@@H](C)CO2 ZINC000095687845 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCCC1)[C@H](C)CO2 ZINC000095687846 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCCC1)[C@H](C)CO2 ZINC000095687847 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCCC1)[C@@H](C)CO2 ZINC000095687848 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCCC1)[C@@H](C)CO2 ZINC000095687849 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095687966 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095687967 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095687968 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095687969 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095687970 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095687971 JI Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]1C ZINC000095688027 JI Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]1C ZINC000095688028 JI Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]1C ZINC000095688029 JI Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]1C ZINC000095688030 JI Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]1C ZINC000095688031 JI Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]1C ZINC000095688032 JI Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]1C ZINC000095688033 JI Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]1C ZINC000095688034 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688172 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095688173 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095688174 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095688175 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688250 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccc(F)c1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688251 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688252 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccc(F)c1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688253 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688254 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688255 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688256 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1OC)[C@@H](C)CO2 ZINC000095688324 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1OC)[C@H](C)CO2 ZINC000095688325 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1OC)[C@@H](C)CO2 ZINC000095688326 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1OC)[C@H](C)CO2 ZINC000095688327 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1OC)[C@@H](C)CO2 ZINC000095688328 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1OC)[C@H](C)CO2 ZINC000095688329 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1OC)[C@@H](C)CO2 ZINC000095688330 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1OC)[C@H](C)CO2 ZINC000095688331 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688338 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688339 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688340 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688341 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688342 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688343 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688344 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688544 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688545 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688546 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688547 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688548 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688549 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095688629 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095688630 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095688631 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095688632 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095688633 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095688634 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095688635 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095688636 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688650 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688651 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688652 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688653 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688654 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688655 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095688692 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095688693 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095688694 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095688695 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095688696 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095688697 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095688698 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095688699 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CCCC2)C[C@H]1C ZINC000095688722 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CC2CCCC2)C[C@@H]1C ZINC000095688723 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CCCC2)C[C@@H]1C ZINC000095688724 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CC2CCCC2)C[C@@H]1C ZINC000095688725 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CCCC2)C[C@H]1C ZINC000095688726 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CC2CCCC2)C[C@H]1C ZINC000095688727 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CCCC2)C[C@@H]1C ZINC000095688728 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688806 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688807 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688808 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688809 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688810 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688811 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688812 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688813 JI Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H]1C ZINC000095688841 JI Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H]1C ZINC000095688842 JI Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H]1C ZINC000095688843 JI Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H]1C ZINC000095688844 JI Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H]1C ZINC000095688845 JI Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H]1C ZINC000095688846 JI Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H]1C ZINC000095688847 JI Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H]1C ZINC000095688848 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]1C ZINC000095689133 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]1C ZINC000095689135 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]1C ZINC000095689137 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]1C ZINC000095689139 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]1C ZINC000095689141 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]1C ZINC000095689143 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]1C ZINC000095689145 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689325 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689327 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689330 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095689332 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689334 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095689336 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689338 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095689967 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095690153 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095690156 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095690158 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095690159 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095690162 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095690164 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095690165 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095690168 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095690170 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095690172 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095690174 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095690176 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095690178 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095690180 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095690216 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095690218 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095690220 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095690222 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095690223 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095690226 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095690228 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095690230 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095690351 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690353 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095690354 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690356 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095690358 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690360 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095690422 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095690424 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095690426 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095690429 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095690431 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095690433 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095690462 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095690464 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095690466 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095690469 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095690471 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095690473 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095690474 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H]1C ZINC000095690553 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H]1C ZINC000095690555 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H]1C ZINC000095690557 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H]1C ZINC000095690559 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H]1C ZINC000095690560 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H]1C ZINC000095690562 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H]1C ZINC000095690564 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095690684 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095690686 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095690688 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095690690 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095690691 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095690693 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095690695 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095690904 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095690965 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095691092 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691170 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691236 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691251 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095691255 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095691427 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691543 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691555 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691557 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095691674 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691682 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691690 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691696 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095691697 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095691705 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095691720 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691758 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095691763 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095691808 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095691816 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095691883 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095691884 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095691910 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691955 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095691957 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095692017 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095692178 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095692229 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095692303 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095692467 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095692510 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095692644 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692734 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692736 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H]1C ZINC000095692754 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H]1C ZINC000095692851 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095692917 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095692931 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H]1C ZINC000095692935 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692942 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095693041 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H]1C ZINC000095693233 JI Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H]1C ZINC000095693271 JI Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H]1C ZINC000095693279 JI Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H]1C ZINC000095693358 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095693381 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693391 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095693400 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095693484 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095693611 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@H](C)NC[C@H]1C ZINC000095693617 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@H](C)NC[C@@H]1C ZINC000095693834 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095693864 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095693892 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095693925 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095693945 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@H](C)NC[C@H]1C ZINC000095693961 JI Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CCCC1 ZINC000095699378 JI Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095699379 JI Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)CC1CCCC1 ZINC000095699380 JI Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095702234 JI Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095702235 JI Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095702236 JI Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095702237 JI Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095702238 JI Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095702239 JI Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CCCCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708608 JI Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095716356 JI Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095726021 JI Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095726022 JI Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095726023 JI Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095726024 JI Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095726025 JI Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095726026 JI Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095726027 JI Annotated Anodyne COc1cccc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1OC ZINC000095750558 JI Annotated Anodyne COc1cccc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1OC ZINC000095750560 JI Annotated Anodyne COc1ccc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1OC ZINC000095750588 JI Annotated Anodyne COc1ccc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1OC ZINC000095750590 JI Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000095750596 JI Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000095750598 JI Annotated Anodyne COc1cc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(OC)c1OC ZINC000095750602 JI Annotated Anodyne COc1cc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(OC)c1OC ZINC000095750603 JI Annotated Anodyne COCC(=O)N(c1ccc(OC)c(Cl)c1)[C@H](C(=O)NCCc1ccccc1)c1cccs1 ZINC000095771688 JI Annotated Anodyne COCC(=O)N(c1ccc(OC)c(Cl)c1)[C@@H](C(=O)NCCc1ccccc1)c1cccs1 ZINC000095771689 JI Annotated Anodyne CCN1C(=O)c2ccccc2[C@](Cc2ccccc2)(C(=O)NCCCOC)[C@@H]1c1ccc(CO)cc1 ZINC000095771830 JI Annotated Anodyne O=C(O)[C@H]1N[C@H](C2CCCCC2)[C@@]2(C(=O)Nc3ccc(CCC4CCCCC4)cc32)[C@@H]1C(=O)O ZINC000095783410 JI Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](C2CCCCC2)[C@H]1CCCO ZINC000095783792 JI Annotated Anodyne C=CCN1CCCc2c(-c3ccc(OCCO)cc3)noc2-c2cc(OC)c(OC)cc2CC1 ZINC000095783892 JI Annotated Mild O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCC1 ZINC000095783939 JI Annotated Anodyne O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCC1 ZINC000095784284 JI Annotated Anodyne O=C(NCc1ccc(Cl)cc1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000095784423 JI Annotated Anodyne COc1ccc([C@H]2C=C(C(=O)NCc3ccccc3)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000095784603 JI Annotated Anodyne COc1ccc([C@@H]2C=C(C(=O)NCc3ccccc3)O[C@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000095784630 JI Annotated Anodyne O=C(OC[C@@H]1[C@H]2c3ccccc3O[C@]1(CO)N=C1SCc3ccccc3CN12)c1ccccc1 ZINC000095784832 JI Annotated Anodyne C=C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000095785036 JI Annotated Mild C=C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000095785038 JI Annotated Mild CC(=O)n1cc([C@H]2C=C(C(=O)N3CCCC3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000095785219 JI Annotated Anodyne O=C(CC1CC1)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1 ZINC000095793473 JI Annotated Mild O=C(CC1CC1)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1 ZINC000095793493 JI Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3C)cc1 ZINC000095793497 JI Annotated Anodyne O=C(N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#CC2CC2)cc1)c1cccc(F)c1 ZINC000095793580 JI Annotated Mild O=C(N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#CC2CC2)cc1)c1cccc(F)c1 ZINC000095793587 JI Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3C)cc1 ZINC000095793614 JI Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095793616 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(CC1CCCCC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793629 JI Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3ccc(F)cc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095793706 JI Annotated Anodyne CCCC(=O)N1CC2(CCN(CC3CCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095793774 JI Annotated Anodyne CCCC(=O)N1CC2(CCN(CC3CCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095793775 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccnc1)CC31CCN(Cc2cccnc2)CC1 ZINC000095793833 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cccc(OC)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793860 JI Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095793880 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095794013 JI Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095794051 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@H](C)NC[C@@H]1C ZINC000095794070 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CCCC2)C[C@H]1C ZINC000095794283 JI Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)O[C@H](CO)[C@H]1O2 ZINC000095794755 JI Annotated Clean CCCNC(=O)N1CC2(CCN(C(=O)C3CCCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095795914 JI Annotated Anodyne CCCN1CCC2(CC1)CN(Cc1ccccc1OC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095795918 JI Annotated Anodyne CCCN1CCC2(CC1)CN(Cc1ccccc1OC)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095795919 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3C)cc1 ZINC000095795926 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3cccc(Cl)c3)CC[C@@H]21 ZINC000095796012 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CCN(C(C)=O)CC1 ZINC000095796024 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(Cl)c1)CC31CCN(C(C)=O)CC1 ZINC000095796025 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095796068 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095796077 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095796079 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CCN(C(C)=O)CC1 ZINC000095796131 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095796170 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(Cc2nccs2)CC1 ZINC000095796178 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H]1C ZINC000095796200 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(=O)Nc1ccccc1F)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796202 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(CC2CC2)CC1 ZINC000095796218 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095796220 JI Annotated Anodyne CCCN1CCC2(CC1)CN(Cc1ccc3c(c1)OCO3)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796270 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095796307 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095796365 JI Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095796367 JI Annotated Anodyne O=C(Nc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccn1 ZINC000095796441 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000095796457 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000095796458 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CN(Cc2ccccn2)C1 ZINC000095796459 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CN(Cc2ccccn2)C1 ZINC000095796460 JI Annotated Anodyne O=C(CC1CC1)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1 ZINC000095796534 JI Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)c2ccccc2F)C1 ZINC000095796591 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)c2ccccc2F)C1 ZINC000095796634 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(Cc2cccnc2)CC1 ZINC000095796680 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(Cc2cccnc2)CC1 ZINC000095796681 JI Annotated Anodyne O=C(CC1CC1)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1 ZINC000095796765 JI Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095796773 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095797136 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095797137 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095797138 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095797170 JI Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095797920 JI Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095797921 JI Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095797923 JI Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095797939 JI Annotated Anodyne CC(C)NC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2F)cc1 ZINC000095797942 JI Annotated Anodyne O=C(N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2cccnc2)cc1)c1cccc(F)c1 ZINC000095797945 JI Annotated Anodyne O=C(N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2cccnc2)cc1)c1cccc(F)c1 ZINC000095797974 JI Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095797987 JI Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095798001 JI Annotated Anodyne O=C(N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2cccnc2)cc1)c1cccc(F)c1 ZINC000095798003 JI Annotated Anodyne CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)CCCC1 ZINC000095808901 JI Annotated Reactive Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)Nc3ccccc3O)o2)n1C ZINC000095809029 JI Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O ZINC000095809036 JI Annotated Reactive CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095864566 JI Annotated Anodyne O=C(Nc1ccccc1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccccn1 ZINC000095864633 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095864656 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cccc(F)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095864671 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cccc(F)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095864672 JI Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CCCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095864678 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095864704 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#CC4CCCCC4)cc3[C@H]21 ZINC000095864709 JI Annotated Mild C/C=C/c1cccc(-c2nc(C(=O)NC3Cc4ccccc4C3)cc3c2[C@H](CCO)N(C(C)=O)C3)c1 ZINC000095864756 JI Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCCCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095864757 JI Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCCCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095864759 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(C#N)cc4)ccc2N[C@H]3CO)cc1 ZINC000095864764 JI Annotated Mild CCC(=O)N1CC2(CCN(C(=O)Nc3ccccc3F)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095864769 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095864786 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095864806 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095864809 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095864867 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(CC2CC2)C1 ZINC000095864949 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095864952 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(Cc2cncnc2)CC1 ZINC000095864996 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#CC4CCCCC4)cc3[C@H]21 ZINC000095865019 JI Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(CC2CC2)C1 ZINC000095865030 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CC2)CC1 ZINC000095865059 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3C)cc1 ZINC000095865136 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865163 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2ccccc2Cl)CC1 ZINC000095865177 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095865179 JI Annotated Anodyne COc1cccc(CN2CCC3(CC2)CN(C(=O)C2CC2)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095865189 JI Annotated Anodyne COc1cccc(CN2CCC3(CC2)CN(C(=O)C2CC2)[C@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095865190 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(CC2CC2)CC1 ZINC000095865192 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(CC2CC2)CC1 ZINC000095865194 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(Cc2ccccc2Cl)CC1 ZINC000095865207 JI Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865251 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095865292 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)C2CCCCC2)CC1 ZINC000095865295 JI Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(Cc1ccccc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865352 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CCN(C(C)=O)CC1 ZINC000095865366 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccc(Cl)c1)CC31CCN(C(C)=O)CC1 ZINC000095865367 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CCN(Cc2ccccc2)CC1 ZINC000095865384 JI Annotated Anodyne COc1cccc(CN2CC3(CCN(CC4CC4)CC3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095865389 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CCN(Cc2ccccn2)CC1 ZINC000095865392 JI Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(Cc1ccccc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865393 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CCN(Cc2ccccc2)CC1 ZINC000095865415 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccn1)CC31CCN(Cc2ccccn2)CC1 ZINC000095865422 JI Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(Cc1cccc(F)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865457 JI Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(Cc1cccc(F)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865458 JI Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)Nc3ccccc3F)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865536 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095865547 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095865549 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866038 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095866040 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095866041 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866042 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866043 JI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095866745 JI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095866746 JI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccc(F)cc5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866747 JI Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095866784 JI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095866785 JI Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095866786 JI Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095867063 JI Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@H](CO)[C@H]1O2 ZINC000095867069 JI Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095867070 JI Annotated Clean CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095867427 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095867429 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000095867430 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#CC4CCCCC4)cc3[C@@H]21 ZINC000095867433 JI Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095867441 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095867469 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095867494 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095867655 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095867656 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)c2cccc(F)c2)CC1 ZINC000095867657 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)c2cccc(F)c2)CC1 ZINC000095867658 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(CC2CCCC2)CC1 ZINC000095867664 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000095867695 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CCN(CC2CCCC2)CC1 ZINC000095867744 JI Annotated Anodyne COc1ccc(CN2CC3(CN(C(=O)c4ccccc4)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc1 ZINC000095867843 JI Annotated Anodyne COc1ccc(CN2CC3(CN(C(=O)c4ccccc4)C3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)cc1 ZINC000095867844 JI Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1ccc(F)cc1)[C@@H](CO)N2 ZINC000095867982 JI Annotated Mild COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cccc(C)c1)[C@H](CO)N2 ZINC000095868020 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868052 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1OC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868057 JI Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095868100 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868170 JI Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095868172 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CCCC2)C[C@@H]1C ZINC000095868187 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095868189 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095868203 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095868210 JI Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095868212 JI Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095868257 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095868437 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095868472 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000095868473 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000095868474 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cc(F)ccc1F)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868508 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868509 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CCN(C(C)=O)CC1 ZINC000095868530 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CCN(C(C)=O)CC1 ZINC000095868531 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(Cc2ccncc2)CC1 ZINC000095868536 JI Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(Cc2ccncc2)CC1 ZINC000095868537 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095868679 JI Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)c1ccc(F)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868708 JI Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)c1ccc(F)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868709 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)CC2CC2)C1 ZINC000095868727 JI Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)CC2CC2)C1 ZINC000095868728 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cc(F)ccc1F)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868742 JI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5cccc(F)c5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095868765 JI Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095868790 JI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5cccc(F)c5)C[C@H]34)cc2)cc1 ZINC000095868791 JI Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5cccc(F)c5)C[C@H]34)cc2)cc1 ZINC000095868792 JI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095868793 JI Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5cccc(F)c5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095868794 JI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095868795 JI Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868799 JI Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(Cc1ccc(F)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868813 JI Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1ccc(Cl)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868832 JI Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1ccc(Cl)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868833 JI Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095868908 JI Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095868949 JI Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095868950 JI Annotated Anodyne O=C(N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2cccnc2)cc1)c1cccc(F)c1 ZINC000095868966 JI Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095868967 JI Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095869038 JI Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095869059 JI Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095869074 JI Annotated Anodyne CC(C)NC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2F)cc1 ZINC000095869096 JI Annotated Anodyne CC(C)NC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2F)cc1 ZINC000095869112 JI Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095869117 JI Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095869137 JI Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)N(C)C)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095869260 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095869508 JI Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095869509 JI Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(/C=C/c5ccccc5)cc4)[C@@H]3C2)cc1 ZINC000095871487 JI Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(/C=C/c4ccccc4)cc2)[C@@H]3CO)cc1 ZINC000095871488 JI Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(/C=C/c5ccccc5)cc4)[C@H]3C2)cc1 ZINC000095871489 JI Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(/C=C/c5ccccc5)cc4)[C@@H]3C2)cc1 ZINC000095871490 JI Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(/C=C/c5ccccc5)cc4)[C@H]3C2)cc1 ZINC000095871491 JI Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(/C=C/c5ccccc5)cc4)[C@@H]3C2)cc1 ZINC000095871511 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095871617 JI Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095871618 JI Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095871619 JI Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095871620 JI Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095871621 JI Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095871622 JI Annotated Mild COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095871949 JI Annotated Mild O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#CC4CCCCC4)cc3[C@@H]21 ZINC000095871952 JI Annotated Mild [N-]=[N+]=NCCOCCNC(=O)CCCOc1ccc(-c2nnc(SCc3ccccn3)o2)cc1 ZINC000095872097 JI Annotated Clean CC(C)N1C[C@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccnnc3)cccc2C1=O ZINC000095872147 JI Annotated Anodyne CC(C)N1CC2(CN(Cc3ccccc3Cl)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872163 JI Annotated Anodyne CC(C)N1CC2(CN(CC3CCCCC3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872169 JI Annotated Anodyne O=C(Oc1cc(CN2C(=O)c3ccccc3C2=O)c2ccccc2[n+]1[O-])c1cccc(Cl)c1 ZINC000095872299 JI Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc2c(C(=O)Nc3ccncc3)cccc2C1=O ZINC000095872318 JI Annotated Anodyne CC(C)N1C[C@H](CNCc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872328 JI Annotated Anodyne CC(C)N1CC2(CN(Cc3ccc(Cl)cc3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872333 JI Annotated Anodyne CC(C)N1CC2(CN(Cc3ccc(F)c(F)c3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872335 JI Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc2c(NC(=O)c3cccnc3)cccc2C1=O ZINC000095872360 JI Annotated Anodyne CC(C)N(C)C(=O)c1cccc(NC(=O)c2ccncc2)c1OCCCN(C)C(=O)OC(C)(C)C ZINC000095872364 JI Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc2c(NC(=O)c3ccccn3)cccc2C1=O ZINC000095872365 JI Annotated Anodyne CC(C)N1C[C@@H](C)[C@H](CN(C)C(=O)OC(C)(C)C)Oc2c(C(=O)Nc3ccncc3)cccc2C1=O ZINC000095872372 JI Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872383 JI Annotated Anodyne COCC/N=C1/N=C(CC(=O)/C=C/c2ccc(O)c(OC)c2)C[C@H](c2ccc(O)c(OC)c2)S1 ZINC000095872488 JI Annotated Mild COCC/N=C1/N=C(CC(=O)/C=C/c2ccc(O)c(OC)c2)C[C@@H](c2ccc(O)c(OC)c2)S1 ZINC000095872489 JI Annotated Mild COCCCN1C2=C(C(=O)C[C@@H](c3ccc(O)c(OC)c3)S2)C(=O)C[C@H]1c1ccc(O)c(OC)c1 ZINC000095872512 JI Annotated Mild COCCCN1C2=C(C(=O)C[C@@H](c3ccc(O)c(OC)c3)S2)C(=O)C[C@@H]1c1ccc(O)c(OC)c1 ZINC000095872513 JI Annotated Mild COCCCn1c(-c2ccc(O)c(OC)c2)cc(=O)c2c(=O)cc(-c3ccc(O)c(OC)c3)sc21 ZINC000095872518 JI Annotated Anodyne COCCCN1c2sc(-c3ccc(O)c(OC)c3)cc(=O)c2C(=O)C[C@@H]1c1ccc(O)c(OC)c1 ZINC000095872519 JI Annotated Anodyne COCCCN1c2sc(-c3ccc(O)c(OC)c3)cc(=O)c2C(=O)C[C@H]1c1ccc(O)c(OC)c1 ZINC000095872520 JI Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095872648 JI Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095872730 JI Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095872861 JI Annotated Anodyne COc1ccccc1C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095873143 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095873144 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@H]23)cc1 ZINC000095873145 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095873146 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@H]23)cc1 ZINC000095873147 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095873148 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095873149 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095873150 JI Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@H]3C2)cc1 ZINC000095873151 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)cc1 ZINC000095873152 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C4=CCCCC4)cc2)[C@@H]3CO)cc1 ZINC000095873153 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)cc1 ZINC000095873154 JI Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 ZINC000095873170 JI Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095873171 JI Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095873172 JI Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095873173 JI Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(CC5CCOCC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873318 JI Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095873319 JI Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095873320 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(CC5CCOCC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873321 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095873322 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@H]34)cc2)c1 ZINC000095873323 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095873324 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873340 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873341 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873342 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873343 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873344 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873345 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873346 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873433 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873434 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873435 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873436 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873437 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873438 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873439 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873440 JI Annotated Anodyne N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873567 JI Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095873568 JI Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095873569 JI Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095873570 JI Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873571 JI Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095873572 JI Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@H]34)cc2)c1 ZINC000095873573 JI Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@H]34)cc2)c1 ZINC000095873574 JI Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1 ZINC000095873681 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(CCC(F)(F)F)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873682 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1 ZINC000095873683 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1 ZINC000095873684 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(CCC(F)(F)F)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873685 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1 ZINC000095873686 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1 ZINC000095873687 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1 ZINC000095873688 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873696 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873697 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873698 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873699 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095873700 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873701 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095873702 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873703 JI Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873738 JI Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873739 JI Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873740 JI Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873741 JI Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873742 JI Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873743 JI Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873744 JI Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873745 JI Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095873873 JI Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095873874 JI Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873875 JI Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873876 JI Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095873877 JI Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095873878 JI Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873879 JI Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873880 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874072 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874073 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874074 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874075 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874076 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874077 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095874080 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095874081 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874082 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874083 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095874084 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874085 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874086 JI Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1 ZINC000095874379 JI Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095874380 JI Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095874381 JI Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1 ZINC000095874382 JI Annotated Mild Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874451 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccn4)CCCCN3[C@H]2CO)cc1 ZINC000095874452 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@H]23)cc1 ZINC000095874453 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874454 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccccn4)CCCCN3[C@H]2CO)cc1 ZINC000095874455 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874456 JI Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095874638 JI Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095874639 JI Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874640 JI Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874641 JI Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095874642 JI Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874887 JI Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874888 JI Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874889 JI Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874890 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095875047 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095875048 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095875049 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095875050 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095875051 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095875052 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095875053 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095875054 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095875055 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095875056 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095875057 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095875058 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095875059 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095875060 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095875061 JI Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095875062 JI Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095875076 JI Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875077 JI Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095875078 JI Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875079 JI Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095875080 JI Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875081 JI Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875082 JI Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095875083 JI Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@H]34)cc2)cc1 ZINC000095875084 JI Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)cc1 ZINC000095875085 JI Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@H]34)cc2)cc1 ZINC000095875086 JI Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(CC5CCOCC5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875087 JI Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)cc1 ZINC000095875088 JI Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(CC5CCOCC5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875089 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095875281 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875282 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875283 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875284 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095875285 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095875286 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095875287 JI Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875288 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)cc1 ZINC000095875381 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)cc1 ZINC000095875382 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(CCC(F)(F)F)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875383 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)cc1 ZINC000095875384 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)cc1 ZINC000095875385 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)cc1 ZINC000095875386 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)cc1 ZINC000095875387 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(CCC(F)(F)F)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875388 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 ZINC000095875429 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095875430 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095875431 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095875432 JI Annotated Anodyne OC[C@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H]2CN(Cc3ccccc3F)CCCCN12 ZINC000095875460 JI Annotated Mild OC[C@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@H]2CN(Cc3ccccc3F)CCCCN21 ZINC000095875461 JI Annotated Mild OC[C@@H]1[C@H](c2ccc(C#Cc3cccnc3)cc2)[C@H]2CN(Cc3ccccc3F)CCCCN12 ZINC000095875462 JI Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H]2CN(Cc3ccccc3F)CCCCN12 ZINC000095875463 JI Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H]2CN(Cc3ccccc3F)CCCCN12 ZINC000095875464 JI Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3cccnc3)cc2)[C@H]2CN(Cc3ccccc3F)CCCCN21 ZINC000095875465 JI Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@H]2CN(Cc3ccccc3F)CCCCN12 ZINC000095875466 JI Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095875600 JI Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095875601 JI Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095875602 JI Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095875603 JI Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095875604 JI Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095875605 JI Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095875606 JI Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095875607 JI Annotated Anodyne COc1ccccc1C#Cc1ccc([C@@H]2[C@H]3CN(CCC(F)(F)F)CCCCN3[C@H]2CO)cc1 ZINC000095875687 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CCC(F)(F)F)C[C@H]23)cc1 ZINC000095875688 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@H]3CN(CCC(F)(F)F)CCCCN3[C@H]2CO)cc1 ZINC000095875689 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CCC(F)(F)F)C[C@@H]23)cc1 ZINC000095875690 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CCC(F)(F)F)C[C@@H]23)cc1 ZINC000095875691 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CCC(F)(F)F)C[C@@H]23)cc1 ZINC000095875692 JI Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CCC(F)(F)F)C[C@@H]23)cc1 ZINC000095875693 JI Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C4=CCCCC4)cc2)[C@@H]3CO)c1 ZINC000095875734 JI Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095875735 JI Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@H]3C2)c1 ZINC000095875736 JI Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C4=CCCCC4)cc2)[C@@H]3CO)c1 ZINC000095875737 JI Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095875738 JI Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095875760 JI Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095875761 JI Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@H]34)cc2)cc1 ZINC000095875762 JI Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@H]34)cc2)cc1 ZINC000095875763 JI Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875764 JI Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875765 JI Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095875766 JI Annotated Mild COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cccs5)C[C@@H]34)cc2)c1 ZINC000095875792 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cccs5)C[C@@H]34)cc2)c1 ZINC000095875793 JI Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5cccs5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875794 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccs5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875795 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccs5)C[C@H]34)cc2)c1 ZINC000095875796 JI Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccs5)C[C@H]34)cc2)c1 ZINC000095875797 JI Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccs5)C[C@@H]34)cc2)c1 ZINC000095876936 JI Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccs5)C[C@@H]34)cc2)c1 ZINC000095876937 JI Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5F)C[C@H]34)cc2)c1 ZINC000095877177 JI Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5F)C[C@H]34)cc2)c1 ZINC000095877178 JI Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5F)C[C@@H]34)cc2)c1 ZINC000095877179 JI Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5F)C[C@@H]34)cc2)c1 ZINC000095877180 JI Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)CCCCN4[C@H]3CO)cc2)c1 ZINC000095877181 JI Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5F)C[C@@H]34)cc2)c1 ZINC000095877182 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095877193 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095877194 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095877195 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095877196 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095877197 JI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095877198 JI Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095877281 JI Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095877282 JI Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095877283 JI Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095877284 JI Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095877285 JI Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095877286 JI Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095877287 JI Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095877288 JI Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(C#N)cc3)ccc1N(C)[C@H]2CO ZINC000095877330 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(C#N)c5)cc4[C@@H]32)cc1 ZINC000095877341 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(C#N)c5)cc4[C@H]32)cc1 ZINC000095877342 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4cccc(C#N)c4)ccc2N(C)[C@H]3CO)cc1 ZINC000095877343 JI Annotated Mild COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3C)c1 ZINC000095877344 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2C)[C@@H](CO)N3C)c1 ZINC000095877345 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3)cc1 ZINC000095877346 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2C)[C@@H](CO)N3)cc1 ZINC000095877347 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@@H](CO)N3)cc1 ZINC000095877348 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3)cc1 ZINC000095877349 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO ZINC000095877350 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095877351 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095877352 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095877353 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2)[C@@H](CO)N3C)c1 ZINC000095877356 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2)[C@H](CO)N3C)c1 ZINC000095877357 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4F)ccc2N[C@H]3CO)cc1 ZINC000095877378 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095877382 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095877383 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO ZINC000095877384 JI Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095877440 JI Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095877441 JI Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095877442 JI Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@H]1CO ZINC000095877476 JI Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@@H]1CO ZINC000095877477 JI Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@@H]1CO ZINC000095877478 JI Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@H]1CO ZINC000095877479 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(C#N)c5)cc4[C@H]32)c1 ZINC000095877510 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4cccc(C#N)c4)ccc2N(C)[C@H]3CO)c1 ZINC000095877511 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5cccc(C#N)c5)cc4[C@@H]32)c1 ZINC000095877512 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5cccc(F)c5)cc4[C@@H]32)c1 ZINC000095877513 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5cccc(F)c5)cc4[C@H]32)c1 ZINC000095877514 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5cccc(F)c5)cc4[C@@H]32)c1 ZINC000095877515 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)cc1 ZINC000095877530 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@H]32)cc1 ZINC000095877531 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4F)ccc2N(C)[C@H]3CO)cc1 ZINC000095877532 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@H](CO)N3C)c1 ZINC000095877536 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3C)c1 ZINC000095877537 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3C)cc1 ZINC000095877550 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3C)cc1 ZINC000095877551 JI Annotated Anodyne COc1ccccc1CN1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@@H]21 ZINC000095877552 JI Annotated Anodyne COc1ccccc1CN1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@H]21 ZINC000095877553 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095877577 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO ZINC000095877578 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccccc1F)[C@@H](CO)N2 ZINC000095877596 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095877604 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095877605 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095877606 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095877607 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5ccccc5F)cc4[C@@H]32)cc1 ZINC000095877608 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5ccccc5F)cc4[C@@H]32)cc1 ZINC000095877609 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5ccccc5F)cc4[C@H]32)cc1 ZINC000095877610 JI Annotated Mild COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095877611 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095877612 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095877613 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(C#N)cc3)ccc1N[C@H]2CO ZINC000095877614 JI Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(C#N)cc4)cc3[C@@H]21 ZINC000095877615 JI Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(C#N)cc4)cc3[C@H]21 ZINC000095877616 JI Annotated Mild COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3C)cc1 ZINC000095877617 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3C)cc1 ZINC000095877618 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3C)cc1 ZINC000095877619 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095877625 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO ZINC000095877626 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095877627 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095877628 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095877654 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095877655 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095877656 JI Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccc(F)cc1)[C@@H](CO)N2 ZINC000095877708 JI Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1ccc(F)cc1)[C@H](CO)N2 ZINC000095877709 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5cccc(F)c5)cc4[C@@H]32)cc1 ZINC000095877726 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5cccc(F)c5)cc4[C@H]32)cc1 ZINC000095877727 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5cccc(F)c5)cc4[C@@H]32)cc1 ZINC000095877728 JI Annotated Mild COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H](CO)N3C)c1 ZINC000095877735 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H](CO)N3C)c1 ZINC000095877736 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H](CO)N3C)c1 ZINC000095877737 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H](CO)N3C)c1 ZINC000095877738 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cccc(C)c1)[C@H](CO)N2 ZINC000095877798 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cccc(C)c1)[C@@H](CO)N2 ZINC000095877799 JI Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095877851 JI Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095877852 JI Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095877853 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5ccc(F)cc5)cc4[C@H]32)c1 ZINC000095878031 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5ccc(F)cc5)cc4[C@@H]32)c1 ZINC000095878032 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C#Cc4ccc(F)cc4)ccc2N[C@H]3CO)c1 ZINC000095878034 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5ccc(F)cc5)cc4[C@@H]32)c1 ZINC000095878036 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)c1 ZINC000095878037 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@H]32)c1 ZINC000095878038 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(C#N)cc4)ccc2N(C)[C@H]3CO)c1 ZINC000095878040 JI Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095878041 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO ZINC000095878043 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095878045 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095878047 JI Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095878069 JI Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095878070 JI Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095878071 JI Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@H]1CO ZINC000095878108 JI Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@@H]1CO ZINC000095878109 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878143 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO ZINC000095878144 JI Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2ccc3c(c2)OCO3)[C@@H]1CO ZINC000095878178 JI Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc3c(c2)OCO3)[C@@H]1CO ZINC000095878179 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095878192 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878193 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878194 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095878195 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2)[C@H](CO)N3)cc1 ZINC000095878211 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2)[C@H](CO)N3)cc1 ZINC000095878212 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2)[C@@H](CO)N3)cc1 ZINC000095878213 JI Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1cccc(F)c1)[C@H](CO)N2 ZINC000095878255 JI Annotated Mild O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878266 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO ZINC000095878267 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878268 JI Annotated Anodyne CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095878273 JI Annotated Clean CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095878274 JI Annotated Clean CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878277 JI Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878278 JI Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878279 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(C)cc1)[C@@H](CO)N2 ZINC000095878280 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccc(C)cc1)[C@H](CO)N2 ZINC000095878281 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@@H]32)cc1 ZINC000095878299 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@@H]32)cc1 ZINC000095878300 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4F)ccc2N[C@H]3CO)cc1 ZINC000095878301 JI Annotated Anodyne COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@H]32)cc1 ZINC000095878302 JI Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3)c1 ZINC000095878308 JI Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878320 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878321 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095878322 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095878323 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878351 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@H]2CO ZINC000095878352 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)cc1 ZINC000095878375 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3)cc1 ZINC000095878376 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)cc1 ZINC000095878377 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3)cc1 ZINC000095878378 JI Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878405 JI Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878406 JI Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO ZINC000095878407 JI Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095878408 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095878410 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095878411 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878412 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3C)c1 ZINC000095878413 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3C)c1 ZINC000095878414 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4F)ccc2N[C@H]3CO)c1 ZINC000095878415 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@H]32)c1 ZINC000095878416 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@@H]32)c1 ZINC000095878417 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccccc5F)cc4[C@@H]32)c1 ZINC000095878418 JI Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(C#N)c3)ccc1N[C@H]2CO ZINC000095878422 JI Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(C#N)c4)cc3[C@H]21 ZINC000095878423 JI Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(C#N)c4)cc3[C@@H]21 ZINC000095878424 JI Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@H]32)c1 ZINC000095878446 JI Annotated Clean COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C4=CCCCC4)ccc2N(C)[C@H]3CO)c1 ZINC000095878447 JI Annotated Clean COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@@H]32)c1 ZINC000095878448 JI Annotated Clean CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3)c1 ZINC000095878474 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3)c1 ZINC000095878475 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1 ZINC000095878476 JI Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1 ZINC000095878477 JI Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N(C)[C@H]2CO ZINC000095878483 JI Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095878484 JI Annotated Mild COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095878485 JI Annotated Mild COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3C)cc1 ZINC000095878517 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3C)cc1 ZINC000095878518 JI Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@@H](CO)N3C)cc1 ZINC000095878519 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)cc1 ZINC000095878524 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)cc1 ZINC000095878525 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)cc1 ZINC000095878526 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)cc1 ZINC000095878527 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)cc1 ZINC000095878538 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)cc1 ZINC000095878539 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@H]32)cc1 ZINC000095878540 JI Annotated Mild CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H]1CO ZINC000095878584 JI Annotated Clean COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3)cc1 ZINC000095878614 JI Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3)cc1 ZINC000095878615 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@H]32)c1 ZINC000095878645 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)c1 ZINC000095878646 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4F)ccc2N(C)[C@H]3CO)c1 ZINC000095878647 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)c1 ZINC000095878648 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccc3c(c1)OCO3)[C@H](CO)N2 ZINC000095878651 JI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C#Cc4ccc(F)cc4)ccc2N[C@H]3CO)cc1 ZINC000095878680 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5ccc(F)cc5)cc4[C@@H]32)cc1 ZINC000095878681 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5ccc(F)cc5)cc4[C@H]32)cc1 ZINC000095878682 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5ccc(F)cc5)cc4[C@@H]32)cc1 ZINC000095878683 JI Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@@H]1CO ZINC000095878693 JI Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(C#N)c4)cc3[C@@H]21 ZINC000095878694 JI Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(C#N)c3)ccc1N(C)[C@H]2CO ZINC000095878695 JI Annotated Mild O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095878750 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO ZINC000095878751 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095878752 JI Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095878753 JI Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3C)c1 ZINC000095878774 JI Annotated Mild COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3C)c1 ZINC000095878778 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3C)c1 ZINC000095878779 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3C)c1 ZINC000095878780 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cccc(F)c1)[C@H](CO)N2 ZINC000095878795 JI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cccc(F)c1)[C@@H](CO)N2 ZINC000095878796 JI Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)Cc1ccccc1)[C@@H](CO)N2 ZINC000095878807 JI Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)N(C)c3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095878822 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)cc1 ZINC000095878848 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@H]32)cc1 ZINC000095878849 JI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(C#N)cc4)ccc2N(C)[C@H]3CO)cc1 ZINC000095878850 JI Annotated Mild COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@@H](CO)N3)c1 ZINC000095878856 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3)c1 ZINC000095878857 JI Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3)c1 ZINC000095878858 JI Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5ccccc5F)cc4[C@@H]32)c1 ZINC000095878874 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5ccccc5F)cc4[C@@H]32)c1 ZINC000095878875 JI Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5ccccc5F)cc4[C@H]32)c1 ZINC000095878876 JI Annotated Mild C[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)c5ccc(N)cc45)cc3)c(N)c2)cc1 ZINC000095882178 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095888027 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095888028 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095888029 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095888030 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095888031 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095888032 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095888033 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095888034 JI Annotated Anodyne Cc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)C5CCC5)cc4C(=O)N3C)O2)c1 ZINC000095888661 JI Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(Cl)c3)O[C@@H]1CO2 ZINC000095888693 JI Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(C)cc3)O[C@@H]1CO2 ZINC000095888726 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000095889022 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)Nc3ccccc3)CC[C@H]21 ZINC000095889023 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000095889024 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000095889025 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccccc3)CC[C@H]21 ZINC000095889026 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)Nc3ccccc3)CC[C@H]21 ZINC000095889027 JI Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)Nc3ccccc3)CC[C@H]21 ZINC000095889028 JI Annotated Anodyne C[C@H]1[C@@H]2[C@H](O)[C@@]3([C@H](C)C(=O)O)CC[C@]2(C)[C@H]3C[C@H]1OS(=O)(=O)c1ccc2[nH]c(=S)sc2c1 ZINC000095889833 JI Annotated Mild CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(C)c3)O[C@@H]1CO2 ZINC000095891459 JI Annotated Anodyne Cc1ccccc1NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095891921 JI Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(C(C)C)c3)O[C@@H]1CO2 ZINC000095892175 JI Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892737 JI Annotated Anodyne Cc1ccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)C5CCC5)cc4C(=O)N3C)O2)cc1 ZINC000095892926 JI Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095894279 JI Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095894280 JI Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095894281 JI Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095894282 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095894542 JI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095894543 JI Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)Nc4ccccc4F)[C@H]3CO)cc2)cc1 ZINC000095897773 JI Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)Nc4ccccc4F)[C@H]3CO)cc2)cc1 ZINC000095897774 JI Annotated Mild CCOC(=O)c1cc2c(c(-c3cccc(Br)c3)n1)[C@H](CCO)N(C(=O)NC(C)C)C2 ZINC000095898338 JI Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(Br)c3)n1)[C@@H](CCO)N(C(=O)NC(C)C)C2 ZINC000095898339 JI Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)N(C)C)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898885 JI Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899043 JI Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899044 JI Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899045 JI Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899046 JI Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899047 JI Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899048 JI Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899049 JI Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899050 JI Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899051 JI Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899052 JI Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899053 JI Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899054 JI Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899055 JI Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899056 JI Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899057 JI Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899058 JI Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899340 JI Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095899341 JI Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899342 JI Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899343 JI Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899344 JI Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095899345 JI Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899529 JI Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899530 JI Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899531 JI Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899532 JI Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899533 JI Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899534 JI Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899535 JI Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899536 JI Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899537 JI Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899538 JI Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899539 JI Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899540 JI Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899541 JI Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899542 JI Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899543 JI Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)O[C@@H](CO)[C@H]1O2 ZINC000095899973 JI Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)O[C@H](CO)[C@@H]1O2 ZINC000095899974 JI Annotated Clean O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095900035 JI Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095900036 JI Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095900037 JI Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095900038 JI Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095900039 JI Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095900040 JI Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095900041 JI Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095900042 JI Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095901855 JI Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095901856 JI Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095901857 JI Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095901858 JI Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095901859 JI Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095901860 JI Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095901861 JI Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095901862 JI Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@@H](CO)[C@H]1O2 ZINC000095901919 JI Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@@H](CO)[C@H]1O2 ZINC000095901920 JI Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@H](CO)[C@@H]1O2 ZINC000095901921 JI Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095901922 JI Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@H](CO)[C@H]1O2 ZINC000095901923 JI Annotated Clean O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095902148 JI Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095902149 JI Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095902150 JI Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095902151 JI Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095902152 JI Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095902153 JI Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095902154 JI Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095902155 JI Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095904706 JI Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095904707 JI Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095904708 JI Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095904709 JI Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095904710 JI Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095904711 JI Annotated Anodyne C[C@H]1[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000095909360 JI Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1 ZINC000095909378 JI Annotated Anodyne in-vitro biogenic CO[C@@]12C[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@@H]3C[C@H](OC=O)[C@@H]([C@@H]31)[C@](C)([C@@H]1C[C@H](C)[C@@H](C)C(=O)O1)O2 ZINC000095909537 JI Annotated Anodyne C=C1C(=O)O[C@@H]2C3=C(C)[C@@H]4C[C@@]3([C@](C)(O)CC[C@@H]12)[C@]1(C4)C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23 ZINC000095909666 JI Annotated Mild in-vitro biogenic C=C1C(=O)O[C@@H]2C3=C(C)[C@@H]4C[C@@]3([C@@](C)(O)CC[C@@H]12)[C@]1(C4)C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23 ZINC000095909667 JI Annotated Mild in-vitro biogenic CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@]24C[C@H]2C[C@]45C(=C2C)[C@@H]2OC(=O)[C@H](C)[C@@H]2CC[C@@]5(C)O)[C@@H]13 ZINC000095909668 JI Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@](C)([C@H]21)[C@@]1(C3)C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23 ZINC000095909669 JI Annotated Mild in-vitro biogenic COC(=O)[C@@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)OC[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000095909831 JI Annotated Anodyne in-vitro biogenic COC(=O)[C@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)OC[C@H]1c1ccc(O)c(OC)c1 ZINC000095909832 JI Annotated Anodyne in-vitro biogenic COC(=O)[C@H]1c2cc3c(cc2OC[C@H]1c1ccc(O)c(OC)c1)CCc1cc(O)cc(OC)c1-3 ZINC000095909833 JI Annotated Anodyne in-vitro biogenic CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@]4(O)[C@H](C[C@@H]5C[C@@H](C)C[C@H]6[C@@H]5C[C@@H]4CN6C)N3)C[C@H](C)C[C@H]21 ZINC000095910575 JI Annotated Anodyne in-vitro biogenic O=C1C=CC[C@H]([C@H](O)[C@H](c2ccccc2)c2c(O)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)O1 ZINC000095911780 JI Annotated Anodyne in-vitro biogenic C[C@@]12CC[C@@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)[C@H](O)C[C@]13C)C2 ZINC000095913391 JI Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)O[C@@H]2[C@@H](OC(C)=O)[C@@H]3C[C@@H](C)C[C@@]45[C@@H]2CCCN4CCC[C@H]35)ccc1O ZINC000095913400 JI Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H](C=C(C)C)C[C@H](C)[C@H]1[C@H](OC(C)=O)C=C(C)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095913705 JI Annotated Anodyne in-vitro biogenic CC(C)C1=CC(=O)[C@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4C(=O)C=C5[C@@H](CC[C@@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000095914384 JI Annotated Anodyne C/C=C(\C)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@H](CCO)COC(C)=O ZINC000095919112 JI Annotated Anodyne in-vitro biogenic CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000095919407 JI Annotated Mild in-vitro biogenic O=S(=O)(c1ccc2[nH]cc(/C=N/NC(=S)Nc3cccc(Cl)c3)c2c1)N1CCCCC1 ZINC000095920402 JI Annotated Mild C=CCN(Cc1ccccc1C(=O)NCc1ccccc1)Cc1ccc2c(c1C(=O)O)OCO2 ZINC000095920616 JI Annotated Mild N#C/C=C/c1cc(Br)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000095920677 JI Annotated Reactive O=C(NC1(c2ccc(F)cc2)CC1)c1ccc2nc(NC3CCC(O)CC3)c3nccn3c2c1 ZINC000095920742 JI Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F ZINC000095920932 JI Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccn[nH]c2=O)cc1C(C)(C)C ZINC000095920965 JI Annotated Anodyne COc1c(-c2cc3ccc(NS(C)(=O)=O)cc3c(=O)o2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000095920966 JI Annotated Anodyne CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@@H]2CCCN(C)C2)C1 ZINC000095921176 JI Annotated Anodyne in-vitro CC(C)=CCC/C(C)=C/CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000096017934 JI Annotated Mild Clc1ccc([C@H]2OC[C@@]3(CNCCN4CCOCC4)CS[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000096018456 JI Annotated Anodyne CC(C)(C)N1Cc2nnn(Cc3ccccc3)c2-c2cc(N3CCCCC3)ccc2S1(=O)=O ZINC000096019366 JI Annotated Anodyne CCCCCCCCN1CCS(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)[C@H](C(=O)OC)C1 ZINC000096020341 JI Annotated Anodyne CC(C)C[C@H]1COc2cccc(F)c2S(=O)(=O)N1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020650 JI Annotated Anodyne Cc1ccc(Cn2cc(CN3[C@@H](CC(C)C)COc4ccc(Cl)cc4S3(=O)=O)nn2)cc1 ZINC000096020675 JI Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(N3CCCCC3)c2S1(=O)=O ZINC000096021358 JI Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(N3CCCCC3)c2S1(=O)=O ZINC000096021359 JI Annotated Anodyne C=C1CC[C@@H](C(C)(C)O)[C@H]2[C@@H]3Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@]3(C)CC[C@@]12O ZINC000096085427 JI Annotated Mild in-vitro CC1=C[C@@H]2CC3=C(C(=O)C[C@@]4(C)[C@@H]5CC[C@@H]6C(=C[C@@]5(O)C[C@@H]34)C=CC(=O)OC6(C)C)[C@H](C)[C@@H]2OC1=O ZINC000096085499 JI Annotated Mild in-vitro COc1c(-c2ccc(O)c3c2C[C@@H]([C@@](C)(O)CCC=C(C)C)O3)oc2cc(O)cc(O)c2c1=O ZINC000096085909 JI Annotated Anodyne in-vitro COc1c(-c2ccc(O)c3c2C[C@@H]([C@](C)(O)CCC=C(C)C)O3)oc2cc(O)cc(O)c2c1=O ZINC000096085910 JI Annotated Anodyne in-vitro CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)C3=C([C@H](O)C[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000096086193 JI Annotated Anodyne in-vitro C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000096086214 JI Annotated Mild C[C@H](C[C@@H](O)[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086295 JI Annotated Anodyne in-vitro C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000096086376 JI Annotated Mild CC[C@H]1[C@@H]2C=C[C@@H]3[C@@H]4C/C=C\C(=O)NCCC[C@@H]5NC(=O)C(=C5O)C(=O)/C=C/[C@H]4C[C@@H]3[C@H]2C[C@H]1C ZINC000096095298 JI Annotated Mild in-vitro O=C(NCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CC2CC2)[C@@H]1c1cccc2c1OCO2 ZINC000096142726 JI Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CC2CC2)[C@H]1c1cccc2c1OCO2 ZINC000096142727 JI Annotated Anodyne N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(C(=O)O)cc23)nc1 ZINC000096167596 JI Annotated Mild O=C(NCc1ccc(F)cc1)O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168529 JI Annotated Anodyne CN(C(=O)O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1cccc(F)c1 ZINC000096168539 JI Annotated Anodyne C/C(=N\NC(=S)NCc1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169123 JI Annotated Mild CN1CCC(c2ccc(Cc3nc4c(Nc5ccccc5S(C)(=O)=O)cccn4n3)cc2)CC1 ZINC000096169648 JI Annotated Anodyne CN1CCC(c2cccc(Cc3nc4c(-c5cccc(N(C)S(C)(=O)=O)c5)cccn4n3)c2)CC1 ZINC000096169652 JI Annotated Anodyne CN1CCC(c2cccc(Cc3nc4c(-c5ccccc5N(C)S(C)(=O)=O)cccn4n3)c2)CC1 ZINC000096169653 JI Annotated Anodyne CN1CCC(c2ccc(Cc3nc4c(NCc5ccccc5S(C)(=O)=O)cccn4n3)cc2)CC1 ZINC000096169663 JI Annotated Anodyne c1ccc2cc3[nH]c(CNc4nc(N5CCOCC5)nc5c4ncn5-c4ccsc4)nc3cc2c1 ZINC000096170010 JI Annotated Anodyne NC(=O)c1ccc(C(=O)NCc2c(-c3ncco3)n(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1 ZINC000096170092 JI Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cn(Cc2ccccc2)nn1 ZINC000096170146 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)C1 ZINC000096170273 JI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)C1 ZINC000096170274 JI Annotated Anodyne C[C@@H](Nc1nc(Nc2ccc([S@@](=N)(=O)CC3CC3)cc2)ncc1Br)C(C)(C)O ZINC000096170606 JI Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1COCC[C@H]1NC1CCC(O)CC1 ZINC000096170662 JI Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(Nc1cc(Cl)nc(Cl)n1)=NC2 ZINC000096172400 JI Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1cc(Cl)nc(Cl)n1)=NC2 ZINC000096172401 JI Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccsc2n1 ZINC000096172464 JI Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1 ZINC000096172465 JI Annotated Anodyne Cc1cc2c(NC3=NCC4=C3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc2s1 ZINC000096172468 JI Annotated Anodyne Cc1csc2c(NC3=NCC4=C3CN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)C4(C)C)ncnc12 ZINC000096172480 JI Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1 ZINC000096172512 JI Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1 ZINC000096172513 JI Annotated Anodyne COCCN(c1c(OC)nn2c(-c3c(OC)cc(C#N)cc3OC)csc12)C1CCCC1 ZINC000096172609 JI Annotated Mild CCOC(=O)c1cnc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1C(F)(F)F ZINC000096172951 JI Annotated Anodyne CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cnc(NC(=O)CO)s4)cc3)C2)cc1 ZINC000096172981 JI Annotated Clean CN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cncc5ccccc45)c4nccnc34)nc2)CC1 ZINC000096173401 JI Annotated Anodyne CN1CCN(CC2=CCC(NC(=O)c3ccc(-c4csc5ccccc45)c4nccnc34)=N2)CC1 ZINC000096173403 JI Annotated Anodyne COc1cc(OC)c(F)c(-c2ccc(C(=O)NC3=NC(CN4CCCC4)=CC3)c3nccnc23)c1F ZINC000096173411 JI Annotated Anodyne COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccn(CCN(C)C)c3)c3nccnc23)c1F ZINC000096173422 JI Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)NC3=NC(CN(C)C)=CC3)c3nccnc23)c1F ZINC000096173425 JI Annotated Anodyne COc1cc(OC)c(F)c(-c2ccc(C(=O)NC3=NC(CN(C)C)=CC3)c3ncccc23)c1F ZINC000096173432 JI Annotated Anodyne O=C1CCCN1CCCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096174008 JI Annotated Anodyne CCN(c1cc2nn(-c3ccc(NCC(C)C)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174171 JI Annotated Anodyne CCCCOc1ccc(C(=O)N(C)[C@@H]2Cc3ccc(CNCC4(C)CCOCC4)cc3C2)nc1 ZINC000096174238 JI Annotated Anodyne CCNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000096174555 JI Annotated Anodyne CC(C)Nc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000096174558 JI Annotated Anodyne Cc1cc(NS(C)(=O)=O)c(F)c(-c2nc(C3(C)CC3)[nH]c2-c2ccnc(CCCC#N)n2)c1 ZINC000096174565 JI Annotated Mild CCCS(=O)(=O)Nc1cccc(-c2nc(C3CC3)[nH]c2-c2ccnc(NCCC#N)n2)c1F ZINC000096174610 JI Annotated Mild Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccncc5)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175290 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccncc5)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175291 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccn4)c31)[C@H]1CC[C@@H](C2)N1 ZINC000096175331 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccn4)c31)[C@@H]1CC[C@H](C2)N1 ZINC000096175332 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4cccnc4)c31)[C@H]1CC[C@@H](C2)N1 ZINC000096175333 JI Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4cccnc4)c31)[C@@H]1CC[C@H](C2)N1 ZINC000096175334 JI Annotated Anodyne O=C(NCC#Cc1ccc2nccc(NC3CC3)c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O ZINC000096176222 JI Annotated Mild CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3cccn([C@@H](C)c4ccccc4)c3=O)cc12 ZINC000096176312 JI Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176418 JI Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1S(C)(=O)=O ZINC000096176470 JI Annotated Mild COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176492 JI Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000096176493 JI Annotated Mild COCCOc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176497 JI Annotated Mild COCCOc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176508 JI Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCO ZINC000096176522 JI Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@@H]1c1cccnc1OCCO ZINC000096176530 JI Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCCO ZINC000096176533 JI Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(N)=O ZINC000096176546 JI Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCC(=O)O ZINC000096176552 JI Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1cccnc1OCCO ZINC000096176583 JI Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176588 JI Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000096176624 JI Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176628 JI Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176650 JI Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176663 JI Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176675 JI Annotated Mild COCCOc1cc(F)ccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176721 JI Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OCCCO)cc2)no1 ZINC000096176796 JI Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccnc3OCCO)cc2)o1 ZINC000096176834 JI Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000096176838 JI Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3OCC#N)cc2)no1 ZINC000096176859 JI Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccccc3OCC#N)cc2)no1 ZINC000096176861 JI Annotated Mild COCCOc1ncccc1[C@@H]1C(C(=O)C2CCCC2)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176872 JI Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000096176883 JI Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176901 JI Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCCO ZINC000096176917 JI Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3N3CCCC3=O)cc2)no1 ZINC000096176947 JI Annotated Mild Cc1noc(-c2ccc(N3C(=O)c4[nH]nc(C(C)(C)C)c4[C@@H]3c3ccccc3OCCO)cc2)n1 ZINC000096176964 JI Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)c4[nH]nc(C(C)(C)C)c4[C@H]3c3ccccc3OCCO)cc2)no1 ZINC000096176965 JI Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1cccnc1OCCO)N(c1ccc(-c3ccoc3)cc1)C2=O ZINC000096177049 JI Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1cccnc1OCCO)N(c1ccc(-c3ccco3)cc1)C2=O ZINC000096177051 JI Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1cccnc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177062 JI Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177085 JI Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177108 JI Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177140 JI Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000096177144 JI Annotated Anodyne COc1ccc2nc(N3C(=O)c4[nH]nc(C(C)(C)CO)c4[C@@H]3c3ccccc3OC)sc2c1 ZINC000096177150 JI Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C(=O)O)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177165 JI Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C(=O)N(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177167 JI Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(Br)cc1 ZINC000096177223 JI Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(CO)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177273 JI Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177286 JI Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096177287 JI Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000096177288 JI Annotated Anodyne Cc1ccc(CC(=O)c2ccc(CN3C(=O)C=CC3=O)cc2)cc1Cc1nccc(-c2cccnc2)n1 ZINC000096177475 JI Annotated Anodyne CCc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)n2)c1F ZINC000096177661 JI Annotated Anodyne Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@@H](O)[C@H](N)C3)n2)c1F ZINC000096177673 JI Annotated Anodyne Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@H](O)[C@H](N)C3)n2)c1F ZINC000096177674 JI Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@H](O)[C@H](N)C3)ccc2F)c1F ZINC000096177683 JI Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@@H](O)[C@H](N)C3)ccc2F)c1F ZINC000096177687 JI Annotated Anodyne COc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@@H](O)[C@H](N)C3)ccc2F)c1F ZINC000096177690 JI Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177693 JI Annotated Anodyne CCCOc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)c(N)cc2F)c1 ZINC000096177708 JI Annotated Anodyne CCCOc1ccc(F)c(-c2ccc(N)c(C(=O)Cc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)n2)c1 ZINC000096177709 JI Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@H](O)[C@H](N)C3)ccc2F)c1 ZINC000096177714 JI Annotated Anodyne CCCOc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)n2)c1 ZINC000096177725 JI Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1O ZINC000096177726 JI Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)[C@@H]1O ZINC000096177727 JI Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O)[C@@H]1O ZINC000096177764 JI Annotated Anodyne C[C@@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1O ZINC000096177779 JI Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1O ZINC000096177780 JI Annotated Anodyne C[C@@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O)[C@H]1O ZINC000096177786 JI Annotated Anodyne CCOC(=O)c1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1 ZINC000096258060 JI Annotated Anodyne Cn1c(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc2ccccc21 ZINC000096258223 JI Annotated Anodyne O=C(N=c1[nH]c2ccccc2[nH]1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000096258225 JI Annotated Anodyne CCC[C@@H](Cn1c(=O)n(Cc2cc(Br)cc3[nH]c(=O)sc23)c2ccccc21)C(=O)O ZINC000096270255 JI Annotated Anodyne CCC[C@H](Cn1c(=O)n(Cc2cc(Br)cc3[nH]c(=O)sc23)c2ccccc21)C(=O)O ZINC000096270256 JI Annotated Anodyne CCCC[C@]1(CC)CS(=O)(=O)c2cc(CP(=O)(O)O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270854 JI Annotated Anodyne O=C(CCCOc1cc(=O)oc2ccccc12)N1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000096271525 JI Annotated Anodyne CC(C)(c1cc(-c2sc(NC(=O)N3CCC[C@H]3C(N)=O)nc2Cl)ccn1)C(F)(F)F ZINC000096272373 JI Annotated Anodyne CC[C@]1(C)C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1CCC(F)(F)F ZINC000096272650 JI Annotated Anodyne CC[C@@]1(C)C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1CCC(F)(F)F ZINC000096272651 JI Annotated Anodyne COc1cccc(F)c1CN1CCC[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)C1 ZINC000096273268 JI Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N2CCc3ccccc3C2)C1=O ZINC000096273422 JI Annotated Anodyne COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)C3CCCCC3)C2=O)cc(OC)c1 ZINC000096273439 JI Annotated Anodyne COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1 ZINC000096273442 JI Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1=O ZINC000096273470 JI Annotated Anodyne COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 ZINC000096273491 JI Annotated Anodyne CC(=O)N(C(C)=O)c1nc(-c2nnc(S)n2-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000096282320 JI Annotated Anodyne COC(=O)c1c(NC(=O)CSc2ccc(Br)cc2)cnn1CCc1ccccc1 ZINC000096283167 JI Annotated Anodyne Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 ZINC000096283992 JI Annotated Anodyne CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 ZINC000096283994 JI Annotated Anodyne COc1ccc(CC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ncccn4)cc2Cl)C3)cc1 ZINC000096284004 JI Annotated Anodyne COc1ccnc(N2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)CC2)c1 ZINC000096284543 JI Annotated Anodyne CC1=N[C@@H]2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccc(F)cc3)C[C@H]2O1 ZINC000096284547 JI Annotated Anodyne CC1=N[C@H]2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccc(F)cc3)C[C@H]2O1 ZINC000096284548 JI Annotated Anodyne CC1=N[C@@H]2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccc(F)cc3)C[C@@H]2O1 ZINC000096284549 JI Annotated Anodyne CC1=N[C@H]2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccc(F)cc3)C[C@@H]2O1 ZINC000096284550 JI Annotated Anodyne CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(C(=O)N[C@@H](C)CO)n1C ZINC000096285620 JI Annotated Anodyne CCC(CC)(c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1)c1ccc(C(=O)N[C@@H](C)CO)n1C ZINC000096285621 JI Annotated Anodyne CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(C(=O)NCCCO)n1C ZINC000096285622 JI Annotated Anodyne CCC(CC)(c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1)c1ccc(C(=O)NCCCO)n1C ZINC000096285623 JI Annotated Anodyne CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(C(=O)NCC(=O)OC)n1C ZINC000096285626 JI Annotated Anodyne Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCN(c2ccc4cc(C#N)ccc4n2)CC1)O3 ZINC000096307643 JI Annotated Mild Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl ZINC000096883600 JI Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl ZINC000096883606 JI Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@@H](Cc4ccco4)O[C@H]1/C(=C/Cc1ccco1)C(=O)[C@@]23C ZINC000096888403 JI Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@H](Cc4ccco4)O[C@H]1/C(=C/Cc1ccco1)C(=O)[C@@]23C ZINC000096888404 JI Annotated Mild [C-]#[N+][C@]12[C@H](O)C(=O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C ZINC000096888413 JI Annotated Reactive O=C1/C(=N\CCc2cc(Br)c(O)c(Br)c2)C=C(O)c2cccnc21 ZINC000096900133 JI Annotated Mild C[C@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@@H]3[C@@H](C)CO[C@]3(C)O5)C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12 ZINC000096900519 JI Annotated Anodyne Cc1ccc(C)c(NC(=S)/N=N\c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000096901981 JI Annotated Clean Cc1ccc(C)c(NC(=S)/N=N/c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000096901982 JI Annotated Clean CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2)CCNC3)c1 ZINC000096903450 JI Annotated Anodyne COc1ccc(-c2cc(SC)nc(Nc3nc(NC(C)C)nc(NC(C)C)n3)n2)cc1OC ZINC000096903588 JI Annotated Anodyne C[C@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@H]2O[C@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000096904686 JI Annotated Mild C[C@H](c1ccc2c(c1)CC[C@@H]1[C@H]2C[C@H]2O[C@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000096904688 JI Annotated Mild COCCCn1c(=O)nc(-c2ccc(N3CCN(C(C)C)CC3)nc2)c2oc3ccc(Cl)cc3c21 ZINC000096906337 JI Annotated Anodyne COc1ccc(C2=NO[C@]3(C2)C(=O)O[C@@H]2C4=C(C)C(=O)C=C[C@]4(C)CC[C@H]23)cc1Br ZINC000096906641 JI Annotated Mild COc1ccc(C2=NO[C@@]3(C2)C(=O)O[C@@H]2C4=C(C)C(=O)C=C[C@]4(C)CC[C@H]23)cc1Br ZINC000096906642 JI Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(CC(c5ccc(Br)c(F)c5)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906647 JI Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(CC(c5ccc(Br)c(F)c5)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906648 JI Annotated Mild N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(OC(F)F)ccc12 ZINC000096907021 JI Annotated Mild C[C@@H](C#N)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1 ZINC000096907031 JI Annotated Mild C[C@H](C#N)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1 ZINC000096907032 JI Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)nc1 ZINC000096907038 JI Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cn1 ZINC000096907039 JI Annotated Mild CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4ccc(-c5cnn(C)c5)cc4c32)CCO1 ZINC000096907433 JI Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4ccc(-c5cncn5C)cc4c32)CCO1 ZINC000096907434 JI Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4ccc(-c5cn(C)cn5)cc4c32)CCO1 ZINC000096907435 JI Annotated Anodyne COc1ccc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cc1 ZINC000096907440 JI Annotated Anodyne COc1ccc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cc1 ZINC000096907441 JI Annotated Anodyne CCc1ccc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907446 JI Annotated Anodyne CCc1ccc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907447 JI Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)c1ccc(Cl)cc1 ZINC000096908988 JI Annotated Anodyne CCOC(=O)[C@@H]1CS[C@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)c1ccc(Cl)cc1 ZINC000096908989 JI Annotated Anodyne CCOC(=O)C1=N[C@@]2(SC1)C(=O)N(C(=O)c1ccc(Cl)cc1)c1ccc(Br)cc12 ZINC000096909006 JI Annotated Anodyne COc1cc(-c2c(COC(C)=O)c(COC(C)=O)cc3ccc4c(c23)OCO4)ccc1OC(C)=O ZINC000096909336 JI Annotated Anodyne COc1ccc(-c2c(COC(C)=O)c(COC(C)=O)cc3ccc4c(c23)OCO4)cc1OC(C)=O ZINC000096909447 JI Annotated Anodyne O=c1nc(CN2CCOCC2)[nH]c2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc12 ZINC000096909535 JI Annotated Anodyne CN1CCN(Cc2nc3cc(-c4cn(Cc5ccccc5)c5ccccc45)sc3c(=O)[nH]2)CC1 ZINC000096909536 JI Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1 ZINC000096909611 JI Annotated Anodyne Cc1cnn(-c2ccc(C)nc2C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)c1 ZINC000096909615 JI Annotated Anodyne O=C(c1ncccc1-c1ncccn1)N1CC2(CC2)C[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000096909617 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccncc1 ZINC000096909640 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccncc1 ZINC000096909641 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccncc1 ZINC000096909642 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccncc1 ZINC000096909643 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](NCc1ccccc1)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 ZINC000096909668 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](NCc1ccccc1)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 ZINC000096909669 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](NCc1ccccc1)c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 ZINC000096909670 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](NCc1ccccc1)c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 ZINC000096909671 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1)N1CCc2ccccc2C1 ZINC000096909680 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1)N1CCc2ccccc2C1 ZINC000096909681 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1)N1CCc2ccccc2C1 ZINC000096909682 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1)N1CCc2ccccc2C1 ZINC000096909683 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccccc1)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 ZINC000096909684 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccccc1)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 ZINC000096909685 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccccc1)c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 ZINC000096909686 JI Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccccc1)c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 ZINC000096909687 JI Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(-c4ccccc4)ccc3=O)c2)CC1 ZINC000096909788 JI Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2cc(C(F)(F)F)ccn2)n1 ZINC000096909841 JI Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cn(CC(N)=O)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909870 JI Annotated Anodyne COc1cc(-c2cc(-c3ccc([C@H]4NC(=O)c5ccccc5N4)cc3)nc(N)n2)cc(OC)c1OC ZINC000096909908 JI Annotated Anodyne COc1cc(-c2cc(-c3ccc([C@@H]4NC(=O)c5ccccc5N4)cc3)nc(N)n2)cc(OC)c1OC ZINC000096909909 JI Annotated Anodyne COc1cccc(-c2cc(-c3ccc([C@H]4NC(=O)c5ccccc5N4)cc3)nc(N)n2)c1OC ZINC000096909910 JI Annotated Anodyne COc1cccc(-c2cc(-c3ccc([C@@H]4NC(=O)c5ccccc5N4)cc3)nc(N)n2)c1OC ZINC000096909911 JI Annotated Anodyne O=c1[nH]nc(COc2c(Br)cc(Br)c3cccnc23)n1-c1ccccc1 ZINC000096910077 JI Annotated Anodyne O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1ccccc1 ZINC000096910082 JI Annotated Reactive Cc1cc(C)n2nc(SCc3nnc(SCc4cc(=O)oc5cc(O)cc(C)c45)s3)nc2n1 ZINC000096910556 JI Annotated Anodyne CC(=O)N1CCc2cc(NC(=O)c3ccc4nc(C)c(N(C)C(=O)CCc5ccccc5)n4c3)ccc21 ZINC000096910685 JI Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4coc5ccccc5c4=O)s3)nc2n1 ZINC000096911301 JI Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4cc(=O)c5ccccc5o4)s3)nc2n1 ZINC000096911314 JI Annotated Anodyne CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc([N+](=O)[O-])c2)cc(Cl)c1O ZINC000096913596 JI Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(NC(C)=O)c2)cc(Cl)c1O ZINC000096913598 JI Annotated Mild N#C[C@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 ZINC000096913725 JI Annotated Mild N#C[C@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 ZINC000096913726 JI Annotated Mild N#C[C@@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 ZINC000096913727 JI Annotated Mild N#C[C@@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 ZINC000096913728 JI Annotated Mild CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1nc2cc(C(=O)NCCOCCO)ccc2n1Cc1ccco1 ZINC000096913781 JI Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1nc2cc(C(=O)NCCOCCO)ccc2n1Cc1ccco1 ZINC000096913783 JI Annotated Anodyne O=C(Cc1cccc(Br)c1)OCCOC1=C(c2ccc(Cl)cc2)C(=O)OC1 ZINC000096914300 JI Annotated Anodyne O=C(Cc1ccc(Br)cc1)OCCOC1=C(c2ccc(Cl)cc2)C(=O)OC1 ZINC000096914304 JI Annotated Anodyne C/N=C(\N)c1ccc(NC(=N)c2ccc(Cl)c(C(=N)Nc3ccc(C(=N)NC)cc3)c2)cc1 ZINC000096914696 JI Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@H](OC(C)=O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000096914958 JI Annotated Mild O=C(/C=C/c1ccc(CN(CCCOc2ccccc2)CCc2ccc3c(c2)OCO3)o1)NO ZINC000096915081 JI Annotated Bother O=C(/C=C/c1ccc(CN(CCCCOc2ccccc2)CCc2ccc3c(c2)OCO3)o1)NO ZINC000096915082 JI Annotated Bother Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)ccc2C)n(C)n1 ZINC000096916320 JI Annotated Anodyne CN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC000096917791 JI Annotated Mild COc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(/C=N/N3CCN(C)CC3)c3ccccc32)cc1 ZINC000096921204 JI Annotated Mild CN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)Cc3ccccc3)c3ccccc23)CC1 ZINC000096921208 JI Annotated Mild Cc1c(/C=N/N2CCN(C)CC2)c2ccccc2n1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000096921217 JI Annotated Mild CCc1ccc2ccccc2c1S(=O)(=O)n1c(C)c(/C=N/N2CCN(C)CC2)c2ccccc21 ZINC000096921222 JI Annotated Mild CCN(CC)CC(=O)N[C@@H]1CC2(N3CCN(C)CC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000096921588 JI Annotated Anodyne CCN(CC)C(=O)CN[C@@H]1CC2(N3CCN(C)CC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000096921608 JI Annotated Anodyne Cc1ccc2oc(=O)c(/C=N/c3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c(Cl)c2c1 ZINC000096921649 JI Annotated Mild Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3c(Cl)c4ccccc4oc3=O)cc2)n1 ZINC000096921653 JI Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3c(Cl)c4ccccc4oc3=O)cc2)n1 ZINC000096921655 JI Annotated Mild O=C(c1ccc(O)cc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cc(Br)cc(Br)c1 ZINC000096921752 JI Annotated Anodyne CC(C)c1nc(-c2cc(Br)c(OCCCN(C)C)c(Br)c2)c[nH]c1=O ZINC000096921936 JI Annotated Anodyne COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OC(=O)c3cccnc3)c(OC)c2)cc1OC ZINC000096922518 JI Annotated Anodyne CCCCC(=O)Oc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000096922534 JI Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)CC(C)C)c(OC)c2)cc1OC ZINC000096922537 JI Annotated Anodyne Cc1cccn2c(/C=N/OCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)c(-c3ccccc3)nc12 ZINC000096922595 JI Annotated Mild N#CCn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21 ZINC000096922814 JI Annotated Mild CN1CCN(C(=O)/C=C/c2ccc3c(c2)-c2[nH]c4ccc(C(C)(C)C)cc4c2CC(=O)N3)CC1 ZINC000096923508 JI Annotated Anodyne COc1cc(/C=C2\CC/C(=C\c3cc(CN(C)C)c(O)c(OC)c3)C2=O)cc(CN(C)C)c1O ZINC000096924022 JI Annotated Mild COc1cc(/C=C2\CCC/C(=C\c3cc(CN(C)C)c(O)c(OC)c3)C2=O)cc(CN(C)C)c1O ZINC000096924023 JI Annotated Mild CC[C@@H](C)c1cc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc2cc(C(=O)O)c(=O)oc12 ZINC000096924060 JI Annotated Mild CC[C@H](C)c1cc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc2cc(C(=O)O)c(=O)oc12 ZINC000096924061 JI Annotated Mild CCOC(=O)COc1ccc(C(=O)/C=C/c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924070 JI Annotated Mild CCO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(=O)c5ccccc5)[C@@H](C)C[C@]4(O)C(=O)[C@@]13C)C2(C)C ZINC000096927187 JI Annotated Anodyne CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)C[C@]4(O)C(=O)[C@@]13C)C2(C)C ZINC000096927189 JI Annotated Anodyne CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](O)[C@@H](C)C[C@]4(OC(=O)/C=C/c4ccccc4)C(=O)[C@@]23C)C1(C)C ZINC000096927199 JI Annotated Anodyne CC1=C(O)N(c2ccccc2)/C(=C(/C#N)C(=O)N/N=C(/C)c2ccc(N3CCOCC3)cc2)S1 ZINC000096927936 JI Annotated Reactive C/C1=C/C2=C[C@H](C)C[C@@]2(Br)C(=O)[C@@]2(C)O[C@@H]([C@@H](Br)C1=O)C(C)(C)CC2=O ZINC000096928271 JI Annotated Reactive Nc1nc(N)c2cc(CSC(=S)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2n1 ZINC000096928379 JI Annotated Anodyne CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(F)c2)c1C(=O)OCC ZINC000096928593 JI Annotated Anodyne Cc1ccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)c([N+](=O)[O-])c1 ZINC000096928626 JI Annotated Bother Cc1cc(C)n2nc(SCc3nnc(SCc4ccc(C)c([N+](=O)[O-])c4)s3)nc2n1 ZINC000096928627 JI Annotated Bother NS(=O)(=O)c1ccc(-n2c(/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000096928938 JI Annotated Anodyne COc1cc(Cc2c(CO)cc(OC)c(OC)c2Br)cc(Br)c1OC ZINC000096929427 JI Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ncc[nH]c2=O)cc1C(C)(C)C ZINC000096929683 JI Annotated Anodyne CC(=O)Oc1ccc2ccccc2c1/C=N/N(C(C)=O)C(=O)CCn1c(C)nc2ccccc21 ZINC000096929702 JI Annotated Reactive CC(C)NC(=O)c1nn(-c2ccc(OCCF)cc2)c(=O)c2c(NC(=O)OC(C)(C)C)scc12 ZINC000096929714 JI Annotated Anodyne COc1c(COc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000096929963 JI Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2cnc[nH]c2=O)cc1C(C)(C)C ZINC000096929964 JI Annotated Anodyne CCCC(=O)O[C@@H]1[C@@H](OC(C)=O)C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000096932993 JI Annotated Mild C[C@@H]1[C@H](O)[C@]2(OC(=O)[C@@H](C)[C@H]2C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000096933277 JI Annotated Mild CC(C)Sc1nnc(-c2c(CNCCN3CCOCC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933340 JI Annotated Anodyne C/C=C/CNC(=N)NCCCCCCCCN1CCCCCOc2ccccc2CN/C(N)=N\C1=O ZINC000096933931 JI Annotated Anodyne C[C@]12C=C3C(=O)O[C@H](c4ccccc4Br)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934089 JI Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4ccccc4Br)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934090 JI Annotated Reactive C[C@]12C=C3C(=O)O[C@H](c4ccccc4Br)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934091 JI Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4ccccc4Br)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934092 JI Annotated Reactive O=C1C(=O)c2cccc3c2C(=C1Br)OC[C@@H]3n1cc(-c2ccc(Cl)cc2)nn1 ZINC000096934598 JI Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Br)OC[C@H]3n1cc(-c2ccc(Cl)cc2)nn1 ZINC000096934599 JI Annotated Mild CCCc1ccc(-c2cn([C@@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934606 JI Annotated Mild CCCc1ccc(-c2cn([C@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934607 JI Annotated Mild COc1ccc(-c2nnc(N/N=C/c3ccc(O)c(OC)c3)nc2-c2ccc(OC)cc2)cc1 ZINC000096935219 JI Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc(-c4ccccc4)[nH]c3c2)c1F ZINC000096937604 JI Annotated Anodyne CCN1CCN(Cn2nc(C34CC5CC(CC(C5)C3)C4)n(/N=C/c3ccc(O)cc3)c2=S)CC1 ZINC000096937738 JI Annotated Mild CCN1CCN(Cn2nc(C34CC5CC(CC(C5)C3)C4)n(/N=C/c3ccccc3O)c2=S)CC1 ZINC000096937764 JI Annotated Mild Cc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3F)c3ccccc23)cc1 ZINC000096938518 JI Annotated Mild Cc1ccccc1-c1nn(-c2ccc(OC(F)(F)F)cc2)cc1CNCCN1CCN(C)CC1 ZINC000096938568 JI Annotated Anodyne O=C1N(Cc2ccccc2Br)c2cccn2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000096938773 JI Annotated Anodyne CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938977 JI Annotated Anodyne CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938978 JI Annotated Anodyne COc1ccccc1OCCN1CC[C@H](COc2cccc3[nH]c4ccccc4c23)OCC1=O ZINC000096939448 JI Annotated Anodyne COc1ccccc1OCCN1CC[C@@H](COc2cccc3[nH]c4ccccc4c23)OCC1=O ZINC000096939452 JI Annotated Anodyne COc1ccccc1OCCN1C[C@H](CCOc2ccc3c(c2)[nH]c2ccccc23)OCC1=O ZINC000096939533 JI Annotated Anodyne COc1ccccc1OCCN1C[C@@H](CCOc2ccc3c(c2)[nH]c2ccccc23)OCC1=O ZINC000096939540 JI Annotated Anodyne COc1ncc(-c2ccc(N(Cc3ccsc3)C(=O)Cn3nnc4ccccc43)cc2)cn1 ZINC000096940045 JI Annotated Anodyne COCCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C)c2ccsc2)cc1 ZINC000096940073 JI Annotated Anodyne COCCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C)c2ccsc2)cc1 ZINC000096940075 JI Annotated Anodyne CO[C@H]1C=CC(CN2C(=O)[C@H]3[C@@H]([C@@H]4CCCN4[C@H]3c3ccc(C#N)cc3)[C@H]2CC(F)F)=CC1 ZINC000096940512 JI Annotated Mild CO[C@@H]1C=CC(CN2C(=O)[C@H]3[C@@H]([C@@H]4CCCN4[C@H]3c3ccc(C#N)cc3)[C@H]2CC(F)F)=CC1 ZINC000096940513 JI Annotated Mild CO[C@H]1C=CC(CN2C(=O)[C@H]3[C@H]([C@@H]4CCCN4[C@H]3c3ccc(C#N)cc3)[C@H]2CC(F)F)=CC1 ZINC000096940514 JI Annotated Mild CO[C@@H]1C=CC(CN2C(=O)[C@H]3[C@H]([C@@H]4CCCN4[C@H]3c3ccc(C#N)cc3)[C@H]2CC(F)F)=CC1 ZINC000096940515 JI Annotated Mild CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2F)[nH]1 ZINC000096941679 JI Annotated Anodyne Cc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN(C(=S)Nc4ccccc4)CC3)=C(O)C2)cc1 ZINC000097840734 JI Annotated Mild CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000098081886 JI Annotated Clean CCCCc1ccc(N2C(=O)C[C@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OC)N(c3ccco3)C2=O)cc1 ZINC000098081934 JI Annotated Anodyne CCCCc1ccc(N2C(=O)C[C@@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OC)N(c3ccco3)C2=O)cc1 ZINC000098081935 JI Annotated Anodyne COc1ccc(-n2n[o+]c(O)c2-c2nn3cc(-c4cc5ccccc5oc4=O)nc3s2)cc1 ZINC000098082728 JI Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)cc1)C(C)C ZINC000098082757 JI Annotated Reactive Nc1nc(-c2ccc(CCN3CCN(c4nc5ccccc5nc4Cl)CC3)cc2)cs1 ZINC000098082831 JI Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccc(Br)cc1 ZINC000098082864 JI Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)cc1)SC ZINC000098083002 JI Annotated Reactive COc1ccc(-[n+]2noc(O)c2Cn2c(-c3ccccc3Br)nc3ccccc32)cc1 ZINC000098083634 JI Annotated Anodyne O=C1c2cccc3cccc(c23)C(=O)N1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 ZINC000098084083 JI Annotated Bother COc1ccc(-c2nn3c(SCC(=O)Nc4ccccc4F)nc4ccccc4c3nc2=O)cc1 ZINC000098084224 JI Annotated Bother CNc1nc(-c2ccc(CCN3CCN(c4nc5ccccc5nc4OC)CC3)cc2)c(C)s1 ZINC000098084339 JI Annotated Anodyne CC(=O)Nc1ccc(OC(=O)c2ccccc2N(CCO[N+](=O)[O-])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098084371 JI Annotated Bother CCn1cc(-c2nnc(COc3cccc4ccccc34)o2)c(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000098084525 JI Annotated Anodyne CCN(CC)CN1C(=O)/C(=N/NC(=S)Nc2ccc(Cl)cc2)c2cc(Cl)ccc21 ZINC000098084671 JI Annotated Mild COc1nc2ccccc2nc1N1CCN(CCc2ccc(-c3nc(N)sc3C)cc2)CC1 ZINC000098085119 JI Annotated Clean CO[C@H]1[C@@H]([C@@H]2CC(=O)N(Cc3ccccc3)C(=O)N2CC[C@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000098085322 JI Annotated Anodyne CO[C@H]1[C@@H]([C@@H]2CC(=O)N(Cc3ccccc3)C(=O)N2CC[C@@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000098085323 JI Annotated Anodyne CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(=O)N(Cc2ccccc2)C(=O)N1CC[C@H](C)CC(C)C ZINC000098085324 JI Annotated Anodyne CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(=O)N(Cc2ccccc2)C(=O)N1CC[C@@H](C)CC(C)C ZINC000098085325 JI Annotated Anodyne Cc1ccc(-c2nn3c(SCC(=O)Nc4ccccc4[N+](=O)[O-])nc4ccccc4c3nc2=O)cc1 ZINC000098085549 JI Annotated Bother Cc1c(Br)cccc1-c1nnc(CN2CCC(n3nc4ccccc4n3)CC2)o1 ZINC000098085686 JI Annotated Anodyne CCc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)N[C@@H]1CCOC1 ZINC000098185465 JI Annotated Mild N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(Cl)c(NC(=O)N[C@@H]4CCOC4)c3)CC2)cc1 ZINC000098185811 JI Annotated Mild N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(Cl)c(NC(=O)N[C@H]4CCOC4)c3)CC2)cc1 ZINC000098185812 JI Annotated Mild Cc1ccc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)cc1NC(=O)N(C)C[C@@H]1CCOC1 ZINC000098185839 JI Annotated Mild Cc1ccc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)cc1NC(=O)N(C)C[C@H]1CCOC1 ZINC000098185840 JI Annotated Mild COc1ccc(C2(c3cc(-c4sc(NC(=O)N5CCC[C@@]5(C)C(N)=O)nc4C)ccn3)CC2)cc1 ZINC000098195012 JI Annotated Anodyne COc1ccc(C(C)(C)c2cc(-c3cnc(NC(=O)N4CCC[C@@]4(C)C(N)=O)s3)ccn2)cc1 ZINC000098195216 JI Annotated Anodyne Cc1onc(-c2cccnc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000098207835 JI Annotated Bother O=C(NCCCNCc1cc(Cl)cc(I)c1O)Nc1ccsc1 ZINC000098208147 JI Annotated Clean Nc1ccc(C[C@H](NNc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C(=O)O)cc1[N+](=O)[O-] ZINC000098208391 JI Annotated Bother C[C@H](CCOc1ccc(I)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000098209537 JI Annotated Anodyne