CCCn1c(=NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000001058456 KJ Annotated Anodyne CCCc1cc(C(=O)O)ccc1O[C@@H](C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000001481865 KJ Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000001486295 KJ Annotated Anodyne COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000001486361 KJ Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486494 KJ Annotated Anodyne Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486495 KJ Annotated Anodyne C[C@@H](n1cnc2cc(Oc3ccc(Cl)cc3)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486503 KJ Annotated Anodyne COc1cc2cc(CO)nc(-c3ccnc(-n4nc(-c5nccs5)c5ccccc5c4=O)c3)c2cc1OC ZINC000001487903 KJ Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3OCc3cc(Br)cnc32)CC1 ZINC000001488332 KJ Annotated Anodyne COc1cc(C)cc2c1[C@@H](C1CCN(C(=O)Cc3cc[n+]([O-])cc3)CC1)c1ncc(Br)cc1CC2 ZINC000001489789 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccnc1Cl)c1ccc(Cl)cc1 ZINC000001491464 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000001491467 KJ Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(C)(=O)=O)n21 ZINC000001493817 KJ Annotated Anodyne N#Cc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)oc4c(c3=O)CCCCCC4)C3CC3)c2)nc1 ZINC000100013646 KJ Annotated Mild N#Cc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)oc4c(c3=O)CCCCCC4)C3CC3)c2)nc1 ZINC000100013648 KJ Annotated Mild CN1C(=O)[C@H]2CN(Cc3cccs3)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)[C@@H]2C1=O ZINC000100036819 KJ Annotated Anodyne CN1C=C[C@H](C[C@@H]2C=CN(C)C=C2C(=O)NCCCC(=O)OCc2ccccc2)C(C(=O)NCCCC(=O)OCc2ccccc2)=C1 ZINC000100042909 KJ Annotated Anodyne CN1C=C[C@@H](C[C@@H]2C=CN(C)C=C2C(=O)NCCCC(=O)OCc2ccccc2)C(C(=O)NCCCC(=O)OCc2ccccc2)=C1 ZINC000100042912 KJ Annotated Anodyne CN1C=C[C@H](C[C@H]2C=CN(C)C=C2C(=O)NCCCC(=O)OCc2ccccc2)C(C(=O)NCCCC(=O)OCc2ccccc2)=C1 ZINC000100042914 KJ Annotated Anodyne COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2cc(NS(C)(=O)=O)ccc23)cc1 ZINC000100050291 KJ Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000100057169 KJ Annotated Reactive CCOC(=O)[C@@]1(C(C)=O)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000100057170 KJ Annotated Reactive CC1=C[C@@H]2C/C=C/C=C/C[C@H](O)C/C=C/C[C@@H](C)[C@H]3[C@H](CS[C@H]3C(=O)C(=O)O)C(=O)C3=C(O)O[C@]2(C[C@H]1C)C3=O ZINC000100057778 KJ Annotated Mild in-vitro CC1=C[C@@H]2C/C=C/C=C/C[C@@H](O)C/C=C/C[C@@H](C)[C@H]3[C@H](CS[C@H]3C(=O)C(=O)O)C(=O)C3=C(O)O[C@]2(C[C@H]1C)C3=O ZINC000100057780 KJ Annotated Mild in-vitro CC1=C[C@@H]2C/C=C/C=C/C[C@H](O)C/C=C/C[C@H](C)[C@H]3[C@H](CS[C@H]3C(=O)C(=O)O)C(=O)C3=C(O)O[C@]2(C[C@H]1C)C3=O ZINC000100057782 KJ Annotated Mild in-vitro CC1=C[C@@H]2C/C=C/C=C/C[C@@H](O)C/C=C/C[C@H](C)[C@H]3[C@H](CS[C@H]3C(=O)C(=O)O)C(=O)C3=C(O)O[C@]2(C[C@H]1C)C3=O ZINC000100057785 KJ Annotated Mild in-vitro O=S(=O)(N[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccn1 ZINC000100061189 KJ Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C([C@@](O)(c3ccccc3)c3ccccn3)=C[C@H]2C1=C(c1ccccc1)c1ccccc1 ZINC000100067498 KJ Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]3C=C([C@@](O)(c4ccccc4)c4ccccn4)[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]12 ZINC000100067501 KJ Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C=C([C@@](O)(c3ccccc3)c3ccccn3)[C@H]2C1=C(c1ccccc1)c1ccccc1 ZINC000100067504 KJ Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]3C([C@@](O)(c4ccccc4)c4ccccn4)=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]12 ZINC000100067507 KJ Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C[C@H](O)C[C@@H]4C)OC=C3[C@@H]12 ZINC000100070644 KJ Annotated Mild in-vitro CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C[C@H](O)C[C@@H]4C)OC=C3[C@@H]12 ZINC000100070648 KJ Annotated Mild in-vitro CC[C@@H](C)C[C@H](C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C[C@H](O)C[C@@H]4C)OC=C3[C@@H]12 ZINC000100070653 KJ Annotated Mild in-vitro CC[C@H](C)C[C@H](C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C[C@H](O)C[C@@H]4C)OC=C3[C@@H]12 ZINC000100070655 KJ Annotated Mild in-vitro O=C(O)[C@H](Cc1ccc(-n2c([C@@H]3CCCNC3)nc3cccnc32)cc1)NC1=C(Br)C(=O)C12CCCCC2 ZINC000100077514 KJ Annotated Mild O=C(O)[C@H](Cc1ccc(-n2c([C@H]3CCCNC3)nc3cccnc32)cc1)NC1=C(Br)C(=O)C12CCCCC2 ZINC000100077518 KJ Annotated Mild C=CC1=C(C)/C(=C/C2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000100078195 KJ Annotated Anodyne in-vitro COC(=O)c1cc2cc3cc4cc(CC(=O)O)c(C(=O)/C=C(\O)c5ccccc5O)c(OC)c4c(OC)c3c(O)c2c(=O)o1 ZINC000100078574 KJ Annotated Mild in-vitro C=CC1=C(C)/C(=C/C2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C-]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000100083082 KJ Annotated Anodyne in-vitro C=CC1=C(C)[C@@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C-]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000100083088 KJ Annotated Anodyne in-vitro C=CC1=C(C)[C@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C-]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000100083092 KJ Annotated Anodyne in-vitro CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000100091830 KJ Annotated Mild in-vitro CN1[C@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@H]1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12 ZINC000100095917 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@]13C(=O)O ZINC000100097585 KJ Annotated Mild in-vitro Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(-c3ccc(C(=O)N4C[C@@H]5CC[C@@H](C4)O5)cc3)ccnc21 ZINC000100102324 KJ Annotated Mild Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(-c3ccc(C(=O)N4C[C@H]5CC[C@H](C4)O5)cc3)ccnc21 ZINC000100102328 KJ Annotated Mild Cc1ccccc1S(=O)(=O)Nc1cc([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c2ccccc12 ZINC000100115025 KJ Annotated Clean Cc1ccccc1S(=O)(=O)Nc1cc([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c2ccccc12 ZINC000100115028 KJ Annotated Clean Cc1cc(C)c(S(=O)(=O)Nc2nc([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)nc3ccccc23)c(C)c1 ZINC000100115248 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)Nc2nc([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)nc3ccccc23)c(C)c1 ZINC000100115251 KJ Annotated Anodyne COc1cc(/C=C/C(=O)CC2=C[C@H](c3ccc(O)c(OC)c3)SC(NC[C@@H]3CCCO3)=N2)ccc1O ZINC000100115852 KJ Annotated Mild COc1cc(/C=C/C(=O)CC2=C[C@@H](c3ccc(O)c(OC)c3)SC(NC[C@@H]3CCCO3)=N2)ccc1O ZINC000100115855 KJ Annotated Mild COc1cc(/C=C/C(=O)CC2=C[C@H](c3ccc(O)c(OC)c3)SC(NC[C@H]3CCCO3)=N2)ccc1O ZINC000100115856 KJ Annotated Mild COc1cc(/C=C/C(=O)CC2=C[C@@H](c3ccc(O)c(OC)c3)SC(NC[C@H]3CCCO3)=N2)ccc1O ZINC000100115859 KJ Annotated Mild CC(C)COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000100116872 KJ Annotated Anodyne O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H]2C(=O)c1ccc(O)cc1O ZINC000100162097 KJ Annotated Mild Cc1cc(O)c2c(c1)/C(=C1\c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O ZINC000100198707 KJ Annotated Anodyne in-vitro CC[C@H]1O[C@]2(CC[C@H]1C)C[C@@H]1C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C3\CO[C@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100280337 KJ Annotated Anodyne in-vitro CC[C@H]1O[C@]2(CC[C@H]1C)C[C@@H]1C[C@H](C/C=C(\C)C[C@H](C)/C=C\C=C3\CO[C@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100280341 KJ Annotated Anodyne in-vitro CC[C@H]1O[C@]2(CC[C@H]1C)C[C@@H]1C[C@H](C/C=C(\C)C[C@H](C)/C=C/C=C3/CO[C@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100280345 KJ Annotated Anodyne in-vitro CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C/C=C(\C)C/C(C)=C/C=C/CC[C@H](C)CNC(=O)/C=C/C=C/[C@@H]2C)O[C@@H]1C ZINC000100303351 KJ Annotated Anodyne in-vitro CC1=C[C@H]2C/C=C/C=C/C[C@@H](O)C/C=C/C[C@@H](C)[C@@H]3[C@H](CS[C@H]3C(=O)C(=O)O)C(=O)C3=C(O)[C@@]2(C[C@H]1C)OC3=O ZINC000100303380 KJ Annotated Mild in-vitro CC1=C[C@H]2C/C=C/C=C/C[C@@H](O)C/C=C/C[C@H](C)[C@@H]3[C@H](CS[C@H]3C(=O)C(=O)O)C(=O)C3=C(O)[C@@]2(C[C@H]1C)OC3=O ZINC000100303385 KJ Annotated Mild in-vitro CC1=C[C@H]2C/C=C/C=C/C[C@H](O)C/C=C/C[C@@H](C)[C@@H]3[C@H](CS[C@H]3C(=O)C(=O)O)C(=O)C3=C(O)[C@@]2(C[C@H]1C)OC3=O ZINC000100303389 KJ Annotated Mild in-vitro CC1=C[C@H]2C/C=C/C=C/C[C@H](O)C/C=C/C[C@H](C)[C@@H]3[C@H](CS[C@H]3C(=O)C(=O)O)C(=O)C3=C(O)[C@@]2(C[C@H]1C)OC3=O ZINC000100303392 KJ Annotated Mild in-vitro CCCCCC[C@@H]1CC(=O)CCC[C@H](O)CC(=O)C2=C(O)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)C[C@@H]2/C=C(C)/C=C/C=C/C(=O)N1 ZINC000100303886 KJ Annotated Mild in-vitro CCCCCC[C@H]1CC(=O)CCC[C@H](O)CC(=O)C2=C(O)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)C[C@@H]2/C=C(C)/C=C/C=C/C(=O)N1 ZINC000100303889 KJ Annotated Mild in-vitro CCCCCC[C@@H]1CC(=O)CCC[C@@H](O)CC(=O)C2=C(O)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)C[C@@H]2/C=C(C)/C=C/C=C/C(=O)N1 ZINC000100303892 KJ Annotated Mild in-vitro CCCCCC[C@H]1CC(=O)CCC[C@@H](O)CC(=O)C2=C(O)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)C[C@@H]2/C=C(C)/C=C/C=C/C(=O)N1 ZINC000100303897 KJ Annotated Mild in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H](C1=O)[C@@]42O)O[C@]1(CC[C@@H](C)[C@@H](C)O1)C3 ZINC000100306897 KJ Annotated Mild in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H](C1=O)[C@@]42O)O[C@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000100306902 KJ Annotated Mild in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H](C1=O)[C@@]42O)O[C@@]1(CC[C@@H](C)[C@@H](C)O1)C3 ZINC000100306907 KJ Annotated Mild in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H](C1=O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000100306910 KJ Annotated Mild in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000100307428 KJ Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000100307436 KJ Annotated Anodyne in-vitro CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)NC=C([C@@H]2c3ccccc3[C@H]3NC(=O)O[C@@H]23)C1=O ZINC000100376884 KJ Annotated Mild CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)NC=C([C@H]2c3ccccc3[C@H]3NC(=O)O[C@H]32)C1=O ZINC000100376887 KJ Annotated Mild N[C@@H]1CC[C@@H](Nc2cc(Nc3ccc(S(=O)(=O)c4cccs4)cc3)n3ncc(Cl)c3n2)CC1 ZINC000100382160 KJ Annotated Anodyne O=S(=O)(C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC1 ZINC000100420028 KJ Annotated Anodyne CC[C@@H]1C(=O)N[C@H](CC2=N/C(=C/c3[nH]c(C[C@H]4NC(=O)[C@@H](C)[C@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)[C@@H]1C ZINC000100425530 KJ Annotated Anodyne in-vitro CC[C@H]1[C@H](C)C(=O)N[C@@H]1Cc1[nH]c(/C=C2/N=C(C[C@H]3NC(=O)[C@@H](CC)[C@H]3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C ZINC000100425537 KJ Annotated Anodyne in-vitro CC[C@@H]1C(=O)N[C@H](CC2=N/C(=C/c3[nH]c(C[C@H]4NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)[C@@H]1C ZINC000100425545 KJ Annotated Anodyne in-vitro CC[C@@H]1[C@@H](Cc2[nH]c(/C=C3/N=C(C[C@H]4NC(=O)[C@@H](CC)[C@H]4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)[C@@H]1C ZINC000100425549 KJ Annotated Anodyne in-vitro COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3n(-c4ccc(F)cc4)[nH]cc-3c(=O)n2)c1OC ZINC000100491792 KJ Annotated Anodyne aggregator COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3n(-c4ccc(F)cc4)[nH]cc-3c(=O)n2)c1OC ZINC000100491799 KJ Annotated Anodyne aggregator Cc1nnc2nc(SCC(=O)NCCC3=CCCCC3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000100532872 KJ Annotated Anodyne c1coc(C2C(c3nc4ccc(C5=NCCN5)cc4[nH]3)C(c3ccco3)C2c2nc3ccc(C4=NCCN4)cc3[nH]2)c1 ZINC000100575896 KJ Annotated Anodyne C=CC1=C(C)[C@@H](CC2=N/C(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C/C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000100586780 KJ Annotated Anodyne COC[C@@H]1CC[C@@H](CC(=O)[C@@H]2CCC[C@H](C(=O)N(c3cc(OC)c(C(C)C)cn3)C3CC3)[C@@H]2O)CC1 ZINC000100619534 KJ Annotated Anodyne Cc1nc(-c2cccc(C(=O)C[C@@H]3CC[C@@H](CCN4CCN(c5nccc6c5CCO6)CC4)CC3)c2)no1 ZINC000100637041 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@H](OCC(C)(C)O)CC2)c2ncnn12 ZINC000100638578 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(C)=O)CC2)c2ncnn12 ZINC000100638638 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC/C(C)=N/OC)CC2)c2ncnn12 ZINC000100638640 KJ Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn12 ZINC000100638649 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)C#N)CC2)c2ncnn12 ZINC000100638650 KJ Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)C#N)CC2)c2ncnn12 ZINC000100638652 KJ Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](OCC3(O)CCC3)CC2)c2ncnn12 ZINC000100638665 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@H](Oc3ccon3)CC2)c2ncnn12 ZINC000100638677 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](Oc3ccon3)CC2)c2ncnn12 ZINC000100638679 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)[C@H](C)O)CC2)c2ncnn12 ZINC000100638703 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)[C@H](C)O)CC2)c2ncnn12 ZINC000100638704 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)[C@@H](C)O)CC2)c2ncnn12 ZINC000100638705 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)[C@@H](C)O)CC2)c2ncnn12 ZINC000100638706 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@@H](O)CC)CC2)c2ncnn12 ZINC000100638710 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@H](O)CC)CC2)c2ncnn12 ZINC000100638713 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@@](C)(O)CF)CC2)c2ncnn12 ZINC000100638716 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@](C)(O)CF)CC2)c2ncnn12 ZINC000100638719 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC3(O)CCC3)CC2)c2ncnn12 ZINC000100638720 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@@H](O)C(F)F)CC2)c2ncnn12 ZINC000100638727 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@H](O)C(F)F)CC2)c2ncnn12 ZINC000100638729 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@@](C)(O)CF)CC2)c2nc(C)nn12 ZINC000100638731 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@](C)(O)CF)CC2)c2nc(C)nn12 ZINC000100638733 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn12 ZINC000100638751 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@H](C)O)CC2)c2ccnn12 ZINC000100638764 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@@H](C)O)CC2)c2ccnn12 ZINC000100638766 KJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000100705912 KJ Annotated Anodyne N#CC1(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)c(Cl)c2)CCS(=O)(=O)CC1 ZINC000100731033 KJ Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3cc(C(=O)OC)ccc3Cl)cc2)CC1 ZINC000100731045 KJ Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)nc2)CC1 ZINC000100731048 KJ Annotated Mild N#CC1(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)nc2)CCSCC1 ZINC000100731054 KJ Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)CC1 ZINC000100731079 KJ Annotated Mild COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)N[C@@H](Cc3c(F)cccc3F)C(=O)NC3(C#N)CCOCC3)cc2)c1 ZINC000100731127 KJ Annotated Mild N#CC1(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)CCOCC1 ZINC000100731130 KJ Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cc(OC)cc2F)NC(=O)c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)CC1 ZINC000100731257 KJ Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cc(OC)cc2F)NC(=O)c2ccc(-c3ccccc3Cl)nc2)CC1 ZINC000100731266 KJ Annotated Mild C[C@@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(C5=C(F)N[C@H]([C@@H]6C[C@H]7C[C@H]7N6)N5)cc4)cc3)c(F)[nH]2)N[C@@H]1C ZINC000100735772 KJ Annotated Anodyne C[C@@H]1N[C@H](c2nc(-c3ccc(-c4ccc(C5=C(F)N[C@H]([C@@H]6C[C@H]7C[C@H]7N6)N5)cc4)cc3)c(F)[nH]2)C[C@H]1C ZINC000100735773 KJ Annotated Anodyne C[C@@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(C5=C(F)N[C@@H]([C@@H]6C[C@H]7C[C@H]7N6)N5)cc4)cc3)c(F)[nH]2)N[C@@H]1C ZINC000100735775 KJ Annotated Anodyne C[C@@H]1N[C@H](c2nc(-c3ccc(-c4ccc(C5=C(F)N[C@@H]([C@@H]6C[C@H]7C[C@H]7N6)N5)cc4)cc3)c(F)[nH]2)C[C@H]1C ZINC000100735777 KJ Annotated Anodyne CC(C)c1c(Cc2ccccc2)n(COCc2ccc(Cc3cccc(C(=O)/C=C(\O)C(=O)O)c3)cc2)c(=O)[nH]c1=O ZINC000100753122 KJ Annotated Mild CC[C@@H]1C(=O)N[C@@H](Cc2[nH]c(/C=C3/N=C(C[C@@H]4NC(=O)[C@H](C)[C@@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@H]1C ZINC000100769630 KJ Annotated Anodyne in-man endogenous CC[C@@H]1C(=O)N[C@@H](Cc2[nH]c(/C=C3/N=C(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@H]1C ZINC000100769631 KJ Annotated Anodyne in-man endogenous C=C(C)[C@@]12C[C@@H](C)[C@]34O[C@@](c5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2 ZINC000100774309 KJ Annotated Mild C/C1=C/[C@H](C)C/C=C/[C@H]2[C@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H]([C@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]32C(=O)CCC(=O)C1=O ZINC000100775629 KJ Annotated Anodyne in-man endogenous C/C1=C/[C@H](C)C/C=C/[C@H]2[C@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H]([C@@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]32C(=O)CCC(=O)C1=O ZINC000100775631 KJ Annotated Anodyne in-man endogenous C/C1=C/[C@H](C)C/C=C/[C@H]2[C@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@@H]([C@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]32C(=O)CCC(=O)C1=O ZINC000100775634 KJ Annotated Anodyne in-man endogenous C/C1=C/[C@H](C)C/C=C/[C@H]2[C@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@@H]([C@@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]32C(=O)CCC(=O)C1=O ZINC000100775636 KJ Annotated Anodyne in-man endogenous CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777030 KJ Annotated Anodyne in-man endogenous CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777033 KJ Annotated Anodyne in-man endogenous CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777036 KJ Annotated Anodyne in-man endogenous CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777039 KJ Annotated Anodyne in-man endogenous COc1cc(/C=C2\[C@@H]3N[C@H](Cc4c(OC)c(C)c(OC)c(OC)c43)C(=O)N2Cc2ccccc2)c(OC)c(C)c1OC ZINC000100778544 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000100780556 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000100780559 KJ Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(OC)cc2)[C@@]3(C)C1(C)C ZINC000100780702 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(OC)cc2)[C@@]3(C)C1(C)C ZINC000100780705 KJ 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(CC=C(F)F)[C@H](C)CO2)[C@]13C(=O)O ZINC000100780929 KJ 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(CC=C(F)F)[C@H](C)CO2)[C@]13C(=O)O ZINC000100780936 KJ 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(CC=C(F)F)[C@H](C)CO2)[C@]13C(=O)O ZINC000100780941 KJ Annotated Mild C=C(Cl)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 ZINC000100782516 KJ Annotated Mild C=C(Cl)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 ZINC000100782519 KJ Annotated Mild C=C(Cl)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 ZINC000100782521 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000100783099 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000100783103 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(O)cc2)[C@@]3(C)C1(C)C ZINC000100784345 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(O)cc2)[C@@]3(C)C1(C)C ZINC000100784346 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000100785847 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000100785849 KJ 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(C/C=C\Br)[C@H](C)CO2)[C@]13C(=O)O ZINC000100787606 KJ 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(C/C=C\Br)[C@H](C)CO2)[C@]13C(=O)O ZINC000100787613 KJ 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(C/C=C\Br)[C@H](C)CO2)[C@]13C(=O)O ZINC000100787615 KJ 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(C/C=C\Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000100787731 KJ 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(C/C=C\Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000100787735 KJ 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(C/C=C\Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000100787737 KJ Annotated Mild C=C(Cl)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000100796087 KJ Annotated Mild C=C(CF)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000100798441 KJ Annotated Mild C=CCCN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000100801700 KJ Annotated Mild NC(=O)O[C@@H]1Cc2ccccc2[C@H]1C1=C(O)[C@](Cc2ccccc2)(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)N=C1 ZINC000100805046 KJ Annotated Anodyne NC(=O)O[C@@H]1Cc2ccccc2[C@@H]1C1=C(O)[C@](Cc2ccccc2)(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)N=C1 ZINC000100805047 KJ Annotated Anodyne C=CC1=C(C)[C@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@H]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000100823868 KJ Annotated Anodyne in-man CC1=C2C[C@@H](C(C)(C)O)CC[C@]2(C)C[C@@]2(O[C@@H]3[C@@H](C(=O)C(C)=C4C[C@H](C(C)(C)O)CC[C@]43C)C2=O)C1=O ZINC000100826436 KJ Annotated Mild in-man CC1=C2C[C@@H](C(C)(C)O)CC[C@]2(C)C[C@@]2(O[C@@H]3[C@@H](C(=O)C(C)=C4C[C@@H](C(C)(C)O)CC[C@]43C)C2=O)C1=O ZINC000100826438 KJ Annotated Mild in-man CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]2O[C@@]3(C[C@@]4(C)CC[C@H](C(C)(C)O)CC4=C(C)C3=O)C(=O)[C@@H]2C1=O ZINC000100826440 KJ Annotated Mild in-man CC1=C2C[C@@H](C(C)(C)O)CC[C@]2(C)[C@@H]2O[C@@]3(C[C@@]4(C)CC[C@H](C(C)(C)O)CC4=C(C)C3=O)C(=O)[C@@H]2C1=O ZINC000100826442 KJ Annotated Mild in-man Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O ZINC000100826929 KJ Annotated Anodyne in-man Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O ZINC000100826931 KJ Annotated Anodyne in-man biogenic CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4cccc5c(N(C)C)cccc45)[C@@]13OO2 ZINC000100833875 KJ Annotated Reactive C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)OC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000100834048 KJ Annotated Reactive C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@]2(C)OC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000100834050 KJ Annotated Reactive CC1=C(O)O[C@@H](CC/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@H](C)[C@@H](OC(N)=O)C(C)C)[C@H](C)C1=O ZINC000100853227 KJ Annotated Mild CC1=C(O)O[C@@H](CC/C=C\[C@H](C)[C@H](O)[C@H](C)/C=C\CC[C@@H](O)[C@H](C)[C@@H](OC(N)=O)C(C)C)[C@H](C)C1=O ZINC000100853230 KJ Annotated Mild COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C/CCCI)OCO2 ZINC000100877831 KJ Annotated Reactive C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](OC)C1)O2 ZINC000100953715 KJ Annotated Mild COc1cc(NC(=O)N[C@@H](CN2[C@@H]3CC[C@@H]2CC(Cc2ccc(Cl)cc2)C3)[C@H](C)O)cc(OC)c1OC ZINC000100970067 KJ Annotated Anodyne COc1cc(NC(=O)N[C@@H](CN2[C@H]3CC[C@H]2CC(Cc2ccc(Cl)cc2)C3)[C@H](C)O)cc(OC)c1OC ZINC000100970076 KJ Annotated Anodyne COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccc3ccccc3c1)N(C)[C@@H]2c1ccc2ccccc2c1 ZINC000101002316 KJ Annotated Anodyne O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101009919 KJ Annotated Anodyne O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101009927 KJ Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000101016419 KJ Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000101016420 KJ Annotated Anodyne O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101027762 KJ Annotated Anodyne O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101027765 KJ Annotated Anodyne Cc1cc2cc(NC(/C=C(\O)c3nccs3)=N/[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1 ZINC000101031686 KJ Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC([C@@H]2c3ccccc3[C@H]3NC(=O)O[C@H]23)=C1O)O[C@H]1CCOC1 ZINC000101035857 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC([C@H]2c3ccccc3[C@H]3NC(=O)O[C@@H]32)=C1O)O[C@H]1CCOC1 ZINC000101035859 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC([C@@H]2c3ccccc3[C@H]3NC(=O)O[C@@H]23)=C1O)O[C@H]1CCOC1 ZINC000101035860 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC([C@H]2c3ccccc3[C@H]3NC(=O)O[C@H]32)=C1O)O[C@H]1CCOC1 ZINC000101035862 KJ Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(NC(=O)c3ccccc3)ccc21 ZINC000101036402 KJ Annotated Anodyne O=c1nc(NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1CC(F)(F)F ZINC000101039246 KJ Annotated Anodyne O=c1nc(NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1CC(F)(F)F ZINC000101039253 KJ Annotated Anodyne CC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2c([N+](=O)[O-])cccc21 ZINC000101048202 KJ Annotated Bother CC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2cc([N+](=O)[O-])ccc21 ZINC000101049485 KJ Annotated Bother CC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2cc([N+](=O)[O-])ccc21 ZINC000101049488 KJ Annotated Bother CC[C@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2cc([N+](=O)[O-])ccc21 ZINC000101049491 KJ Annotated Bother CC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2cc([N+](=O)[O-])ccc21 ZINC000101049494 KJ Annotated Bother CC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccc([N+](=O)[O-])cc21 ZINC000101059532 KJ Annotated Bother CC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccc([N+](=O)[O-])cc21 ZINC000101059535 KJ Annotated Bother CC[C@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccc([N+](=O)[O-])cc21 ZINC000101059538 KJ Annotated Bother CC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccc([N+](=O)[O-])cc21 ZINC000101059540 KJ Annotated Bother Cc1cc2cc(NC(=N/[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)/C(C#N)=C(\O)OC(C)(C)C)ccc2o1 ZINC000101060736 KJ Annotated Reactive Cn1nnc([C@@H]2C[C@@]3(c4ccccc4)N[C@H]2CC[C@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000101075223 KJ Annotated Anodyne Cn1nnc([C@H]2C[C@@]3(c4ccccc4)N[C@H]2CC[C@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000101075226 KJ Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(OCc3ccccc3)ccc21 ZINC000101077838 KJ Annotated Anodyne CC(=O)OC[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)/C(C)=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@H]1O)C2(C)C ZINC000101079487 KJ Annotated Mild C=C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H]1CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@H](O)[C@H](C)/C=C\C=C\C(=O)O1 ZINC000101083416 KJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2C3[C@@H]4N(C(=O)OC(C)(C)C)[C@H]5C([C@@H](c6ccccc6)C24CO)[C@H]1C5(CO)[C@H]3c1ccccc1 ZINC000101085565 KJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2C3[C@@H]4N(C(=O)OC(C)(C)C)[C@@H]5C([C@H]1[C@@]5(CO)[C@@H]3c1ccccc1)[C@H](c1ccccc1)[C@]24CO ZINC000101085567 KJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2C3[C@@H]4N(C(=O)OC(C)(C)C)[C@@H]5C([C@H]1[C@]5(CO)[C@@H]3c1ccccc1)[C@H](c1ccccc1)[C@@]24CO ZINC000101085568 KJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2C3[C@@H]4N(C(=O)OC(C)(C)C)[C@@H]5C([C@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@@H]3c1ccccc1 ZINC000101085569 KJ Annotated Anodyne CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NCCN(CC)CC)C(C)(C)O2 ZINC000101089443 KJ Annotated Bother CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NCCN(CC)CC)C(C)(C)O2 ZINC000101089448 KJ Annotated Bother CC(C)(C(=O)O)c1cc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c(O)c(-c2cc3c(N)[nH]ccc-3n2)c1 ZINC000101090956 KJ Annotated Anodyne C[C@@]12C[C@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccn4)CC3)c1)c1cc(Br)ccc1O2 ZINC000101092297 KJ Annotated Anodyne C[C@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccn4)CC3)c1)c1cc(Br)ccc1O2 ZINC000101092299 KJ Annotated Anodyne CCCC(=O)c1c(O)c(CC2=C(O)C(C(C)=O)=C(O)C(C)(C)C2=O)c(O)c(CC2=C(O)C(C(=O)CC)=C(O)C(C)(C)C2=O)c1O ZINC000101094413 KJ Annotated Mild N#Cc1cc(N2CCN(CC[C@@H]3CC[C@@H](NS(=O)(=O)c4ccc5c(c4)CCC(=O)N5)CC3)CC2)cc(C(F)(F)F)c1 ZINC000101104207 KJ Annotated Mild O=C1COc2ccc(S(=O)(=O)N[C@@H]3CC[C@@H](CCN4CCC(Oc5cccc(C(F)(F)F)c5)CC4)CC3)cc2N1 ZINC000101107590 KJ Annotated Anodyne Cc1cc(Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)cc3)cc2)nc(=N)n1C ZINC000101117655 KJ Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccccc2)[C@@]3(C[C@]5(OC(=O)c2ccccc2)[C@H]67)[C@@H]1O ZINC000101121495 KJ Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccccc2)[C@]3(C[C@]5(OC(=O)c2ccccc2)[C@H]67)[C@@H]1O ZINC000101121500 KJ Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccccc2)[C@@]3(C[C@]5(OC(=O)c2ccccc2)[C@H]67)[C@@H]1O ZINC000101121504 KJ Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCCBr)([C@@H]1CSC(=O)N1)C2 ZINC000101136906 KJ Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000101136989 KJ Annotated Reactive C[C@H]1CN[C@H](C)CN1CCCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CC[C@]2(c3cnc(CN)s3)C[C@@H]12 ZINC000101139775 KJ Annotated Anodyne O=C(O)c1c(=O)c2cc(F)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2n2c1sc1ccccc12 ZINC000101144398 KJ Annotated Bother COCCN(CCOC)c1oc2ccc3ccccc3c2c(=O)c1Cc1c(OC(C)=O)ccc2c(C)cc(=O)oc12 ZINC000101147232 KJ Annotated Bother C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OCc3ccccc3)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000101150297 KJ Annotated Mild C=C(C)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000101151678 KJ Annotated Mild O=C(O)COCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2C[C@]1(c1ccc(F)cc1)CO2 ZINC000101166908 KJ Annotated Anodyne O=C(O)COCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@@]1(c1ccc(F)cc1)CO2 ZINC000101166912 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101176630 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101176631 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101176632 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101178624 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101178628 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101178630 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101178634 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101180463 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101180468 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101180470 KJ 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]4OC(C)(C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101180653 KJ 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]4OC(C)(C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101180656 KJ 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]4OC(C)(C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101180659 KJ Annotated Mild C=C(Br)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 ZINC000101185749 KJ Annotated Mild C=C(Br)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 ZINC000101185757 KJ Annotated Mild C=C(Br)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 ZINC000101185763 KJ Annotated Mild CCCC[C@H]1C(=O)N(C[C@@H]2CC[C@@H](O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000101188394 KJ Annotated Anodyne CCCC[C@@H]1C(=O)N(C[C@@H]2CC[C@@H](O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000101188398 KJ Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2cccs2)[C@@]3(C)C1(C)C ZINC000101189282 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2cccs2)[C@@]3(C)C1(C)C ZINC000101189284 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101190662 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101190667 KJ Annotated Mild CCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101193051 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101193052 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(OC)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101193439 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(OC)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101193440 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000101193703 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000101193705 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccoc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101193878 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccoc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101193882 KJ Annotated Anodyne CCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101194889 KJ Annotated Anodyne CCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101194891 KJ Annotated Anodyne C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000101195245 KJ Annotated Mild C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000101195251 KJ Annotated Mild C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000101195254 KJ Annotated Mild CO[C@H]1CN(CC=C(C)C)C[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 ZINC000101213255 KJ Annotated Mild CO[C@H]1CN(Cc2ccc3c(c2)OCO3)C[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 ZINC000101216740 KJ Annotated Mild COC(=O)c1[nH]c2c(c1C(=O)OC)[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000101218032 KJ Annotated Mild COC(=O)c1[nH]c2c(c1C(=O)OC)[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000101218037 KJ Annotated Mild C=C(Br)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000101221610 KJ Annotated Mild CCOc1ccc(C2=N[C@@H]3[C@@]4(OC)C=C[C@@]5(C[C@@]24C)[C@H]2Cc4ccc(OC)c(O)c4[C@]35CCN2C)cc1 ZINC000101256427 KJ Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)OC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000101266163 KJ Annotated Reactive C[C@]1(OC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000101266168 KJ Annotated Reactive COc1ccc(CN2C[C@H](O)[C@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)O[C@H](C)C2)cc1 ZINC000101267529 KJ Annotated Mild COc1ccc(CN2C[C@H](O)[C@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)O[C@H](C)C2)cc1 ZINC000101267531 KJ Annotated Mild CN(C)/C=N/S(=O)(=O)c1ccc(-n2cc(/C=N\N=C3/SCC(=O)N3c3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1 ZINC000101269332 KJ Annotated Mild Cc1ccc(N2C(=O)CS/C2=N\N=C/c2cn(-c3ccc(S(=O)(=O)/N=C/N(C)C)cc3)nc2-c2ccccc2)cc1 ZINC000101269333 KJ Annotated Mild CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4cccc5c(N(C)C)cccc45)[C@]13OO2 ZINC000101273962 KJ Annotated Reactive CCC[C@]1(CCc2ccccc2)CC(=O)C(Cc2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1 ZINC000101278327 KJ Annotated Mild CCC[C@@]1(CCc2ccccc2)CC(=O)C(Cc2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1 ZINC000101278330 KJ Annotated Mild COc1ccc(N2C[C@H](O)[C@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)O[C@H](C)C2)cc1 ZINC000101280243 KJ Annotated Mild COc1ccc(N2C[C@H](O)[C@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)O[C@H](C)C2)cc1 ZINC000101280250 KJ Annotated Mild CCN(CC)CCNc1ccc(CNS(=O)(=O)c2ccc(F)cc2)c2sc3ccccc3c(=O)c12 ZINC000101297650 KJ Annotated Bother C=C1[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101312055 KJ Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(=O)c3ccccc3)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101315555 KJ Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/c1ccccc1)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101315743 KJ Annotated Mild Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000101330419 KJ Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6cc(NC(N)=O)ccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000101333955 KJ Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6cc(NC(N)=O)ccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000101333959 KJ Annotated Mild Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C[C@@H]4CC[C@@H](O)CC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000101347121 KJ 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)[C@H](C)NC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000101355086 KJ 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)[C@H](C)NC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000101355089 KJ 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)[C@H](C)NC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000101355092 KJ 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)[C@H](C)NC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000101355095 KJ Annotated Mild CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000101364182 KJ Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000101364184 KJ Annotated Anodyne COC(=O)c1ccc(OCC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c-3n2)cc1 ZINC000101368078 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000101368155 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000101368156 KJ Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)O3 ZINC000101374832 KJ Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)O3 ZINC000101374835 KJ Annotated Anodyne CC1(C)[C@@H]2/C=C(\CO)C(=O)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@H](COC(=O)c3ccccc3)[C@H](O)C[C@H]3O[C@]3(C)CC[C@@H]21 ZINC000101389456 KJ Annotated Mild C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CCC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F ZINC000101390108 KJ Annotated Anodyne CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CCN(C(=O)C(C)(C)C)C3)C2)c1cccc(F)c1 ZINC000101391205 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000101403180 KJ Annotated Anodyne O=C1O/C(=C/Cn2cnc3c(-n4cccc4)ncnc32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000101406183 KJ Annotated Anodyne NC(=O)C[C@H]1C[C@@H](C2=C(O)[C@](Cc3ccccc3)(C[C@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CCOC3)N=C2)c2ccccc21 ZINC000101409600 KJ Annotated Anodyne NC(=O)C[C@H]1C[C@H](C2=C(O)[C@](Cc3ccccc3)(C[C@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CCOC3)N=C2)c2ccccc21 ZINC000101409603 KJ Annotated Anodyne O=C(Nc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H](C(=O)O)CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC000101410726 KJ Annotated Anodyne COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000101413246 KJ Annotated Anodyne COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000101413247 KJ Annotated Anodyne COc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000101413253 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@@H]2C[C@@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc(F)c1F ZINC000101421076 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@H]2C[C@@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc(F)c1F ZINC000101421080 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@@H]2C[C@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc(F)c1F ZINC000101421083 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@H]2C[C@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc(F)c1F ZINC000101421087 KJ Annotated Anodyne COc1ccc(C(=O)N2CCN(/C(=N/C#N)Nc3cccc4ncccc34)C[C@@H]2c2ccccc2)cc1OC ZINC000101452084 KJ Annotated Mild COc1ccc(C(=O)N2CCN(/C(=N/C#N)Nc3cccc4ncccc34)C[C@H]2c2ccccc2)cc1OC ZINC000101452087 KJ Annotated Mild COCCN(CCOC)c1oc2ccc3ccccc3c2c(=O)c1Cc1c(OC(C)=O)ccc2ccc(=O)oc12 ZINC000101456423 KJ Annotated Bother COc1cc2c(cc1OC)CN(c1cc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)c1sc4ccccc4n13)CC2 ZINC000101457054 KJ Annotated Bother 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]2O[C@H](C)CN(Cc4cccs4)C[C@@H]2O)[C@]13C(=O)O ZINC000101460150 KJ 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]2O[C@H](C)CN(Cc4cccs4)C[C@@H]2O)[C@]13C(=O)O ZINC000101460158 KJ 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]2O[C@H](C)CN(Cc4cccs4)C[C@@H]2O)[C@]13C(=O)O ZINC000101460162 KJ Annotated Mild C=C(Cl)CN1C[C@H](OC)[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](C)C1 ZINC000101463502 KJ Annotated Mild C=C(Cl)CN1C[C@H](OC)[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](C)C1 ZINC000101463504 KJ Annotated Mild CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1c(-c2c(F)cccc2Cl)noc1C ZINC000101487635 KJ Annotated Bother CCCCCC(=O)O[C@@H]1[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](C)[C@@H](OC)[C@H]1O ZINC000101488065 KJ Annotated Mild COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000101488370 KJ Annotated Anodyne Cc1cc(=O)c(O)cc2c1C[C@@H]1C[C@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@@]1(C)O2 ZINC000101490281 KJ Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C ZINC000101501575 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccsc2)[C@@]3(C)C1(C)C ZINC000101506574 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccsc2)[C@@]3(C)C1(C)C ZINC000101506575 KJ Annotated Mild O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 ZINC000101506793 KJ Annotated Anodyne CCCc1ccc2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C ZINC000101510960 KJ Annotated Mild COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3c(Cl)cccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C ZINC000101510963 KJ Annotated Mild COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3cc(Cl)ccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C ZINC000101510966 KJ Annotated Mild COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccc(Cl)cc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C ZINC000101510969 KJ Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101511537 KJ Annotated Mild in-vitro biogenic C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OC(=O)CN(C)C)c1ccc(F)cc1F ZINC000101512690 KJ Annotated Mild CCCN(CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2Cl)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000101533772 KJ Annotated Anodyne CCCN(CC[C@@H]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000101533903 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CC[C@@H](C(C)(C)O)C4)cc32)CC1 ZINC000101562720 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CC[C@H](C(C)(C)O)C4)cc32)CC1 ZINC000101562727 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCC[C@H]4C(C)(C)O)cc32)CC1 ZINC000101562734 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCCC[C@H]4C(=O)O)cc32)CC1 ZINC000101562764 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCCC[C@@H]4C(=O)O)cc32)CC1 ZINC000101562771 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000101562830 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(C#N)c(F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562867 KJ Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cccc(C#N)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562888 KJ Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cc(F)cc(C#N)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562893 KJ Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(C#N)cc3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562906 KJ Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562923 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCC(=O)NC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577347 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCC(=O)NC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577352 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCNCCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577364 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCNCCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577370 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCOCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577408 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCOCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577414 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCOCCOCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577428 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCOCCOCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577434 KJ Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\N2CCN(Cc3ccccc3)[C@@H]([N+](=O)[O-])C2)SCc2ccc(F)cc2)cc1 ZINC000101626193 KJ Annotated Mild Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N2[C@H](c4cccs4)[C@@H]4C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]4N2[C@H]3c2cccs2)cc1 ZINC000101628373 KJ Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N2[C@H](c4cccs4)[C@H]4C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]4N2[C@H]3c2cccs2)cc1 ZINC000101628376 KJ Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3CCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101633570 KJ Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3CCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101633575 KJ Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3CCCCCCCN2CCC(CNS(C)(=O)=O)CC2)cc2ccccc21 ZINC000101633736 KJ Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3CCCCCCCN2CCC(CNS(C)(=O)=O)CC2)cc2ccccc21 ZINC000101633742 KJ Annotated Anodyne C/C(=C\[C@@H](O)C[C@@H](C)[C@@]1(C)C[C@H]2O[C@@]23[C@]2(CC[C@H]4C(C)(C)[C@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000101640129 KJ Annotated Anodyne COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(NCc1ccccc1)=CC3=O)C2=O ZINC000101640652 KJ Annotated Mild CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3c(C)nn(-c4ccc(Cl)cc4)c3O)cc2)s1 ZINC000101641196 KJ Annotated Mild CS(=O)(=O)c1ccc([C@@H]2CC[C@@H](OCC3CCN(Cc4nc(C(F)(F)F)no4)CC3)CC2)c(F)c1 ZINC000101659413 KJ Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO)CC[C@H]3CO[C@@H]3CC[C@@H](C(=O)O)CC3)c(F)c2o1 ZINC000101664878 KJ Annotated Anodyne CO[C@@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1CO[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000101664907 KJ Annotated Anodyne CO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1CO[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000101664913 KJ Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3CS(C)(=O)=O)c(F)c2o1 ZINC000101664946 KJ Annotated Anodyne C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OP(=O)(O)O)c1ccc(F)cc1F ZINC000101670878 KJ Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000101670950 KJ Annotated Anodyne C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23c2ccc([nH]2)C(=O)C1=O ZINC000101672297 KJ Annotated Mild CC1=CC(O)=C2C(=O)c3c(O)cccc3[C@@]34Oc5c(ccc6c5C(=O)c5c(O)cc(C)cc5C6=O)[C@@]23[C@@H]1[C@H](C)O4 ZINC000101674004 KJ Annotated Mild CC1=CC(O)=C2C(=O)c3c(O)cccc3[C@@]34Oc5c(ccc6c5C(=O)c5c(O)cc(C)cc5C6=O)[C@]23[C@@H]1[C@H](C)O4 ZINC000101674006 KJ Annotated Mild COc1ccc(-c2cnc(N3CCN(C(=O)NC4[C@H]5CC6C[C@H]4CC(OC(N)=O)(C6)C5)c4ccccc43)nc2)cc1 ZINC000101676228 KJ Annotated Anodyne COc1ccc(-c2cnc(N3CCN(C(=O)N[C@@H]4[C@H]5CC6C[C@@H]4C[C@@](OC(N)=O)(C6)C5)c4ccccc43)nc2)cc1 ZINC000101676229 KJ Annotated Anodyne COc1ccc(-c2cnc(N3CCN(C(=O)N[C@H]4[C@H]5CC6C[C@@H]4C[C@](OC(N)=O)(C6)C5)c4ccccc43)nc2)cc1 ZINC000101676230 KJ Annotated Anodyne COc1ccc(-c2cnc(N3CCN(C(=O)NC4[C@@H]5CC6C[C@@H]4CC(OC(N)=O)(C6)C5)c4ccccc43)nc2)cc1 ZINC000101676234 KJ Annotated Anodyne CC(C)(C)N1CCN(c2ccc(N3CCN(C(=O)NC4[C@H]5CC6C[C@H]4CC(O)(C6)C5)c4ccccc43)nc2)CC1 ZINC000101676292 KJ Annotated Anodyne CC(C)(C)N1CCN(c2ccc(N3CCN(C(=O)N[C@@H]4[C@H]5CC6C[C@@H]4C[C@@](O)(C6)C5)c4ccccc43)nc2)CC1 ZINC000101676295 KJ Annotated Anodyne CC(C)(C)N1CCN(c2ccc(N3CCN(C(=O)N[C@H]4[C@H]5CC6C[C@@H]4C[C@](O)(C6)C5)c4ccccc43)nc2)CC1 ZINC000101676297 KJ Annotated Anodyne CC(C)(C)N1CCN(c2ccc(N3CCN(C(=O)NC4[C@@H]5CC6C[C@@H]4CC(O)(C6)C5)c4ccccc43)nc2)CC1 ZINC000101676299 KJ Annotated Anodyne C=C(C)/C=C1C(=C2\C[C@H](O)[C@@H]3O[C@]3(CC=C(C)C)C2=O)/C=C(C)C[C@@]/12C[C@H](O)[C@@H]1O[C@]1(CC=C(C)C)C2=O ZINC000101700937 KJ Annotated Mild O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OC12CC3C[C@@H](C1)C(OC(=O)c1ccccc1)[C@@H](C3)C2)c1ccccc1 ZINC000101705229 KJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OC12CC3C[C@H](C1)C(OC(=O)c1ccccc1)[C@H](C3)C2)c1ccccc1 ZINC000101705237 KJ Annotated Anodyne C=C(C)/C=C1C(=C2\C[C@H](O)[C@@H]3O[C@]3(CC=C(C)C)[C@@H]2O)/C=C(C)C[C@@]/12C[C@H](O)[C@@H]1O[C@]1(CC=C(C)C)C2=O ZINC000101705420 KJ Annotated Mild CC(C)CCC1(CCC(C)C)C(=O)C(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)=C(O)c2ccccc21 ZINC000101705742 KJ Annotated Mild C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C\C=C\[C@@H](OC(=O)CCC(=O)O)C/C=C/C=C\C(=O)O1 ZINC000101728141 KJ Annotated Anodyne CCc1c(Cc2cc(C)cc(C)c2)n(COCc2ccc(Cc3cccc(C(=O)/C=C(\O)C(=O)O)c3)cc2)c(=O)[nH]c1=O ZINC000101745062 KJ Annotated Mild C/C1=C\[C@@H](OC(=O)C2CCCCC2)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@@](=O)SC(=O)[C@]2(C)O ZINC000101752771 KJ Annotated Reactive CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H]1c1ccccc1 ZINC000101757723 KJ Annotated Bother CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCN2CCC(CNS(C)(=O)=O)CC2)cc2ccccc21 ZINC000101759157 KJ Annotated Anodyne CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101761607 KJ Annotated Anodyne O=C1[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101839875 KJ Annotated Anodyne O=C1[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101839877 KJ Annotated Anodyne O=C1[C@H]2C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)=NO[C@H]2C(=O)N1c1ccccc1 ZINC000101839880 KJ Annotated Anodyne O=C1[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101839884 KJ Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N)C(=O)C(O)=C3C(C)C)/C(=C/N)C(=O)C(O)=C2C(C)C ZINC000101899934 KJ Annotated Mild CC(=O)NCCCC[C@@H]1N[C@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000101902209 KJ Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCN(C)CC2)CC1 ZINC000101916505 KJ Annotated Anodyne C=C(CC/C=C\C=C\C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)[C@H](C)[C@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000101957250 KJ Annotated Mild CCc1cc(=O)c2ccc(OCc3cccc(C#N)c3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101998874 KJ Annotated Mild CCc1cc(=O)c2ccc(OCc3cccc(C#N)c3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101998877 KJ Annotated Mild CCOc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000102006394 KJ Annotated Reactive Cc1ccc(S(=O)(=O)NC2=C(C#N)[C@H](c3ccc(Cl)cc3)c3sc(Nc4ccc(S(N)(=O)=O)cc4)nc3O2)cc1 ZINC000102007315 KJ Annotated Reactive Cc1ccc(S(=O)(=O)NC2=C(C#N)[C@@H](c3ccc(Cl)cc3)c3sc(Nc4ccc(S(N)(=O)=O)cc4)nc3O2)cc1 ZINC000102007318 KJ Annotated Reactive Nc1nc(=S)[nH]c2c1[C@@H](c1ccc(Cl)cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2 ZINC000102007333 KJ Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@H](c1ccc(Cl)cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2 ZINC000102007336 KJ Annotated Anodyne Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000102029688 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccc(-n3ccnc3)cc1)C2 ZINC000102069616 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccc(-n3ccnc3)cc1)C2 ZINC000102069621 KJ Annotated Anodyne O=C1OCCN1c1ccc([C@@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000102070547 KJ Annotated Anodyne O=C1OCCN1c1ccc([C@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000102070550 KJ Annotated Anodyne CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCCCCCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c1=O ZINC000102071464 KJ Annotated Mild CC(=O)Nc1cccc([C@@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000102073303 KJ Annotated Anodyne CC(=O)Nc1cccc([C@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000102073307 KJ Annotated Anodyne O=C(NN1C(=O)CC(=O)N(C2CCCCC2)C1=S)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000102080005 KJ Annotated Anodyne CC[C@@H](C)CCCCCCC(=O)/C=C(\O)C1=C2C=C(C[C@H](O)CO)/C(=C/NCc3ccccc3)C(=O)[C@]2(C)OC1=O ZINC000102146932 KJ Annotated Mild CC[C@H](C)CCCCCCC(=O)/C=C(\O)C1=C2C=C(C[C@H](O)CO)/C(=C/NCc3ccccc3)C(=O)[C@]2(C)OC1=O ZINC000102146936 KJ Annotated Mild CC[C@@H](C)CCCCCCC(=O)/C=C(\O)C1=C2C=C(C[C@@H](O)CO)/C(=C/NCc3ccccc3)C(=O)[C@]2(C)OC1=O ZINC000102146940 KJ Annotated Mild CC[C@H](C)CCCCCCC(=O)/C=C(\O)C1=C2C=C(C[C@@H](O)CO)/C(=C/NCc3ccccc3)C(=O)[C@]2(C)OC1=O ZINC000102146945 KJ Annotated Mild C=C1[C@@H](OC(=O)c2ccco2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102147555 KJ Annotated Mild C=C1[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102151354 KJ Annotated Mild C=C(Cl)CN1C[C@H](OC(C)=O)[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](C)C1 ZINC000102162061 KJ Annotated Mild C=C(Cl)CN1C[C@H](OC(C)=O)[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](C)C1 ZINC000102162065 KJ Annotated Mild C=C(Cl)CON1C[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 ZINC000102163206 KJ Annotated Mild C=C(Cl)CON1C[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 ZINC000102163213 KJ Annotated Mild C=C(Cl)CON1C[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 ZINC000102163215 KJ Annotated Mild COc1ccc2c(c1)CO[C@@H]1[C@H]2C2=C(OC1(C)C)C(=O)C1=C(OC(C)(C)[C@H]3COc4cc(OC)ccc4[C@@H]13)C2=O ZINC000102163336 KJ Annotated Mild CC(=O)O[C@@H](C[C@]12[C@@H]3CCC[C@@]34CC[C@@H]3[C@H](O)N4[C@@H]1[C@@H](C(C)C)CC[C@@]32C)C(=O)[C@]1(C)CO[C@@]2(C)CC[C@H]1O2 ZINC000102165462 KJ Annotated Anodyne CC(=O)O[C@@H](C[C@]12[C@@H]3CCC[C@@]34CC[C@H]3[C@H](O)N4[C@@H]1[C@@H](C(C)C)CC[C@@]32C)C(=O)[C@]1(C)CO[C@@]2(C)CC[C@H]1O2 ZINC000102165464 KJ Annotated Anodyne O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCC(N4CCCCC4)CC3)cc2n2c1sc1ccccc12 ZINC000102179566 KJ Annotated Bother CCCCC/C=C\C[C@@]1(OC(C)=O)C=C(Cl)C(=O)/C1=C/[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000102185877 KJ Annotated Mild CCCCC/C=C\C[C@@]1(OC(C)=O)C=C(Cl)C(=O)/C1=C\[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000102185889 KJ Annotated Mild CC/C=C\C/C=C\C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000102185903 KJ Annotated Mild CC[C@@H](C)/C=C(\C)C[C@@H](C)C[C@@H](C)/C=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 ZINC000102192873 KJ Annotated Mild O=c1c(NC/C=C\COc2csc(CN3CCCCC3)c2)c(NCC(F)(F)C(F)(F)C(F)(F)F)c1=O ZINC000102198365 KJ 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)CCNC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000102206647 KJ 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)CCNC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000102206655 KJ 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)CCNC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000102206657 KJ 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)CCNC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000102206663 KJ Annotated Mild CCN(CC)CCNc1ccc(CNS(=O)(=O)c2ccccc2)c2sc3ccc(OC)cc3c(=O)c12 ZINC000102210137 KJ Annotated Bother C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000102211156 KJ Annotated Mild C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000102211166 KJ Annotated Mild O=C1Nc2ccccc2N=C(c2ccc3c(c2)OCO3)[C@H]1N(CCc1ccccc1)C(=O)CSc1ncccn1 ZINC000102225459 KJ Annotated Anodyne O=C1Nc2ccccc2N=C(c2ccc3c(c2)OCO3)[C@@H]1N(CCc1ccccc1)C(=O)CSc1ncccn1 ZINC000102225462 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000102269085 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000102269090 KJ Annotated Anodyne CC(C)(COC(=O)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C\C#C[C@H]14)S(=O)(=O)c1ccccc1 ZINC000102293192 KJ Annotated Mild COc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1OC ZINC000102297216 KJ Annotated Anodyne COc1ccc([C@H]2c3ccc(OCc4ccccc4)cc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1OC ZINC000102297221 KJ Annotated Anodyne C/C=C/C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@@H]1OC ZINC000102302426 KJ Annotated Anodyne C/C=C/C[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@@H]1OC ZINC000102302430 KJ Annotated Anodyne O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)Nc3cnn(-c4ccccc4)c3)cc2)C(=O)c2ccccc21 ZINC000102307217 KJ Annotated Mild COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc3ccccc13)N(C)[C@@H]2c1cccc2ccccc12 ZINC000102307925 KJ Annotated Anodyne COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCOc2c(cc(-c3cnc4ccccc4c3)cc2OC)C1 ZINC000102350874 KJ Annotated Anodyne O=C1C(C2=N[C@@H](c3ccccn3)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000102352511 KJ Annotated Mild O=C1C(C2=N[C@@H](c3ccccn3)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000102352517 KJ 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([C@@H](C)c3ccccc3)C(=O)[C@H]12 ZINC000102386939 KJ Annotated Mild O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000102585433 KJ Annotated Reactive CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CC3CC3)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000102630894 KJ 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([C@@H](C)c4ccccc4)C(=O)[C@H]3CC[C@@H]12 ZINC000102732864 KJ Annotated Mild CN[C@@H]1[C@@H](O)C[C@H](O[C@@H]2C/C=C(/C)C/C(C)=C\C=C/CC[C@@H](C)CNC(=O)/C=C\C=C/[C@H]2C)O[C@H]1C ZINC000102757645 KJ Annotated Anodyne CCc1ccc(NC(=O)Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000102768146 KJ Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1nc3[nH]nc(-c4ccc(Cl)cc4)n3c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102810463 KJ Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1nc3[nH]nc(-c4ccc(Cl)cc4)n3c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102810464 KJ Annotated Mild COc1cc2c(cc1OC)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)CCC2 ZINC000102815140 KJ Annotated Mild COc1cc2c(cc1OC)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)CCC2 ZINC000102815143 KJ Annotated Mild CC(C)(C)CC[C@@]1(C)C(=O)/C(=C2/C=C(CO)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2ccccc21 ZINC000102824487 KJ Annotated Mild CN(C)C(=O)C1=C/C(=C2\C(=O)c3ccccc3[C@@](C)(CCC(C)(C)C)C2=O)Nc2ccc(NS(C)(=O)=O)cc21 ZINC000102825352 KJ Annotated Mild N#Cc1ccc2c(c1)C[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3c(c(=O)oc4ccccc34)[C@H]2O1 ZINC000102847785 KJ Annotated Mild N#Cc1ccc2c(c1)C[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3c(c(=O)oc4ccccc34)[C@@H]2O1 ZINC000102847788 KJ Annotated Mild COc1cc2c(cc1OC)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)c1ccccc1C2=O ZINC000102851772 KJ Annotated Mild COc1cc2c(cc1OC)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)c1ccccc1C2=O ZINC000102851778 KJ Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102876709 KJ Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102876712 KJ Annotated Mild CCCCCN1C(=O)CN/C1=N\c1ccc2cc3ccc(/N=C4\NCC(=O)N4CCCCC)cc3nc2c1 ZINC000102889305 KJ Annotated Mild CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)c(OC)c3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000102903905 KJ Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CCc3c[nH]c4ccccc34)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000102904904 KJ Annotated Mild CC1(C)[C@@H]2/C=C(\CO)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](COC(=O)c4ccccc4)[C@H](O)[C@@H]3[C@H]3O[C@]3(C)CC[C@@H]21 ZINC000102905338 KJ Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CC3CC3)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000102913535 KJ Annotated Mild O=C1CS[C@@H](c2c(O)ccc3ccccc23)N1n1c(S)nnc(/C=C/c2c(O)ccc3ccccc23)c1=O ZINC000102917302 KJ Annotated Clean O=C1CS[C@H](c2c(O)ccc3ccccc23)N1n1c(S)nnc(/C=C/c2c(O)ccc3ccccc23)c1=O ZINC000102917306 KJ Annotated Clean CC(=O)C1=NN(c2ccccc2)[C@H]2[C@H]3N(c4ccccc4)N=C(C(C)=O)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000102918125 KJ Annotated Anodyne CC(=O)C1=NN(c2ccccc2)[C@H]2[C@H]3N(c4ccccc4)N=C(C(C)=O)N3c3cc(-c4ccccc4)[nH]c3N12 ZINC000102918128 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OC)N3c3cccc(C)c3N12 ZINC000102922205 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OC)N3c3c(C)cccc3N12 ZINC000102922209 KJ Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(C(=O)OC)c3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102927383 KJ Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(C(=O)OC)c3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102927387 KJ Annotated Anodyne COC(=O)C1=C(OC)C(=[P@@]2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC ZINC000102940685 KJ Annotated Unstable COc1ccc([C@H]2C=C(c3ccc(C)cc3)N(c3ccc(OC)cc3[N+](=O)[O-])[C@H]3C(=O)OC(=O)[C@H]23)c(OC)c1 ZINC000102940727 KJ Annotated Reactive COc1ccc([C@@H]2C=C(c3ccc(C)cc3)N(c3ccc(OC)cc3[N+](=O)[O-])[C@H]3C(=O)OC(=O)[C@H]23)c(OC)c1 ZINC000102940730 KJ Annotated Reactive COc1ccc([C@@H]2C=C(c3ccc(C)cc3)N(c3ccc(OC)cc3[N+](=O)[O-])[C@H]3C(=O)OC(=O)[C@@H]23)c(OC)c1 ZINC000102940735 KJ Annotated Reactive O=C1C2=C(C[C@@H]3[C@H](C2)C3(Br)Br)C(=O)C2=C1C[C@@H]1[C@@H](C2)C1(Br)Br ZINC000102943013 KJ Annotated Mild O=C1C2=C(C[C@H]3[C@H](C2)C3(Br)Br)C(=O)C2=C1C[C@@H]1[C@@H](C2)C1(Br)Br ZINC000102943014 KJ Annotated Mild O=C1C2=C(C[C@@H]3[C@@H](C2)C3(Br)Br)C(=O)C2=C1C[C@@H]1[C@@H](C2)C1(Br)Br ZINC000102943015 KJ Annotated Mild CC(=O)O[C@H]1C[C@@H](O)/C(C)=C/[C@H]2[C@@H](Oc3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C ZINC000102945560 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H](O)/C(C)=C/[C@H]2[C@@H](Oc3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C ZINC000102945562 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](Oc3ccccc3)[C@@H](C)C[C@@]21O ZINC000102945564 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@H](O)/C(C)=C/[C@H]2[C@@H](Oc3ccccc3)[C@@H](C)C[C@@]21O ZINC000102945568 KJ Annotated Anodyne Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]4ON3[C@H](C(N)=O)c3ccccc3)c2c1 ZINC000102946370 KJ Annotated Anodyne CC1=C2c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2[C@H](C(=O)N2[C@@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)CC1 ZINC000102949192 KJ Annotated Anodyne CC1=C2c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2[C@H](C(=O)N2[C@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)CC1 ZINC000102949194 KJ Annotated Anodyne O=C(CC(=O)Nc1ccccc1)NN[C@@H](c1cc(/N=N/c2ccc(Br)cc2)ccc1O)P(O)O ZINC000102956998 KJ Annotated Reactive O=C(CC(=O)Nc1ccccc1)NN[C@H](c1cc(/N=N/c2ccc(Br)cc2)ccc1O)P(O)O ZINC000102956999 KJ Annotated Reactive CCOP(=O)(C/C(O)=C1\C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N(Cc2ccccc2)C1=O)OCC ZINC000102965509 KJ Annotated Mild CCOP(=O)(C/C(O)=C1\C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)N(Cc2ccccc2)C1=O)OCC ZINC000102965510 KJ Annotated Mild C[N+](C)(C)CC(=O)N/N=C(/CC(=O)C[C@H](C1=C(O)c2ccccc2OC1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000102972163 KJ Annotated Reactive C[N+](C)(C)CC(=O)N/N=C(/CC(=O)C[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000102972166 KJ Annotated Reactive NC1=NN(c2ccccc2)C(=O)[C@H]1/C(=N\NC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000102986613 KJ Annotated Reactive CCCC(=O)OC[C@H]1CN(c2ccc(N3CCC4(CC3)[C@@H]3CC[C@@H]4N(C(=O)OC(C)(C)C)O3)c(F)c2)C(=O)O1 ZINC000102992953 KJ Annotated Anodyne CCCC(=O)OC[C@H]1CN(c2ccc(N3CCC4(CC3)[C@H]3CC[C@H]4N(C(=O)OC(C)(C)C)O3)c(F)c2)C(=O)O1 ZINC000102992959 KJ Annotated Anodyne CC(C)OC(=O)/C(O)=C/C(=O)c1cc(Cc2ccc(F)cc2F)cn(Cc2ccc(F)cc2F)c1=O ZINC000103007366 KJ Annotated Mild COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)OCc3ccccc3)[C@@H]1[C@@H]1OC(C)(C)O[C@H]12 ZINC000103008810 KJ Annotated Anodyne C[C@@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000103022703 KJ Annotated Anodyne C[C@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000103022705 KJ Annotated Anodyne C[C@@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000103022707 KJ Annotated Anodyne C[C@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000103022709 KJ Annotated Anodyne C[C@H]1COc2c(NC(=O)[C@@H]3CC[C@H](COc4cccc(F)c4F)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000103024462 KJ Annotated Anodyne COc1c(NC(=O)[C@@H]2CC[C@@H](COc3ccc([N+](=O)[O-])cc3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000103024886 KJ Annotated Bother CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)CC(=O)CC(=O)N1CC(OC)=CC1=O)OC ZINC000103026042 KJ Annotated Mild COc1c(NC(=O)[C@@H]2CC[C@H](COc3ccc([N+](=O)[O-])cc3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000103027195 KJ Annotated Bother COc1cccc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCN(C)CC4)cc3)cn2)c1C ZINC000103027612 KJ Annotated Clean COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCN(C)CC4)cc3)cn2)c1C ZINC000103027616 KJ Annotated Clean C[C@H]1COc2c(NC(=O)[C@@H]3CC[C@@H](COc4cccc(F)c4F)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000103028347 KJ Annotated Anodyne CCC(CC)Nc1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O ZINC000103029557 KJ Annotated Anodyne CCC(CC)Nc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O ZINC000103029562 KJ Annotated Anodyne C[C@H]1COc2c(NC(=O)[C@@H]3CC[C@@H](COc4ccc([N+](=O)[O-])cc4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000103032515 KJ Annotated Bother C[C@H]1COc2c(NC(=O)[C@@H]3CC[C@H](COc4ccc([N+](=O)[O-])cc4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000103032545 KJ Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(OC)cc2)=Nc2ccccc2N1C(=O)Cc1cc(OC)cc(OC)c1 ZINC000103049441 KJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(OC)cc2)=Nc2ccccc2N1C(=O)Cc1cc(OC)cc(OC)c1 ZINC000103049443 KJ Annotated Anodyne Cc1cnc(C(=O)N(c2ccc(N3CCOCC3)cc2)[C@H]2C(=O)Nc3ccccc3N=C2c2ccc(F)cc2)cn1 ZINC000103051745 KJ Annotated Anodyne Cc1cnc(C(=O)N(c2ccc(N3CCOCC3)cc2)[C@@H]2C(=O)Nc3ccccc3N=C2c2ccc(F)cc2)cn1 ZINC000103051748 KJ Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)Cc3cc(OC)cc(OC)c3)[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000103053474 KJ Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)Cc3cc(OC)cc(OC)c3)[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000103053475 KJ Annotated Anodyne CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3COC(C)C)[C@]14O2 ZINC000103084542 KJ Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4CN1CCCCC1)C2=O ZINC000103087140 KJ Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4COC(C)C)C2=O ZINC000103090245 KJ Annotated Mild CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3CN3CCCC3)[C@]14O2 ZINC000103091337 KJ Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4CN1CCCC1)C2=O ZINC000103095932 KJ Annotated Mild CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3CN3CCCCC3)[C@]14O2 ZINC000103096644 KJ Annotated Mild CO[C@@]12C=C3C(=O)O[C@]4(O[C@]35[C@@H](C1)C(C)(C)O[C@@]5(CC=C(C)C)C2=O)C(=O)C1=C(C=CC(C)(C)O1)C(=O)[C@H]4CC=C(C)C ZINC000103104155 KJ Annotated Mild CO[C@@]12C=C3C(=O)O[C@]4(O[C@]35[C@@H](C1)C(C)(C)O[C@@]5(CC=C(C)C)C2=O)C(=O)C1=C(C=CC(C)(C)O1)C(=O)[C@@H]4CC=C(C)C ZINC000103104157 KJ Annotated Mild COC1(OC)C2=C(OC(C)(C)C=C2)C(=O)[C@@H](OC(=O)C2=C[C@]3(OC)C[C@H]4C(C)(C)O[C@@](CC=C(C)C)(C3=O)[C@]24O)[C@@H]1CC=C(C)C ZINC000103104166 KJ Annotated Mild CC(=O)N1CCC(C(=O)N2c3ccccc3N=C(c3ccc4c(c3)OCO4)[C@H]2C(=O)Nc2c(C)cccc2C)CC1 ZINC000103113028 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N2c3ccccc3N=C(c3ccc4c(c3)OCO4)[C@@H]2C(=O)Nc2c(C)cccc2C)CC1 ZINC000103113033 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N2c3ccccc3N=C(c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC2CCCC2)CC1 ZINC000103117042 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N2c3ccccc3N=C(c3ccc(C(F)(F)F)cc3)[C@H]2C(=O)NC2CCCC2)CC1 ZINC000103117046 KJ Annotated Anodyne CC(=O)Nc1ccc(C(=O)N2c3ccccc3N=C(c3ccc4c(c3)OCO4)[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000103125556 KJ Annotated Anodyne CC(=O)Nc1ccc(C(=O)N2c3ccccc3N=C(c3ccc4c(c3)OCO4)[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000103125560 KJ Annotated Anodyne COc1ccc(-c2c(C#N)c(N)n(/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)c2C#N)cc1 ZINC000103134577 KJ Annotated Mild COc1cc(-c2c(C#N)c(N)n(/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)c2C#N)cc(OC)c1OC ZINC000103134579 KJ Annotated Mild CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(-c4ccc(CN(C)C)cc4)cc23)cc1 ZINC000103135368 KJ Annotated Anodyne CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(-c4ccc5c(c4)CCN(C)C5)cc23)cc1 ZINC000103135371 KJ Annotated Anodyne CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2cc(-c4ccc(CN(C)C)cc4)ccc23)cc1 ZINC000103135374 KJ Annotated Anodyne CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2cc(-c4ccc5c(c4)CCN(C)C5)ccc23)cc1 ZINC000103135377 KJ Annotated Anodyne Cc1c(C(N)=O)sc2nc(C)n(/N=c3\scc(-c4ccc(Cl)cc4)n3-c3ccccc3)c(=O)c12 ZINC000103155769 KJ Annotated Anodyne Cc1c(C(N)=O)sc2nc(C)n(/N=c3\scc(-c4ccc(Br)cc4)n3-c3ccccc3)c(=O)c12 ZINC000103155770 KJ Annotated Anodyne Cc1c(C(N)=O)sc2nc(C)n(/N=c3\scc(-c4ccc(Cl)cc4)n3Cc3ccccc3)c(=O)c12 ZINC000103155775 KJ Annotated Anodyne COc1ccc(/C=N/n2cnc3c(c2=N)[C@H](c2ccc(OC)c(OC)c2)C2=C(CCCC2)N3)cc1OC ZINC000103157166 KJ Annotated Mild COc1ccc(/C=N/n2cnc3c(c2=N)[C@@H](c2ccc(OC)c(OC)c2)C2=C(CCCC2)N3)cc1OC ZINC000103157167 KJ Annotated Mild Cc1c(C(N)=O)sc2nc(C)n(/N=c3\scc(-c4ccc(Br)cc4)n3Cc3ccccc3)c(=O)c12 ZINC000103161824 KJ Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000103167367 KJ Annotated Anodyne CCCNC(=S)NS(=O)(=O)c1ccc(N2N=C(c3ccc(Oc4ccccc4)cc3)CCC2=O)cc1 ZINC000103168330 KJ Annotated Anodyne CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccccc2)CC1 ZINC000103168460 KJ Annotated Anodyne O=C1/C(=N\n2c(CCc3ccccc3)n[nH]c2=S)c2cc(Br)ccc2N1CN1CCCCC1 ZINC000103169875 KJ Annotated Mild CN(C)c1ccc([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccco3)C2(C#N)C#N)cc1 ZINC000103170595 KJ Annotated Mild CN(C)c1ccc([C@@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccco3)C2(C#N)C#N)cc1 ZINC000103170598 KJ Annotated Mild CN(C)c1ccc([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@H](c3ccco3)C2(C#N)C#N)cc1 ZINC000103170599 KJ Annotated Clean CN(C)c1ccc([C@@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@H](c3ccco3)C2(C#N)C#N)cc1 ZINC000103170601 KJ Annotated Clean Cc1ccc(F)cc1[C@H]1N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H](c2ccco2)C1(C#N)C#N ZINC000103170612 KJ Annotated Mild Cc1ccc(F)cc1[C@@H]1N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H](c2ccco2)C1(C#N)C#N ZINC000103170615 KJ Annotated Mild Cc1ccc(F)cc1[C@H]1N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H](c2ccco2)C1(C#N)C#N ZINC000103170617 KJ Annotated Anodyne Cc1ccc(F)cc1[C@@H]1N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H](c2ccco2)C1(C#N)C#N ZINC000103170619 KJ Annotated Anodyne Cc1ccccc1NC(=O)Nc1cc2c(Sc3nnc(-c4cccnc4)o3)ncnc2cc1N1CCN(C)CC1 ZINC000103171183 KJ Annotated Anodyne Cc1cccc(NC(=O)Nc2cc3c(Sc4nnc(-c5cccnc5)o4)ncnc3cc2N2CCN(C)CC2)c1 ZINC000103171186 KJ Annotated Anodyne Cc1ccc(NC(=O)Nc2cc3c(Sc4nnc(-c5cccnc5)o4)ncnc3cc2N2CCN(C)CC2)cc1 ZINC000103171767 KJ Annotated Anodyne C/C(=N\n1c(/N=C/c2cccc([N+](=O)[O-])c2)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103176150 KJ Annotated Mild C/C(=N\n1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103176152 KJ Annotated Mild C#CCOC(=O)[C@@H](C)Oc1ccc(OC(=O)[C@@H](C)Oc2ccc(Oc3ncc(Cl)cc3F)cc2)cc1 ZINC000103176956 KJ Annotated Mild CO[C@H]1O[C@@H]2[C@H](O)C(C)=C[C@H]3C(=O)O[C@H]4C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C\1[C@@]32O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C4 ZINC000103177112 KJ Annotated Anodyne O=C1OC(c2ccccc2)=N/C1=C/c1nc2ccc(I)cc2c(=O)n1-c1ccc(Cl)cc1 ZINC000103177741 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c(=O)n3C3=NNC(=O)[C@@H]3/N=N/c3ccccc3)cc2)cc1 ZINC000103177898 KJ Annotated Clean Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c(=O)n3C3=NNC(=O)[C@H]3/N=N/c3ccccc3)cc2)cc1 ZINC000103177900 KJ Annotated Clean O=C1c2cccc3cccc(c23)C(=O)N1n1c(-c2cccs2)nc2ccc(I)cc2c1=O ZINC000103178257 KJ 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@H](O)C[C@H](OC(=O)CC(C)C)[C@@]1(C)[C@@H]23 ZINC000103178341 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC(=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000103178346 KJ Annotated Anodyne CO[C@@H]1O[C@@H]2[C@H](O)C(C)=C[C@H]3C(=O)O[C@H]4C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C\1[C@@]32O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C4 ZINC000103178468 KJ Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\[C@@H](OC)O[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000103178470 KJ Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\[C@H](OC)O[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000103178473 KJ Annotated Anodyne COc1ccccc1NC(=S)Nc1cc2c(Sc3nnc(-c4cccnc4)o3)ncnc2cc1N1CCN(C)CC1 ZINC000103179000 KJ Annotated Anodyne COc1ccc(N2CCN(C(=O)Cc3ccc(CCCN4Cc5cc6ccccc6nc5C4=O)cc3)CC2)cc1 ZINC000103179343 KJ Annotated Clean Cc1ccc2c(c1I)CN1CN2Cc2c1ccc(C)c2I ZINC000103179618 KJ Annotated Anodyne Cc1cc2c(cc1I)N1Cc3cc(C)c(I)cc3N(C2)C1 ZINC000103179728 KJ Annotated Anodyne O=C(Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1)N1CCN(c2ccccc2)CC1 ZINC000103182006 KJ Annotated Anodyne Cc1cc(/N=C2\C(=O)N(S(C)(=O)=O)c3ccc(OC(F)(F)F)cc32)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000103182933 KJ Annotated Mild CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=S)NC2CCCCC2)CC1 ZINC000103183887 KJ Annotated Anodyne CC(C)c1csc(-c2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)n1 ZINC000103185006 KJ Annotated Reactive CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=S)Nc2ccccc2)CC1 ZINC000103187896 KJ Annotated Anodyne COc1ccc(/C=N/[C@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000103190016 KJ Annotated Mild COc1ccc(/C=N/[C@@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000103190019 KJ Annotated Mild COc1ccc(/C=N/[C@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000103190021 KJ Annotated Mild COc1ccc(/C=N/[C@@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000103190025 KJ Annotated Mild Cc1nc2c(I)cc(I)cc2c(=O)n1Cc1ccc(Br)cc1 ZINC000103191769 KJ Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccccc2O)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103193441 KJ Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccc(O)cc2)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103193444 KJ Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccccc2[N+](=O)[O-])cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103193526 KJ Annotated Bother CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCBr)(CCCBr)C3)c2ccccc21 ZINC000103194946 KJ Annotated Reactive CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCBr)(CCCBr)C3)c2ccccc21 ZINC000103194950 KJ Annotated Reactive O=C(CN1CCOCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103194985 KJ Annotated Bother O=C(CN1CCOCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103196564 KJ Annotated Bother O=C(CSc1nnc(-c2cc3ccccc3oc2=O)o1)Nc1nc2ccc(I)cc2s1 ZINC000103197426 KJ Annotated Anodyne CCOC(=O)c1s/c(=N\CCCCCC/N=c2/sc(C(=O)OCC)c(N)n2-c2ccccc2)n(-c2ccccc2)c1N ZINC000103199548 KJ Annotated Anodyne O=C1CS[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1n1c(S)nnc1COc1ccc2ccccc2c1 ZINC000103199792 KJ Annotated Anodyne O=C1CS[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1n1c(S)nnc1COc1ccc2ccccc2c1 ZINC000103199796 KJ Annotated Anodyne Cc1c(/N=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000103200204 KJ Annotated Mild COCCOP(=O)(OCCOC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1F ZINC000103201053 KJ Annotated Reactive COCCOP(=O)(OCCOC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1F ZINC000103201055 KJ Annotated Reactive Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3ccc(C#N)cc3)c1=O)=N2 ZINC000103201296 KJ Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3ccc(C#N)cc3)c1=O)=N2 ZINC000103201298 KJ Annotated Mild COc1cc2c(Br)c(CN3CCC[C@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103202406 KJ Annotated Bother COc1cc([C@@H]2c3cc4c(cc3C3=NOC[C@H]3[C@@H]2COC(=O)c2cccc(F)c2)OCO4)cc(OC)c1OC ZINC000103203855 KJ Annotated Anodyne CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(COS(=O)(=O)c2ccc(C)cc2)nn1-c1ncccc1Cl ZINC000103206019 KJ Annotated Mild O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccccc1 ZINC000103206727 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccccc1 ZINC000103206729 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccccc1 ZINC000103206732 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccccc1 ZINC000103206736 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccc(F)cc1 ZINC000103206738 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccc(F)cc1 ZINC000103206742 KJ Annotated Anodyne Cc1ccc(F)c([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccco3)C2(C#N)C#N)c1 ZINC000103207548 KJ Annotated Mild Cc1ccc(F)c([C@@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccco3)C2(C#N)C#N)c1 ZINC000103207553 KJ Annotated Mild Cc1ccc(F)c([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@H](c3ccco3)C2(C#N)C#N)c1 ZINC000103207555 KJ Annotated Anodyne Cc1ccc(F)c([C@@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@H](c3ccco3)C2(C#N)C#N)c1 ZINC000103207558 KJ Annotated Anodyne CCOP(=O)(OCC)O/C(COc1ccccc1P(=O)(OCC)OCC)=N\N=C1/C(=O)Nc2ccccc21 ZINC000103207625 KJ Annotated Mild COCCOP(=O)(OCCOC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1 ZINC000103207734 KJ Annotated Reactive COCCOP(=O)(OCCOC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1 ZINC000103207737 KJ Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000103207952 KJ Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000103207955 KJ Annotated Reactive CCOP(=O)(OCC)O/C(=N\N=C1/C(=O)Nc2ccccc21)c1ccccc1P(=O)(OCC)OCC ZINC000103209162 KJ Annotated Mild Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@H]4c4ccc(Cl)cc4)c[nH]c3c12 ZINC000103211595 KJ Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@@H]4c4ccc(Cl)cc4)c[nH]c3c12 ZINC000103211597 KJ Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@H]4c4ccc(Cl)cc4)c[nH]c3c12 ZINC000103211601 KJ Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@@H]4c4ccc(Cl)cc4)c[nH]c3c12 ZINC000103211604 KJ Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@H]4c4ccccc4Cl)c[nH]c3c12 ZINC000103211608 KJ Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4Cl)c[nH]c3c12 ZINC000103211611 KJ Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@H]4c4ccccc4Cl)c[nH]c3c12 ZINC000103211615 KJ Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@@H]4c4ccccc4Cl)c[nH]c3c12 ZINC000103211619 KJ Annotated Reactive CC(C)N1CCN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ncnc4ccccc34)n2)CC1 ZINC000103211846 KJ Annotated Mild N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCN(c4ccccn4)CC3)n2)cc1C(F)(F)F ZINC000103211851 KJ Annotated Mild COc1cc(/C=C2\CCC[C@@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000103213943 KJ Annotated Anodyne COc1cc(/C=C2\CCC[C@@H]3C2=NN(C(C)=O)[C@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000103213946 KJ Annotated Anodyne COc1cc(/C=C2\CCC[C@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000103213948 KJ Annotated Anodyne COc1cc(/C=C2\CCC[C@H]3C2=NN(C(C)=O)[C@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000103213951 KJ Annotated Anodyne C/C(=N\n1c(/N=C/c2ccccc2O)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103215019 KJ Annotated Mild C/C(=N\n1c(/N=C/c2cccc(O)c2)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103215023 KJ Annotated Mild C/C(=N\n1c(/N=C/c2ccc(O)cc2)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103215025 KJ Annotated Mild CCOCCOC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103215350 KJ Annotated Mild CCCCNC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103215356 KJ Annotated Mild CC[C@@H](C)NC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103215360 KJ Annotated Mild CC[C@H](C)NC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103215363 KJ Annotated Mild CC(C)(C)NC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103215366 KJ Annotated Mild C/C(=N\n1c(/N=C/c2ccc(N(C)C)cc2)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103215657 KJ Annotated Mild COc1cc(/C=N/c2c(C#N)c(-c3ccccc3O)c(C#N)c(=O)n2/N=C(\C)c2nc3ccccc3[nH]2)ccc1O ZINC000103215659 KJ Annotated Mild COc1cc(/C=N/c2c(C#N)c(-c3ccccc3O)c(C#N)c(=O)n2/N=C(\C)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000103215661 KJ Annotated Mild COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccccc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000103216126 KJ Annotated Anodyne COc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccccc4)n3/N=C/c3ccccc3)n2)cc1 ZINC000103216157 KJ Annotated Mild CCN1CCN(c2nc(Oc3cccc4cccnc34)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)CC1 ZINC000103216505 KJ Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1cccc(F)c1F ZINC000103217904 KJ Annotated Mild N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1cccc(F)c1F ZINC000103217907 KJ Annotated Anodyne N#CC1(C#N)[C@@H](c2cccc(F)c2F)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000103217910 KJ Annotated Mild N#CC1(C#N)[C@@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1cccc(F)c1F ZINC000103217913 KJ Annotated Anodyne Cc1ccc([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccco3)C2(C#N)C#N)c(F)c1 ZINC000103219373 KJ Annotated Mild Cc1ccc([C@@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccco3)C2(C#N)C#N)c(F)c1 ZINC000103219375 KJ Annotated Mild Cc1ccc([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@H](c3ccco3)C2(C#N)C#N)c(F)c1 ZINC000103219378 KJ Annotated Anodyne Cc1ccc([C@@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@H](c3ccco3)C2(C#N)C#N)c(F)c1 ZINC000103219381 KJ Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(F)cc1 ZINC000103219434 KJ Annotated Mild N#CC1(C#N)[C@@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(F)cc1 ZINC000103219436 KJ Annotated Mild Cc1ccc([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccco3)C2(C#N)C#N)cc1 ZINC000103219442 KJ Annotated Mild Cc1ccc([C@@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccco3)C2(C#N)C#N)cc1 ZINC000103219446 KJ Annotated Mild Cc1ccc([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@H](c3ccco3)C2(C#N)C#N)cc1 ZINC000103219449 KJ Annotated Anodyne Cc1ccc([C@@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@H](c3ccco3)C2(C#N)C#N)cc1 ZINC000103219450 KJ Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000103219733 KJ Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000103219736 KJ Annotated Bother O=C1NC(=O)C(=Cc2c(-c3ccccc3)n(CC(=O)c3ccc(Br)cc3)c3ccccc23)C(=O)N1 ZINC000103220154 KJ Annotated Clean O=C(SCc1nc2c(c(=O)[nH]1)[C@@H]1[C@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1)c1ccccc1O ZINC000103223338 KJ Annotated Anodyne O=C(SCc1nc2c(c(=O)[nH]1)[C@H]1[C@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1)c1ccccc1O ZINC000103223342 KJ Annotated Anodyne O=C(SCc1nc2c(c(=O)[nH]1)[C@@H]1[C@@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1)c1ccccc1O ZINC000103223344 KJ Annotated Anodyne O=C(SCc1nc2c(c(=O)[nH]1)[C@H]1[C@@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1)c1ccccc1O ZINC000103223349 KJ Annotated Anodyne Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224420 KJ Annotated Anodyne CCC[C@H](OC(=O)CCCCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225188 KJ Annotated Anodyne CCC[C@@H](OC(=O)CCCCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225191 KJ Annotated Anodyne CCC[C@H](SC(=O)CCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225208 KJ Annotated Anodyne CCC[C@@H](SC(=O)CCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225209 KJ Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)NCCNC(=O)/N=c3/c[n+](-c4ccccc4)[nH]o3)c3cc(F)ccc32)cc1 ZINC000103225337 KJ Annotated Anodyne N#CNC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226878 KJ Annotated Anodyne N#CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226881 KJ Annotated Anodyne COc1cc(/C=C2\OC(=O)C(Br)=C2Br)ccc1OCc1nc(C)c(C)nc1C ZINC000103229253 KJ Annotated Anodyne O=C(OCCN1CCOCC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229649 KJ Annotated Anodyne CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1F ZINC000103229651 KJ Annotated Anodyne CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cn[nH]c2cc1F ZINC000103230376 KJ Annotated Anodyne Cc1cc2[nH]ncc2cc1Cn1c(C(=O)OCCN(C)C)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21 ZINC000103230379 KJ Annotated Anodyne CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(N)nc2ccccc12 ZINC000103230382 KJ Annotated Anodyne Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000103231393 KJ Annotated Anodyne CNCCNC(=O)OC[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232897 KJ Annotated Anodyne CNCCNC(=O)OC[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232900 KJ Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](CO)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232902 KJ Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](CO)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232904 KJ Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](COP(=O)(O)O)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232956 KJ Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](COP(=O)(O)O)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232958 KJ Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](COC(=O)N2CCNCC2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103233807 KJ Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](COC(=O)N2CCNCC2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103233810 KJ Annotated Anodyne CCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234267 KJ Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)NC1=S ZINC000103235541 KJ Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)NC1=S ZINC000103235543 KJ Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(C)cc1 ZINC000103236040 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(C)cc1 ZINC000103236042 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(F)c1 ZINC000103236044 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(F)c1 ZINC000103236046 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(F)cc1 ZINC000103236069 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(F)cc1 ZINC000103236071 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1F ZINC000103236073 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1F ZINC000103236075 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(OC)c1 ZINC000103236093 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(OC)c1 ZINC000103236095 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1OC ZINC000103236097 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1OC ZINC000103236099 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1 ZINC000103236101 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1 ZINC000103236103 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(OC)cc1 ZINC000103236112 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(OC)cc1 ZINC000103236115 KJ Annotated Clean O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCCc4ccccc43)nc3ccccn3c2=O)SC1=S ZINC000103236763 KJ Annotated Clean C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@H](Cc1ccccc1)C(=O)O)C3=O ZINC000103237853 KJ Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(C)c1 ZINC000103237862 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(C)c1 ZINC000103237864 KJ Annotated Clean O=C(CSc1nnnn1-c1ccccc1)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000103238641 KJ Annotated Reactive O=C(CSc1nnnn1-c1ccccc1)N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000103238643 KJ Annotated Reactive Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc(Br)cc3)n2-c2ccccc2)s1 ZINC000103238660 KJ Annotated Reactive C#Cc1ccc(-c2cn(-c3ccc(-c4cnc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)[nH]4)cc3)nn2)cc1 ZINC000103241667 KJ Annotated Mild COC(=O)[C@H]1C(=O)C=C(Nc2ccc(I)cc2I)C[C@H]1c1ccccc1 ZINC000103245169 KJ Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(I)cc2I)C[C@H]1c1ccccc1 ZINC000103245173 KJ Annotated Mild COC(=O)[C@H]1C(=O)C=C(Nc2ccc(I)cc2I)C[C@@H]1c1ccccc1 ZINC000103245176 KJ Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(I)cc2I)C[C@@H]1c1ccccc1 ZINC000103245178 KJ Annotated Mild Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)NC(=O)Nc1nc2c(Br)cccc2s1 ZINC000103246334 KJ Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3nc(N4CCC(C)(C(=O)O)CC4)ns3)cc(-c3ccccn3)c2s1 ZINC000103248758 KJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C(=O)OC(C)(C)C)c(Cl)c1 ZINC000103250478 KJ Annotated Anodyne O=C(NC1CC1)c1cc2c(s1)-c1ccccc1N(C(=O)N1CCC(NC(=O)c3cccnc3N3CCCC3)CC1)CC2 ZINC000103251145 KJ Annotated Anodyne CO[C@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](OC)CN7)cc6[nH]5)cc4)[nH]c3c2)NC1 ZINC000103251435 KJ Annotated Anodyne CN(C)CCCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F ZINC000103252909 KJ Annotated Anodyne Cc1cc(OCc2cn(CC(=O)Nc3ccc(NS(C)(=O)=O)c(Oc4ccccc4)c3)nn2)ccc1Cl ZINC000103253818 KJ Annotated Anodyne Nc1cc2c(=O)c(C(=O)OCc3ccc(Cl)cc3)cn(Cc3ccc(Cl)cc3)c2cc1N1CCNCC1 ZINC000103255742 KJ Annotated Anodyne O=C(NCc1cn(Cc2ccccc2)nn1)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1 ZINC000103256579 KJ Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ncccn4)ccc3C)cn12 ZINC000103256657 KJ Annotated Anodyne CCCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c2)c2c1CC(C)(C)CC2 ZINC000103258609 KJ Annotated Anodyne CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000103259054 KJ Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4cc(Cl)c(Cl)cc4Cl)nn3)[C@@H]2CC1 ZINC000103259281 KJ Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccccc2C)C(=O)[C@@]2(C1)[C@H](c1ccccc1C)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000103260881 KJ Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)[C@@]2(C1)[C@H](c1ccccc1F)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000103260888 KJ Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)[C@@]2(C1)[C@H](c1ccc(C)cc1)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000103260894 KJ Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@@]2(C1)[C@H](c1ccc(F)cc1)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000103260900 KJ Annotated Mild Nc1nn(Cc2cn(CC(=O)Nc3cccc(Cl)c3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261130 KJ Annotated Anodyne Nc1nn(Cc2cn(CC(=O)Nc3ccccc3Br)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261141 KJ Annotated Anodyne Nc1nn(Cc2cn(CC(=O)Nc3ccc(F)cc3Br)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261144 KJ Annotated Anodyne O=C(N1CCN(c2ccccn2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000103261513 KJ Annotated Anodyne O=C(N1CCN(c2ccccn2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000103261516 KJ Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(Cc3ccc(S(=O)(=O)O)cc3)S(C)(=O)=O)c(C3CC3)cc12 ZINC000103262399 KJ Annotated Anodyne Cn1cncc1[C@@](C)(O)[C@@]12C[C@@H]1c1cccnc1[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc12 ZINC000103263789 KJ Annotated Anodyne Cn1cncc1[C@](C)(O)[C@@]12C[C@@H]1c1cccnc1[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc12 ZINC000103263791 KJ Annotated Anodyne Cn1cncc1[C@@](C)(O)[C@]12C[C@H]1c1cccnc1[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc12 ZINC000103263793 KJ Annotated Anodyne Cn1cncc1[C@](C)(O)[C@]12C[C@H]1c1cccnc1[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc12 ZINC000103263794 KJ Annotated Anodyne Cn1cncc1C(=O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000103263796 KJ Annotated Mild Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000103263798 KJ Annotated Anodyne Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000103263801 KJ Annotated Anodyne Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)NC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103263815 KJ Annotated Anodyne Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)NC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103263835 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](CC(C(F)(F)F)C(F)(F)F)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265388 KJ Annotated Mild Cn1cncc1C(=O)[C@@]12C[C@@H]1c1cccnc1[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc12 ZINC000103266816 KJ Annotated Anodyne Cn1cncc1C(=O)[C@]12C[C@H]1c1cccnc1[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc12 ZINC000103266818 KJ Annotated Anodyne CN1CCN(c2ccc(-c3ccc4nc5cncc(-c6ccc(N7CCN(C)CC7)cc6)n5c4c3)cc2)CC1 ZINC000103266977 KJ Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C ZINC000103268023 KJ Annotated Anodyne CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@H]3C(C)(C)[C@@]4(O)CC[C@](C)(O)[C@H]4C[C@H]4O[C@@]34C)[C@]2(C)CCC1=O ZINC000103268126 KJ Annotated Anodyne C[C@H]1C(=O)C[C@@H]2[C@@](C)(O)CC[C@]2(O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103268128 KJ Annotated Anodyne CC(C)(C)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@H]1c1ccccc1N1CCNCC1 ZINC000103268309 KJ Annotated Anodyne CC(C)(C)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@@H]1c1ccccc1N1CCNCC1 ZINC000103268310 KJ Annotated Anodyne CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@H]1c1ccccc1N1CCNCC1 ZINC000103268312 KJ Annotated Anodyne CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@@H]1c1ccccc1N1CCNCC1 ZINC000103268313 KJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ncccn2)nc1)C(F)(F)F ZINC000103268860 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1 ZINC000103269515 KJ Annotated Mild Cc1ccc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(F)c(C)cc32)nc1 ZINC000103270419 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccc1F ZINC000103270422 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccc1C ZINC000103270426 KJ Annotated Mild CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccccn1 ZINC000103270429 KJ Annotated Mild CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccncc1 ZINC000103270431 KJ Annotated Mild CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1nccs1 ZINC000103270435 KJ Annotated Mild CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(C)cn1 ZINC000103270440 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccccn1 ZINC000103270456 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1 ZINC000103270458 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccncc1 ZINC000103270460 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1nccs1 ZINC000103270467 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cscn1 ZINC000103270469 KJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cncs1 ZINC000103270472 KJ Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(O)c(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000103270478 KJ Annotated Mild COc1cc(Cc2nnc(Nc3ccc(C(F)(F)F)cc3)s2)c(S(=O)(=O)N2CCCC2)cc1OC ZINC000103271824 KJ Annotated Anodyne CC1=NN(c2ccc(S(=O)(=O)O)cc2C)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271849 KJ Annotated Clean CC1=NN(c2ccc(S(=O)(=O)O)cc2C)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271851 KJ Annotated Clean Nc1ccc(S(=O)(=O)N(CCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccs2)cc1 ZINC000103273228 KJ Annotated Anodyne O=C(O)c1ccc(N/N=C(\c2ccccc2)c2c(-c3ccccc3)nn(-c3ccc(C(=O)O)cc3)c(=O)c2O)cc1 ZINC000103274265 KJ Annotated Mild COc1ccc(-c2cc(-c3ccc(-n4nc5c(c4C)N(C)S(=O)(=O)c4ccccc4-5)cc3)nc(N)n2)c(OC)c1OC ZINC000103274527 KJ Annotated Anodyne COc1cc(-c2cc(-c3ccc(-n4nc5c(c4C)N(C)S(=O)(=O)c4ccccc4-5)cc3)nc(N)n2)cc(OC)c1OC ZINC000103274530 KJ Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3cc(-c4ccc(F)cc4)nc(N)n3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103274618 KJ Annotated Anodyne COc1ccccc1-c1cc(-c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)nc(N)n1 ZINC000103274679 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)c(OC)c1OC ZINC000103274772 KJ Annotated Mild Nc1ccc(S(=O)(=O)N(CCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2ccc(Cl)nn2)cc1 ZINC000103275075 KJ Annotated Anodyne C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@@]2(O)[C@@H]1C[C@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@H](O)O[C@H]5CC[C@]2(C)[C@@]41C ZINC000103275533 KJ Annotated Mild COc1ccc(-c2cc(-c3ccc(-n4nc5c(c4C)N(C)S(=O)(=O)c4ccccc4-5)cc3)nc(N)n2)cc1OC ZINC000103275885 KJ Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)nc(N)n3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103275955 KJ Annotated Bother CCN(CC)[C@H](O)COc1c(Br)c(Br)c(Br)c2c1OC(C)(C)C2 ZINC000103276220 KJ Annotated Anodyne CCN(CC)[C@@H](O)COc1c(Br)c(Br)c(Br)c2c1OC(C)(C)C2 ZINC000103276222 KJ Annotated Anodyne O=C(NC(=S)NS(=O)(=O)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@H]2c2cccs2)cc1)c1ccccc1 ZINC000103276997 KJ Annotated Anodyne O=C(NC(=S)NS(=O)(=O)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@@H]2c2cccs2)cc1)c1ccccc1 ZINC000103277000 KJ Annotated Anodyne O=C(NC(=S)NS(=O)(=O)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@H]2c2cccs2)cc1)c1ccccc1 ZINC000103277001 KJ Annotated Anodyne O=C(NC(=S)NS(=O)(=O)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@@H]2c2cccs2)cc1)c1ccccc1 ZINC000103277003 KJ Annotated Anodyne CC1(C)Cc2c(Br)c(Br)c(Br)c(OC[C@H](O)N3CCCCC3)c2O1 ZINC000103277494 KJ Annotated Anodyne CC1(C)Cc2c(Br)c(Br)c(Br)c(OC[C@@H](O)N3CCCCC3)c2O1 ZINC000103277496 KJ Annotated Anodyne CC1(C)Cc2c(Br)c(Br)c(Br)c(OC[C@H](O)N3CCN(c4ccccn4)CC3)c2O1 ZINC000103277553 KJ Annotated Anodyne CC1(C)Cc2c(Br)c(Br)c(Br)c(OC[C@@H](O)N3CCN(c4ccccn4)CC3)c2O1 ZINC000103277555 KJ Annotated Anodyne CC(C)(C)N[C@@H](O)COc1c(Br)c(Br)c(Br)c2c1OC(C)(C)C2 ZINC000103277565 KJ Annotated Anodyne CC(C)(C)N[C@H](O)COc1c(Br)c(Br)c(Br)c2c1OC(C)(C)C2 ZINC000103277567 KJ Annotated Anodyne O=S(=O)(Nc1ncccn1)c1ccc(NCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103279164 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(NCCN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)nn1 ZINC000103279172 KJ Annotated Anodyne O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2c(F)cccc2F)CC1 ZINC000103279485 KJ Annotated Anodyne Cc1ccc(COc2nn(CN3CCOCC3)c(=S)n2/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000103280209 KJ Annotated Mild Cc1ccccc1COc1nn(CN2CCOCC2)c(=S)n1/N=C/c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000103280216 KJ Annotated Mild O=C(NC[C@@H]1COc2cnccc21)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000103281262 KJ Annotated Anodyne O=C(NC[C@H]1COc2cnccc21)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000103281265 KJ Annotated Anodyne CC(=O)c1nn(-c2ccc(Cl)cc2)/c(=N/c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)cs2)s1 ZINC000103281714 KJ Annotated Anodyne CC(=O)c1nn(-c2ccc(C)cc2)/c(=N/c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)cs2)s1 ZINC000103281718 KJ Annotated Anodyne CCOC(=O)c1nn(-c2ccc(Cl)cc2)/c(=N/c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)cs2)s1 ZINC000103281727 KJ Annotated Anodyne CCOC(=O)c1nn(-c2ccc(C)cc2)/c(=N/c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)cs2)s1 ZINC000103281730 KJ Annotated Anodyne CCCCCC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)CC[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000103286740 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](CO)C[C@@H](C)CC[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000103286744 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000103288383 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000103288387 KJ Annotated Anodyne COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C2=NC(=S)N[C@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000103289781 KJ Annotated Mild COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C2=NC(=S)N[C@@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000103289784 KJ Annotated Mild O=c1c(-c2nnc(COc3ccc4ccccc4c3)o2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 ZINC000103289869 KJ Annotated Anodyne O=c1c(-c2nnc(COc3cccc4ccccc34)o2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 ZINC000103289872 KJ Annotated Anodyne COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](C(=O)OCC(C)(C)C)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000103290665 KJ Annotated Anodyne COC(=O)N(OC)c1ccccc1Cn1c(C)nn(-c2cc(NS(=O)(=O)c3ccccc3)c(Cl)cc2Cl)c1=O ZINC000103290800 KJ Annotated Anodyne COc1ccc(OC)c(-c2c(C#N)c(O)n(/N=C(\C)c3cc4c(ccc5ccccc54)oc3=O)c(=O)c2C#N)c1 ZINC000103291503 KJ Annotated Mild COC(=O)[C@H](C(=O)Oc1ccccc1)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000103292002 KJ Annotated Anodyne COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](C(=O)Oc2ccccc2)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000103292004 KJ Annotated Anodyne CCOC(=O)[C@@H](C(=O)OC)[C@H]1C(C)(C)[C@H](C(=O)OCC)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000103292007 KJ Annotated Anodyne COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](C(=O)OCC(C)C)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000103292060 KJ Annotated Anodyne CC(=O)c1cccc(N2C(=O)[C@H](CC(C)C)N(C[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OCc3ccccc3)C2=O)c1 ZINC000103292098 KJ Annotated Anodyne CCN1CCN(Cc2cc(N[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@]3(C)Br)[C@]64OO5)ccc2O)CC1 ZINC000103292655 KJ Annotated Reactive CCN1CCN(Cc2cc(N[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@]3(C)Br)[C@]64OO5)ccc2O)CC1 ZINC000103292658 KJ Annotated Reactive COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](C(=O)Oc2ccccc2)[C@@H]2C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000103293212 KJ Annotated Anodyne CO/N=C(/C1=NOCCO1)c1ccccc1CO/N=C(\OC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103293656 KJ Annotated Mild Cc1c2c(nn1-c1ccc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103296882 KJ Annotated Mild COc1cc2c(cc1OCCCCN1CCN(C(=O)c3nc(-c4ccccc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000103298983 KJ Annotated Anodyne COc1ccc(-c2nc(C(=O)N3CCN(CCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)CC3)c3ccccn23)cc1 ZINC000103298992 KJ Annotated Anodyne C[C@]12CCSSC[C@]3(CCCC4=C5[C@H]6CC[C@@H](C[C@H]61)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000103525207 KJ Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@H](N=C(N)N)CC[C@H]3CSSC[C@@H](CCO)[C@@H]4CC[C@@H]1CC1=C3C(=O)C[C@@]142 ZINC000103525220 KJ Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@H](N=C(N)N)CC[C@H]3CSSCC[C@@H]4[C@@H](CO)C[C@@H]1CC1=C3C(=O)C[C@@]142 ZINC000103525231 KJ Annotated Reactive in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/C[C@@H]1NCC ZINC000103525562 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]2(C)O)[C@@H]1O)[C@H](CC=C(C)C)NCC ZINC000103525699 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C=O)[C@H](CCCO)C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000103525723 KJ Annotated Reactive in-vitro biogenic C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@H]32)OC1=O ZINC000103526876 KJ Annotated Mild in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCCC[C@]2(Cc4cccc(C(N)N)c4)O[C@@]24CCCC[C@H]3[C@H]1OC4=O ZINC000103527869 KJ Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@@H](c3ccc4c(c3)=C[CH+]N=4)C2)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)C2CCCC2)O3)O1 ZINC000103528628 KJ Annotated Mild in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@H](c3ccc(O)cc3)C2)c2c(cc3c(c2OC)C[C@@H]([C@](C)(O)C2CCNCC2)O3)O1 ZINC000103528691 KJ Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@H](c3ccc(O)cc3)C2)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)CCCCO)O3)O1 ZINC000103528730 KJ Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@H](c3ccc(O)cc3)C2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000103528736 KJ Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@H](Cc3ccccc3)C2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000103528787 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@H]([C@@]3(c4ccc(O)c(O)c4)CCCC[C@H]3O)CC#C[C@H]2Cc2ccccc2)c(CO)cc1O ZINC000103531149 KJ Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(Cc4cccc5c4C=CN[C@H]5N)C3=C2)c1 ZINC000103532144 KJ Annotated Anodyne in-vitro biogenic CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O ZINC000103540130 KJ Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](Oc4cnccc4C=O)[C@H]3[C@H]1OC(C)=O)C2(C)C ZINC000103541338 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@]12C[C@]3(CC[C@H]4[C@H](/C=C(\C)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(=O)Cc1ccccc1)C4(C)C)CO3 ZINC000103541348 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21O ZINC000103541639 KJ Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000103549759 KJ Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]1OC(=O)c1cccnc1)C2(C)C ZINC000103560481 KJ Annotated Mild in-vitro biogenic C[C@H]1[C@H](O)CC[C@H]2C[C@H]([C@H]3CCCCCC[C@@](O)(CC(=O)O)CN[C@]4(C)CCN[C@@H](Cc5cccc(c5)C3)C4)C=CN21 ZINC000103572693 KJ Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc2c1[C@H]1C=C[C@H]2C#C[C@@H]2[C@@]3(C[C@@H]4CC[C@@H](CO)[C@@]2(N)[C@@H]4C(C)(C)O3)[C@@H]2CCC[C@H]1C2 ZINC000103574070 KJ Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@]12CC[C@@]34/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)CC/C=C(\C)CNCC ZINC000103574589 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CC/C=C(\C)CNCC ZINC000103574691 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COC[C@H](O)CO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C ZINC000103574704 KJ Annotated Reactive in-vitro biogenic C[C@]12CC[C@H]3CC[C@@]45C[C@H](O)[C@@](CO)(CC1)[C@@]3(C2)C4=CC(=O)[C@@H]1[C@]23CCCC[C@@]15CC[C@@H]2[C@](C)([C@H](O)CO)[C@@H](O)CC3 ZINC000103575590 KJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000103578774 KJ Annotated Mild in-vitro biogenic C[C@H]1/C(=C\OC(=O)CCN(C)C)CC[C@H]2[C@H]1C(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]21C ZINC000103579125 KJ Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@H](O)C[C@H](O)[C@H](O)[C@H](C)O)co1 ZINC000103625041 KJ Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@H](O)C[C@H](O)[C@H](O)[C@H](C)O)co1 ZINC000103625045 KJ Annotated Mild CC(C)CCCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@H](O)C[C@H](O)[C@H](O)[C@H](C)O)co1 ZINC000103625167 KJ Annotated Anodyne CC(C)CCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@H](O)C[C@H](O)[C@H](O)[C@H](C)O)co1 ZINC000103625169 KJ Annotated Anodyne C=C[C@@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@H]3c4ccc(OC)cc4N[C@H]3[C@H]3C[C@H]1[C@H]2CO3 ZINC000103675153 KJ Annotated Mild C=C[C@@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@@H]3c4ccc(OC)cc4N[C@H]3[C@H]3C[C@H]1[C@H]2CO3 ZINC000103675158 KJ Annotated Mild O=C(NCc1ccc(C(F)(F)F)cc1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000103765519 KJ Annotated Bother aggregator O=C(NCc1ccccc1C(F)(F)F)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000103765902 KJ Annotated Bother C[C@H]1CCCCN1C(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(NC(=O)c2cccs2)c1 ZINC000103879519 KJ Annotated Anodyne Cc1cc(O)c(C(=O)c2c(C)c(O)cc(-c3cc(O)c(C)c(C(=O)c4c(O)cc(C)cc4O)c3O)c2O)c(O)c1 ZINC000103884712 KJ Annotated Anodyne C/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@@]42CCN([C@H]6[C@H]2OC2(C)C)[C@H]13 ZINC000103885108 KJ Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@]2(C)C=CC(=O)[C@@H](CC[C@@]3(O)C(=O)C=C[C@@]4(C)CC[C@@H](C(=C)C(=O)O)C[C@@H]34)[C@@H]2C1 ZINC000103885351 KJ Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@]2(C)C=CC(=O)[C@@H](CC[C@]3(O)C(=O)C=C[C@@]4(C)CC[C@@H](C(=C)C(=O)O)C[C@H]43)[C@@H]2C1 ZINC000103885354 KJ Annotated Anodyne C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)N=C(O)[C@]23C(=O)/C=C/C(=O)[C@@H]1O ZINC000103885833 KJ Annotated Anodyne COc1cc(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2ccc(Cl)c(C)c2)cc(OC)c1OC ZINC000103934198 KJ Annotated Anodyne COc1cc(OC)c(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2ccccc2OC)cc1Cl ZINC000103939650 KJ Annotated Anodyne CO[C@H]1C(=O)/C2=C(/O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@@]2(C)[C@H]1O ZINC000103941133 KJ Annotated Mild CO[C@H]1C(=O)/C2=C(/O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@H]1O ZINC000103941141 KJ Annotated Mild CO[C@H]1C(=O)/C2=C(/O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@@]2(C)[C@H]1O ZINC000103941148 KJ Annotated Mild CO[C@H]1C(=O)/C2=C(/O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@H]1O ZINC000103941154 KJ Annotated Mild COc1ccc(CN(CCCN2CCOCC2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)cc1OC ZINC000103945458 KJ Annotated Anodyne COc1ccc(CN(CCCN2CCOCC2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000103945464 KJ Annotated Anodyne C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000103946532 KJ Annotated Anodyne C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC[C@@H]4C(O)(c4ccccc4)c4ccccc4)[C@H]3[C@H](O)[C@@]21C ZINC000103946543 KJ Annotated Anodyne C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H]4C(O)(c4ccccc4)c4ccccc4)[C@H]3[C@H](O)[C@@]21C ZINC000103946547 KJ Annotated Anodyne CC(C)(C)c1cc(C([P@](=O)(O)CN2CCCC2=O)[P@](=O)(O)CN2CCCC2=O)cc(C(C)(C)C)c1O ZINC000103948849 KJ Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)Nc2cc(-c3ccc(OC)cc3)nn2C(N)=C1C#N ZINC000103950454 KJ Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)Nc2cc(-c3ccc(OC)cc3)nn2C(N)=C1C#N ZINC000103950457 KJ Annotated Reactive CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000103950737 KJ Annotated Reactive CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000103950740 KJ Annotated Reactive COc1ccc(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000103951624 KJ Annotated Mild O/C(CSc1nc2nncc-2c(O)n1-c1cccc(C(F)(F)F)c1)=N\c1ccc2c(c1)OCCO2 ZINC000103951760 KJ Annotated Mild CC(=O)c1cc2c(cc1/N=C(\O)CSc1nc3nncc-3c(O)n1-c1cccc(C(F)(F)F)c1)OCO2 ZINC000103952036 KJ Annotated Mild O=C(CNCc1ccccc1Cl)CSc1nc2nncc-2c(O)n1-c1cccc(C(F)(F)F)c1 ZINC000103965077 KJ Annotated Anodyne COc1ccc(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2ccc(Br)cc2)c(OC)c1 ZINC000103970855 KJ Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1=CNN2C1=N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000104013264 KJ Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1=CNN2C1=N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000104013270 KJ Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1=CNN2C1=N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000104013275 KJ Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1=CNN2C1=N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000104013281 KJ Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1=CNN2C1=N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000104013292 KJ Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000104013298 KJ Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1=CNN2C1=N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000104013304 KJ Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000104013308 KJ Annotated Anodyne CCOC(=O)c1sc(NC(=O)C2=CC3=N[C@H](c4ccccc4)C[C@H](C(F)(F)F)N3N2)c(C(=O)OCC)c1C ZINC000104032829 KJ Annotated Anodyne CCOC(=O)c1sc(NC(=O)C2=CC3=N[C@@H](c4ccccc4)C[C@H](C(F)(F)F)N3N2)c(C(=O)OCC)c1C ZINC000104032837 KJ Annotated Anodyne CCOC(=O)c1sc(NC(=O)C2=CC3=N[C@H](c4ccccc4)C[C@@H](C(F)(F)F)N3N2)c(C(=O)OCC)c1C ZINC000104032840 KJ Annotated Anodyne CCOC(=O)c1sc(NC(=O)C2=CC3=N[C@@H](c4ccccc4)C[C@@H](C(F)(F)F)N3N2)c(C(=O)OCC)c1C ZINC000104032847 KJ Annotated Anodyne CCOC(=O)c1sc(NC(=O)C2=CC3=N[C@H](c4cccs4)C[C@H](C(F)(F)F)N3N2)c(C(=O)OCC)c1C ZINC000104032882 KJ Annotated Anodyne CCOC(=O)c1sc(NC(=O)C2=CC3=N[C@@H](c4cccs4)C[C@H](C(F)(F)F)N3N2)c(C(=O)OCC)c1C ZINC000104032887 KJ Annotated Anodyne CCOC(=O)c1sc(NC(=O)C2=CC3=N[C@H](c4cccs4)C[C@@H](C(F)(F)F)N3N2)c(C(=O)OCC)c1C ZINC000104032893 KJ Annotated Anodyne CCOC(=O)c1sc(NC(=O)C2=CC3=N[C@@H](c4cccs4)C[C@@H](C(F)(F)F)N3N2)c(C(=O)OCC)c1C ZINC000104032899 KJ Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000104159721 KJ Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@@H]2N2C(=O)CN(CCc3c[nH]c4ccccc34)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000104174898 KJ Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4cccc(Br)c4)C(=O)N23)c1 ZINC000104263374 KJ Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104321684 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCCN2CCCC2=O)cc1OCc1ccccc1 ZINC000104323257 KJ Annotated Bother COCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104326434 KJ Annotated Bother CCOc1ccccc1-c1onc(-c2ccc(OC)c(OCc3ccccc3)c2)c1C(=O)NCCOCCO ZINC000104326448 KJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCOCCO)cc1 ZINC000104326478 KJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCOCCO)c1 ZINC000104326925 KJ Annotated Anodyne COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCOCCO)cc1OCc1ccccc1 ZINC000104326930 KJ Annotated Bother C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104332601 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104332607 KJ Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104332612 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104332618 KJ Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104337263 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104337266 KJ Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104337269 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104337272 KJ Annotated Mild Cc1cccc2c1NC(=O)[C@H](Cc1ccc(O)cc1)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000104342770 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](Cc1ccc(O)cc1)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000104342773 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](Cc1ccc(O)cc1)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000104342777 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](Cc1ccc(O)cc1)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000104342784 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000104343104 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CC(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000104343110 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000104343115 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CC(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000104343120 KJ Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104343407 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104343413 KJ Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104343417 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104343422 KJ Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104343467 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104343474 KJ Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104343480 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104343483 KJ Annotated Mild Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000104345138 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CSCc1ccccc1)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000104345142 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000104345146 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CSCc1ccccc1)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000104345150 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)C2=O ZINC000104345264 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CSCc1ccccc1)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)C2=O ZINC000104345268 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)C2=O ZINC000104345273 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CSCc1ccccc1)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)C2=O ZINC000104345277 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104346295 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104346298 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104346301 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2CCCCN)cc1 ZINC000104349840 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2CCCCN)cc1 ZINC000104349847 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2CCCCN)cc1 ZINC000104349851 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2CCCCN)cc1 ZINC000104349855 KJ Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104350034 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104350038 KJ Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104350044 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104350050 KJ Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104350076 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104350082 KJ Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000104350087 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000104350093 KJ Annotated Mild CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350254 KJ Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350259 KJ Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350266 KJ Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350274 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350303 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)[C@@H]1CSCc1ccccc1 ZINC000104350311 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350316 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350321 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C2CCCCC2)[C@@H]1CSCc1ccccc1 ZINC000104350349 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C1CCCCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350353 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C2CCCCC2)[C@@H]1CSCc1ccccc1 ZINC000104350359 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C2CCCCC2)[C@H]1CSCc1ccccc1 ZINC000104350364 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](CCc1ccccc1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350377 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@H](CCc2ccccc2)C(=O)NCCN2CCOCC2)[C@@H]1CSCc1ccccc1 ZINC000104350382 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](CCc1ccccc1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350387 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H](CCc1ccccc1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350391 KJ Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCSC ZINC000104350621 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCSC ZINC000104350629 KJ Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCSC ZINC000104350632 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCSC ZINC000104350638 KJ Annotated Mild C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1)CC(C)(C)C ZINC000104351797 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1)CC(C)(C)C ZINC000104351800 KJ Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1)CC(C)(C)C ZINC000104351805 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1)CC(C)(C)C ZINC000104351809 KJ Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1)c1ccccc1 ZINC000104351932 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1)c1ccccc1 ZINC000104351936 KJ Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1)c1ccccc1 ZINC000104351940 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1)c1ccccc1 ZINC000104351945 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104352115 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104352117 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104352122 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104352125 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000104352186 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000104352191 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000104352195 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000104352199 KJ Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104352376 KJ Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104352383 KJ Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104352391 KJ Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104352398 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)[C@H]2CC=CCC2)[C@@H]1CSCc1ccccc1 ZINC000104352403 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]([C@H]1CC=CCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104352407 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)[C@H]2CC=CCC2)[C@@H]1CSCc1ccccc1 ZINC000104352412 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)[C@H]2CC=CCC2)[C@H]1CSCc1ccccc1 ZINC000104352416 KJ Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104352439 KJ Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104352445 KJ Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104352451 KJ Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104352459 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104352464 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104352467 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104352473 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104352479 KJ Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104353578 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104353582 KJ Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104353585 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104353589 KJ Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104353622 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104353628 KJ Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104353633 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104353638 KJ Annotated Mild CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104353714 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104353719 KJ Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104353723 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104353726 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104354874 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104354881 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104354888 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104354892 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000104354971 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000104354976 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000104354981 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000104354986 KJ Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104355013 KJ Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104355020 KJ Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104355026 KJ Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104355030 KJ Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1)c1ccccc1 ZINC000104355128 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1)c1ccccc1 ZINC000104355134 KJ Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1)c1ccccc1 ZINC000104355140 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1)c1ccccc1 ZINC000104355146 KJ Annotated Anodyne CC(C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104355256 KJ Annotated Anodyne CC(C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104355261 KJ Annotated Anodyne CC(C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104355266 KJ Annotated Anodyne CC(C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000104355271 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104356951 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104356957 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104356960 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104356965 KJ Annotated Anodyne C/C1=C/[C@H](C)C/C=C/[C@@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@H]3[C@@H]([C@@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1=O ZINC000104356969 KJ Annotated Mild in-man C/C1=C/[C@@H](C)C/C=C/[C@@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@H]3[C@@H]([C@@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1=O ZINC000104356976 KJ Annotated Mild in-man C/C1=C/[C@H](C)C/C=C/[C@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@H]3[C@@H]([C@@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1=O ZINC000104356978 KJ Annotated Mild in-man C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@H]3[C@@H]([C@@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1=O ZINC000104356983 KJ Annotated Mild in-man CSCC[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000104357355 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104357362 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000104357367 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104357370 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104359039 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104359046 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104359048 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104359054 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104359425 KJ Annotated Anodyne CSCC[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104359431 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104359435 KJ Annotated Anodyne CSCC[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104359439 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104360531 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104360535 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104360539 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104360545 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104360862 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104360867 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104360871 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104362047 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104362052 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104362057 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104362062 KJ Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccccc1)CC(C)(C)C ZINC000104362093 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccccc1)CC(C)(C)C ZINC000104362098 KJ Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccccc1)CC(C)(C)C ZINC000104362102 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccccc1)CC(C)(C)C ZINC000104362108 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104363694 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104363698 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104363701 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104363706 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000104364076 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104364081 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000104364084 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104364088 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104365512 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104365517 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104365520 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104365526 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104365928 KJ Annotated Anodyne CSCC[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104365933 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104365939 KJ Annotated Anodyne CSCC[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104365943 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104367074 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104367079 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104367083 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104367417 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104367421 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104367424 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104367426 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C(c1ccccc1)c1ccccc1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104368348 KJ Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1Cc1ccccc1 ZINC000104368351 KJ Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000104368354 KJ Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1Cc1ccccc1 ZINC000104368356 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000104369630 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000104369634 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000104369638 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000104369641 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CC(C)C)C(=O)N2 ZINC000104369848 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CC(C)C)C(=O)N2 ZINC000104369853 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CC(C)C)C(=O)N2 ZINC000104369856 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104370068 KJ Annotated Anodyne CSCC[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104370071 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104370072 KJ Annotated Anodyne CSCC[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104370076 KJ Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104371291 KJ Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104371297 KJ Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104371299 KJ Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104371302 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104372249 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104372252 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104372255 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](C(C)C)C(=O)N2 ZINC000104372508 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](C(C)C)C(=O)N2 ZINC000104372512 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](C(C)C)C(=O)N2 ZINC000104372516 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104373291 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104373293 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104373297 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000104373318 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000104373320 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000104373322 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000104373324 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000104373359 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000104373365 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000104373369 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000104373371 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000104374315 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000104374319 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000104374321 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000104374325 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CC(C)C)C(=O)N2 ZINC000104374512 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CC(C)C)C(=O)N2 ZINC000104374515 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CC(C)C)C(=O)N2 ZINC000104374520 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CC(C)C)C(=O)N2 ZINC000104374524 KJ Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104374681 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104374683 KJ Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104374687 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104374691 KJ Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104374712 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104374716 KJ Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104374719 KJ Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104374722 KJ Annotated Mild Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000104376155 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000104376159 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000104376162 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000104376168 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000104376289 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000104376295 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000104376299 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000104376303 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104377291 KJ Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104377296 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104377303 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000104378536 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000104378538 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000104378541 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000104378545 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1[C@H](C)CC ZINC000104379752 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104379757 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1[C@H](C)CC ZINC000104379761 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104379765 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104379782 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104379783 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104379787 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104379791 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104379810 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104379814 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104379816 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104379819 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104379849 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104379854 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104379857 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104379860 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104379883 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104379888 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104379892 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104379895 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CC(C)C ZINC000104380077 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CC(C)C ZINC000104380083 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CC(C)C ZINC000104380087 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CC(C)C ZINC000104380092 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000104380109 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000104380114 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000104380120 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000104380125 KJ Annotated Mild CCOc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000104380130 KJ Annotated Mild CCOc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000104380132 KJ Annotated Mild CCOc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000104380136 KJ Annotated Mild CCOc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000104380141 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CCSC ZINC000104380452 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CCSC ZINC000104380455 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CCSC ZINC000104380459 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CCSC ZINC000104380464 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000104381348 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000104381350 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000104381353 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104381358 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104381401 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104381405 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104381408 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104381413 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381433 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381439 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381442 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381445 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104381556 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104381561 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104381566 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104381572 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCCCN ZINC000104381680 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCCCN ZINC000104381684 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCCCN ZINC000104381686 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCCCN ZINC000104381690 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000104381783 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000104381788 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000104381793 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000104381798 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000104381835 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000104381839 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000104381841 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000104381844 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000104381881 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000104381885 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000104381888 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000104381892 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000104381908 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000104381910 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000104381914 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000104381920 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000104381969 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000104381973 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000104381976 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000104381980 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CCSC ZINC000104382042 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CCSC ZINC000104382045 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CCSC ZINC000104382050 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CCSC ZINC000104382053 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CCSC ZINC000104382058 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CCSC ZINC000104382061 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CCSC ZINC000104382064 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CCSC ZINC000104382069 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104382769 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104382773 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104382774 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104382777 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000104382793 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000104382796 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104382799 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104382802 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382818 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382822 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382826 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382830 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382905 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382907 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382911 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382915 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382984 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382988 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382992 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382996 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000104383142 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000104383146 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000104383149 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000104383153 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000104383180 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000104383183 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000104383186 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000104383189 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000104383216 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000104383219 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000104383222 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000104383224 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000104383287 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000104383290 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000104383293 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000104383296 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000104383308 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000104383314 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000104383318 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000104383323 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CCSC ZINC000104383353 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CCSC ZINC000104383358 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CCSC ZINC000104383361 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CCSC ZINC000104383364 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CCSC ZINC000104383373 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CCSC ZINC000104383375 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CCSC ZINC000104383380 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CCSC ZINC000104383385 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCSC ZINC000104383421 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCSC ZINC000104383428 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCSC ZINC000104383433 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCSC ZINC000104383435 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCSC ZINC000104383440 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCSC ZINC000104383443 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCSC ZINC000104383447 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCSC ZINC000104383451 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCSC ZINC000104383509 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCSC ZINC000104383512 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCSC ZINC000104383516 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCSC ZINC000104383520 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000104384377 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104384379 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000104384383 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104384388 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104384392 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104384396 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104384399 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104384403 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104385861 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104385863 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104385866 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104385871 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104385910 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104385914 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104385918 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104385921 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104385925 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104385927 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104385931 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104385936 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104385943 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104385949 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104385955 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104385957 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104385962 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104385964 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104385968 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104385972 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104387910 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104387915 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104387919 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104387923 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104387931 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104387934 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104387939 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104387944 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104388856 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104388860 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104389716 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104389721 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104390099 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104390102 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104390105 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104390109 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104390113 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104390117 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104390120 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104390124 KJ Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104391192 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104391194 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104391197 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104391200 KJ Annotated Mild COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104391980 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104391984 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104391989 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104391995 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104392043 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104392047 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392083 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392087 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392285 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392289 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104392488 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104392491 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104392493 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104392497 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392501 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392503 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392505 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392510 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104393604 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104393607 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104393611 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104394817 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104394820 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104394824 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104394828 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104395211 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104395215 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104395217 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104395219 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104395223 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104395228 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104395230 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104395233 KJ Annotated Anodyne CCc1ccc(NC(=O)Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000104396097 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104396483 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104396486 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104396489 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104396492 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104396579 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104396581 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104396585 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104396588 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104397434 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104397436 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104397440 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104397442 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104397830 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104397833 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104397836 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104397840 KJ Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104398721 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104398723 KJ Annotated Anodyne Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104398839 KJ Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104398841 KJ Annotated Mild Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000104398858 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000104398861 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104399406 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104399407 KJ Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104399418 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104399420 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104399702 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104399704 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104399707 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104399709 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104399715 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104399719 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104399724 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104399728 KJ Annotated Anodyne C/N=C(\S)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104400253 KJ Annotated Mild C/N=C(\S)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104400256 KJ Annotated Mild Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104400531 KJ Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104400534 KJ Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104400538 KJ Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104400542 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104401106 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104401111 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104401115 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104401118 KJ Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000104401132 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000104401134 KJ Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000104401137 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000104401139 KJ Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000104401161 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000104401164 KJ Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104401197 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104401199 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104401311 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104401314 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104401422 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104401425 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104401427 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104401431 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104402695 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104402697 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104402700 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104402702 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104402716 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104402718 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104402721 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104402724 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104405672 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104405675 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104405678 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104405681 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104405895 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104405898 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104405901 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104405906 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104407911 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104407914 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104410518 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104410522 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104410526 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104410528 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104410846 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104410854 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104410859 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104410864 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104410910 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104410916 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104410920 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104410925 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104410931 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104410937 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104410942 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104410947 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104410953 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104410958 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104410963 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104410968 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104410974 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104410979 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104410985 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104410991 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104416359 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104416361 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104416455 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104416460 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417303 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417307 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417310 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417315 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417318 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417322 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104417454 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104417459 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104417463 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104417467 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417480 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417484 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104417609 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104417612 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104417615 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104417618 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104417670 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104417676 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104417680 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104417684 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417691 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417694 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417698 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417703 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417707 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417712 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417717 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417720 KJ Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418436 KJ Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418439 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104418570 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104418573 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104418576 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104418580 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104418663 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104418668 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104418669 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104418674 KJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419459 KJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419464 KJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419469 KJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419475 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419842 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419848 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419856 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419861 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104419868 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104419873 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104420061 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104420065 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104420069 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104420073 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104420224 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104420230 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104420233 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104420240 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104421263 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104421269 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104421274 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104421278 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421391 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421395 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421400 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421403 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423055 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423061 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423067 KJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423100 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423106 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423112 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104423144 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104423148 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104423155 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104423159 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423405 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423410 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423415 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423420 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104423680 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104423685 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104423690 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104423692 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104423750 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104423754 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104423760 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104423764 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104423769 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104423772 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104423776 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104423778 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104423782 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104423787 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104423791 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104423795 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104423802 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104423805 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104423811 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104423815 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427571 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427575 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427580 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104427859 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104427863 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104427867 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104427871 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104428010 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104428016 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104428021 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104428027 KJ Annotated Anodyne C/N=C(\S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104429156 KJ Annotated Mild C/N=C(\S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104429160 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429251 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429255 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429258 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429262 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429370 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429375 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429379 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429385 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429457 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429463 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1 ZINC000104429634 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1 ZINC000104429636 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000104430358 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000104430365 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430565 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430571 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430603 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430610 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430617 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430622 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430632 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430637 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104430644 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104430650 KJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430659 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430664 KJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430670 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430675 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104430807 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104430811 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104430816 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104430821 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104430837 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104430843 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104430853 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104430858 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104430864 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104430868 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104430924 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104430928 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104430932 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104430936 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431928 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431934 KJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431940 KJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431945 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432039 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432044 KJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432050 KJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432057 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432916 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432919 KJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432925 KJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432931 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433111 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433117 KJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433122 KJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433128 KJ Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433135 KJ Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433139 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104433217 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104433221 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104433225 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104433230 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104433528 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104433535 KJ Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104433639 KJ Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104433645 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000104437931 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000104437935 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000104437940 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000104437944 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104437950 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104437953 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104438057 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104438062 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104439417 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104439422 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104439493 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104439497 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104439502 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104439506 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104442471 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104442478 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446198 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446202 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446206 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446209 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104446228 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104446233 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104446241 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104446245 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104446253 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104446257 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446311 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446316 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446321 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446325 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104446343 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104446348 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447204 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447424 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447428 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104447432 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104447435 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104447438 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104447441 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104447444 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104447447 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447507 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447510 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447514 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447520 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104447542 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104447546 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104447550 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104447554 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104448038 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104448043 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104448050 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104448053 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104448106 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104448110 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000104448221 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000104448226 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000104448229 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000104448235 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000104448360 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000104448364 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000104448369 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000104448371 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000104448890 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000104448895 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000104448897 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000104448902 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000104448966 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000104448969 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000104448973 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000104448974 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448986 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448989 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448992 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448995 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449520 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449524 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104449529 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104449534 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449633 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449638 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104449641 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104449645 KJ Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104449709 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104449713 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449736 KJ Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449738 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449741 KJ Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449746 KJ Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449750 KJ Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449754 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104449762 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104449766 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104449773 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104449777 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104449782 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104449786 KJ Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449819 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449825 KJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104449902 KJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104449906 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450441 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450445 KJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450448 KJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450450 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104450516 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104450519 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450535 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450537 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450541 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450544 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450546 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450548 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104450551 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104450553 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104450556 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104450558 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104450560 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104450562 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450565 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450567 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104450624 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104450626 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450805 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450807 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104451609 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104451613 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104451665 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104451668 KJ Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104451769 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104451773 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104451775 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104451779 KJ Annotated Mild COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104451822 KJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104451824 KJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104452404 KJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104452405 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104452479 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104452482 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452535 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452539 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104452552 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104452555 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452644 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452648 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104452652 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104452655 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453150 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453155 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453159 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453164 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453279 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453281 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453284 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453287 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104453290 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104453293 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104453296 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104453298 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453387 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453391 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453395 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453399 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453468 KJ Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453471 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453474 KJ Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453476 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104453495 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104453498 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104453502 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104453506 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104453510 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104453515 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104453519 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104453523 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453611 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453614 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453617 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453621 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454450 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454454 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454456 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454460 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104454512 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104454516 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104454520 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104454524 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454574 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454577 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454582 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454587 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104454611 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104454613 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104454617 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104454620 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104454708 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104454711 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104454712 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104454717 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454739 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454743 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454747 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454751 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454929 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454934 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454938 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454942 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104454948 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104454951 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104454954 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104454959 KJ Annotated Anodyne C/N=C(\S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104455981 KJ Annotated Mild C/N=C(\S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104455984 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456100 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456105 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456109 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456114 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456211 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456216 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456218 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456221 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104457089 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104457095 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104457100 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104457104 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104457316 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104457320 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104457323 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104457326 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104457427 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104457430 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104457434 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104457437 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104457918 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104457921 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104457925 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104457928 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104457978 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104457980 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104458001 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104458005 KJ Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104458028 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104458033 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104458041 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104458045 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104459003 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104459007 KJ Annotated Anodyne C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104459156 KJ Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104459161 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459253 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459257 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459261 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459264 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459951 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459955 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459957 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459962 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459968 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459973 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459978 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459985 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459990 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459993 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000104466797 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000104466799 KJ Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000104476128 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000104476133 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000104476139 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000104476143 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104476642 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104476648 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104476653 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104476660 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104476712 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104476717 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104476721 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104476727 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104480966 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104480972 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104480978 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104480997 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104481004 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104481010 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104481017 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104481040 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104481046 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104481053 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104481057 KJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104483704 KJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104483711 KJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104483717 KJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104483722 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104483740 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104483746 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104483750 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104483757 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104484261 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104484266 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104484270 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104484274 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104484401 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104484408 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104484415 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104484421 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104486770 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104486776 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104486782 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104486789 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104487193 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104487199 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104487205 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104487212 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c1 ZINC000104489131 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c1 ZINC000104489136 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@H]1C)C2(C)C ZINC000104490038 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@@H]1C)C2(C)C ZINC000104490045 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@H]1C)C2(C)C ZINC000104492289 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@@H]1C)C2(C)C ZINC000104492297 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000104492570 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000104492576 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000104492583 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000104492589 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000104492655 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104493327 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104493335 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104495877 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104495883 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104495887 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104495892 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104495970 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104495977 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104495982 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104495986 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104498033 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104498039 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104498045 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104498052 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104498176 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104498182 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104498187 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104498191 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000104500592 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000104500598 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000104500603 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000104500610 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104500652 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104500656 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104500660 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104500665 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104500670 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104500673 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104500679 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104500684 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500739 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500743 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500748 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500752 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500757 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500760 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500764 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500769 KJ Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500773 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500780 KJ Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500783 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500788 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500876 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500881 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500886 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500892 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104501329 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104501333 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104501340 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104501345 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104501409 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104501413 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104501418 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104501423 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000104503500 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000104503505 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000104503510 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000104503514 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104506280 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104506284 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104506289 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104506295 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000104508254 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000104508260 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000104508263 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000104508267 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104508310 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104508315 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104508320 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104508325 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104511219 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104511223 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104511228 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104511233 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104516749 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104516753 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104516757 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104516762 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000104516765 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000104516768 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000104516772 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000104516776 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000104516781 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000104516786 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000104516792 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000104516796 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104516835 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104516840 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104516844 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104516848 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000104516875 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000104516879 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000104516883 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000104516889 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104517631 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104517638 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104517644 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104517648 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104517662 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104517667 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104517671 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104517674 KJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104519647 KJ Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104519651 KJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104519656 KJ Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104519663 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104520208 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104520215 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104520219 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104520224 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104520233 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104520237 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104520244 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104520252 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104520285 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104520294 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104520300 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104520306 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104520336 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104520342 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104520347 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104520352 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104520382 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104520389 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104520394 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104520400 KJ Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000104522781 KJ Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000104522786 KJ Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000104522789 KJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000104522792 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000104525004 KJ Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000104525007 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000104525011 KJ Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000104525015 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104525080 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104525084 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104525087 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104525093 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104525116 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104525122 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104525126 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104525132 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000104525159 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525278 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525280 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525286 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525290 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104525546 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104525552 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104525558 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104525562 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104527251 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104527255 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104527259 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104527264 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104527716 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104527721 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104527726 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104527729 KJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104527803 KJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104527808 KJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104527811 KJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104527815 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104527886 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104527891 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104527897 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104527902 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537410 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537414 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537420 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537427 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104538000 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104538005 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104538011 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104538016 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104540568 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104540577 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104540582 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104540589 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545460 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545467 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545472 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545479 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545963 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545971 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545977 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545985 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545992 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545999 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104546008 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104546013 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546213 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546220 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546227 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546231 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548745 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548752 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548759 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548766 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000104549459 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000104549464 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000104549470 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000104549475 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551337 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551342 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551349 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551356 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554411 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554416 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554420 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554425 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554431 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554437 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554444 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554448 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554531 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554535 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554542 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104554549 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104556541 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104556548 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104556555 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104556561 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104557053 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104557058 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104557061 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104557065 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104557113 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104557120 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104557124 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104557134 KJ 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)c(OC)cc2Cl)C1 ZINC000104557158 KJ 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)c(OC)cc2Cl)C1 ZINC000104557165 KJ 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)c(OC)cc2Cl)C1 ZINC000104557170 KJ 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)c(OC)cc2Cl)C1 ZINC000104557175 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557271 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557278 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557283 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557288 KJ 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)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557327 KJ 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)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557333 KJ 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)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557342 KJ 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)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557347 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000104561494 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000104561499 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000104561503 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000104561511 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104561560 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104561566 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104561570 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104561575 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104561584 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104561592 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104561598 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104561603 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561651 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561657 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561665 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561668 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561675 KJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561680 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561686 KJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561693 KJ Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561701 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561707 KJ Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561714 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561722 KJ Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561788 KJ Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561792 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104561797 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000104563952 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000104563956 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000104563960 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000104563965 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000104565515 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000104565519 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000104565524 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000104567760 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000104567764 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000104567768 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000104567772 KJ Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000104567789 KJ Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000104567793 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000104567798 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000104567802 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104567848 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104567853 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104567858 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104567861 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000104570295 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000104570300 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000104570304 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000104570309 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000104570329 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000104570335 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000104570341 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000104570346 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br)OCC ZINC000104570781 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br)OCC ZINC000104570787 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br)OCC ZINC000104570792 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br)OCC ZINC000104570798 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC000104572053 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC000104572062 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104574395 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104574400 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104574407 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104574411 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000104574416 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000104574420 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000104574425 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000104574429 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104574509 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104574512 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104574515 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000104574518 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000104574522 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000104574526 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000104574529 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000104574533 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000104574537 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000104574542 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000104574546 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000104574548 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104575054 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104575059 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104575063 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104575067 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104575073 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104575077 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104575080 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104575084 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104575091 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104575096 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104575101 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104575102 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104576814 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104576817 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104576821 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104576826 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104576831 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104576835 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104576838 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104576841 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104576853 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104576856 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104576858 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104576862 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104576887 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104576890 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104576894 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104576897 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000104576902 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000104576907 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000104576909 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000104576914 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104576919 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104576924 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104576929 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104576934 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000104576958 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000104576963 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000104576968 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000104576971 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104577049 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104577055 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104577062 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104577068 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104577166 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104577168 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104577170 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104577173 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CP(=O)(OCC)OCC)cc1 ZINC000104577339 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CP(=O)(OCC)OCC)cc1 ZINC000104577343 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)CP(=O)(OCC)OCC)cc1 ZINC000104577348 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)CP(=O)(OCC)OCC)cc1 ZINC000104577351 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)ccc1OC ZINC000104578161 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)ccc1OC ZINC000104578163 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)ccc1OC ZINC000104578167 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)ccc1OC ZINC000104578171 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@H]1C)C2(C)C ZINC000104578734 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@@H]1C)C2(C)C ZINC000104578738 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104579896 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104579899 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104579903 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104579907 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104579943 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104579947 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104579950 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104579952 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000104579970 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000104579975 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104581861 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104581868 KJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104581939 KJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104581944 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104582007 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104582012 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104582014 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104582018 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000104582954 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000104582956 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000104582960 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000104582963 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104584809 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104584814 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104584816 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104584821 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104584873 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104584877 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104584881 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@@H](C)CO)ccc2c1 ZINC000104584945 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H](C)CO)ccc2c1 ZINC000104584948 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](C)CO)ccc2c1 ZINC000104584951 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104585016 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104585021 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104585024 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104585027 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000104585031 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000104585035 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000104585038 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000104585039 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)CC(C)C)c(OC)c1OC ZINC000104585043 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)CC(C)C)c(OC)c1OC ZINC000104585045 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)CC(C)C)c(OC)c1OC ZINC000104585049 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)CC(C)C)c(OC)c1OC ZINC000104585052 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104587132 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104587135 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104587140 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104587144 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)CC(C)C)cc1OC ZINC000104587168 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)CC(C)C)cc1OC ZINC000104587172 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)CC(C)C)cc1OC ZINC000104587176 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)CC(C)C)cc1OC ZINC000104587180 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F)C(=O)c1ccccc1 ZINC000104587578 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F)C(=O)c1ccccc1 ZINC000104587584 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F)C(=O)c1ccccc1 ZINC000104587588 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F)C(=O)c1ccccc1 ZINC000104587592 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1)OCC ZINC000104587781 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1)OCC ZINC000104587785 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1)OCC ZINC000104587789 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1)OCC ZINC000104587793 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000104591046 KJ Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000104591049 KJ Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000104591052 KJ Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000104591055 KJ Annotated Mild COc1cc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc(OC)c1OC ZINC000104592709 KJ Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc(OC)c1OC ZINC000104592714 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc(OC)c1OC ZINC000104592717 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc(OC)c1OC ZINC000104592723 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000104592752 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000104592756 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000104592761 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000104592766 KJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CP(=O)(OCC)OCC ZINC000104592832 KJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CP(=O)(OCC)OCC ZINC000104592837 KJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CP(=O)(OCC)OCC ZINC000104592839 KJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CP(=O)(OCC)OCC ZINC000104592843 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCOc2ccccc2)c1 ZINC000104593947 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCOc2ccccc2)c1 ZINC000104593951 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCOc2ccccc2)c1 ZINC000104593956 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCOc2ccccc2)c1 ZINC000104593960 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000104593983 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000104593987 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000104593991 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000104593996 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1OC ZINC000104594290 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1OC ZINC000104594295 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1OC ZINC000104594300 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1OC ZINC000104594305 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c(OC)c1 ZINC000104594312 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c(OC)c1 ZINC000104594317 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c(OC)c1 ZINC000104594323 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c(OC)c1 ZINC000104594328 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1OC ZINC000104594382 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1OC ZINC000104594384 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1OC ZINC000104594389 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1OC ZINC000104594393 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1 ZINC000104594399 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1 ZINC000104594401 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1 ZINC000104594404 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)c1 ZINC000104594408 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104594770 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104594774 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104594778 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104594783 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104594791 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104594793 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104594796 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104594800 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)c(OC)c1 ZINC000104598641 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)c(OC)c1 ZINC000104598645 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)c(OC)c1 ZINC000104598648 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)c(OC)c1 ZINC000104598652 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)c1OC ZINC000104598751 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)c1OC ZINC000104598756 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)c1OC ZINC000104598761 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)c1OC ZINC000104598767 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc(OC)c1 ZINC000104598797 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc(OC)c1 ZINC000104598802 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc(OC)c1 ZINC000104598807 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc(OC)c1 ZINC000104598811 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1)OCC ZINC000104598864 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1)OCC ZINC000104598868 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1)OCC ZINC000104598872 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1)OCC ZINC000104598878 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1)OCC ZINC000104598911 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1)OCC ZINC000104598916 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1)OCC ZINC000104598920 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1)OCC ZINC000104598927 KJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@@H]1C2(C)C ZINC000104602348 KJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@@H]1C2(C)C ZINC000104602353 KJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000104602358 KJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000104602363 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000104602758 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000104602763 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000104602767 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000104602772 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000104605428 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000104605434 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000104605440 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000104605446 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000104605578 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000104605584 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000104605589 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000104605593 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104607800 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104607805 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104607809 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610426 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610429 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610434 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610439 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610499 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610504 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610510 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610515 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610541 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610546 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610549 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610554 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610641 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610646 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610650 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610654 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104610924 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104610930 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104610937 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104610944 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000104610981 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000104610987 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000104610994 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000104610998 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614836 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614840 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614845 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614850 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104615132 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104615136 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104615140 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104615144 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615210 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615214 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615217 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615220 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104615268 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104615273 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104615279 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104615283 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617250 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617253 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617256 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617261 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104617640 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104617645 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104617649 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104617654 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104617674 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104617679 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104617684 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104617689 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619295 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619299 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619304 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619310 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104619469 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104619476 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104619479 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104619483 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104619520 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104619526 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104619530 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104619535 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104621323 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104621328 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104621333 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104621337 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621424 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621429 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621433 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621437 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621443 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621449 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621454 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621458 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621462 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621464 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621467 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621470 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621492 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621496 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621501 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621506 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621536 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621540 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621548 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621553 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621582 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621587 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621594 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621598 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104623744 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104623748 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104623752 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104623758 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623855 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623862 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623871 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623877 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104624310 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104624315 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104624319 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104624324 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104624329 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104624333 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104624337 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104624342 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104624410 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104624415 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104624419 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104624421 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104624438 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104624444 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104624448 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104624453 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626371 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626374 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626380 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626385 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626405 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626410 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626415 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626421 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104626425 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104626428 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104626432 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104626437 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104626464 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104626471 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104626478 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104626483 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc1 ZINC000104626627 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc1 ZINC000104626631 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc1 ZINC000104626633 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc1 ZINC000104626635 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000104626716 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000104626718 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000104626722 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000104626725 KJ 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)c3cc(OC)ccc3OC)C2)c1 ZINC000104628033 KJ 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)c3cc(OC)ccc3OC)C2)c1 ZINC000104628037 KJ 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)c3cc(OC)ccc3OC)C2)c1 ZINC000104628041 KJ 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)c3cc(OC)ccc3OC)C2)c1 ZINC000104628046 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104628227 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104628232 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104628235 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104628238 KJ 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)Cc3ccccc3OC)C2)c1 ZINC000104628698 KJ 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)Cc3ccccc3OC)C2)c1 ZINC000104628701 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104630096 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104630100 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104630104 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104630108 KJ 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)c3cccnc3SC)C2)c1 ZINC000104630194 KJ 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)c3cccnc3SC)C2)c1 ZINC000104630198 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630289 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630293 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630298 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630303 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630437 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000104630885 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000104630888 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104630892 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104630896 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104630932 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104630935 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104630940 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104630943 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104630956 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104630958 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632265 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632268 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632275 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632282 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632291 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632295 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632300 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632306 KJ 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)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632401 KJ 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)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632405 KJ 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)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632410 KJ 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)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104632414 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000104632880 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000104632885 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000104632889 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000104632892 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632896 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632902 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632908 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632911 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104633268 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104633273 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104633279 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104633283 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104633288 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104633292 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104633295 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104633299 KJ Annotated Anodyne CCOP(=O)(CC(=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)OCC ZINC000104633394 KJ Annotated Anodyne CCOP(=O)(CC(=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)OCC ZINC000104633398 KJ Annotated Anodyne CCOP(=O)(CC(=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)OCC ZINC000104633402 KJ Annotated Anodyne CCOP(=O)(CC(=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)OCC ZINC000104633407 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104634604 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104634609 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104634647 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104634651 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104634654 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104634657 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104640632 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104640640 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104640644 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104640647 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104640755 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104640762 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104640767 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104640772 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NC[C@H](C)O)ccc2c1 ZINC000104644268 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NC[C@@H](C)O)ccc2c1 ZINC000104644274 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NC[C@H](C)O)ccc2c1 ZINC000104644278 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NC[C@@H](C)O)ccc2c1 ZINC000104644283 KJ Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104644689 KJ Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104644693 KJ Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104644698 KJ Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104644702 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104646058 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104646061 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104646066 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104646071 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104646101 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104646104 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104646106 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104646108 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104646198 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104646201 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104646205 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104646272 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104646277 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104646282 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104646285 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104646518 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104646521 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104646526 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104646532 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104648291 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104648298 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104648304 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104648308 KJ Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000104925864 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927250 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104930012 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104930041 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCN(C)C)cs1 ZINC000104934797 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCN(C)C)cs1 ZINC000104934801 KJ Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104934832 KJ Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104934837 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@@H](C(=O)OCC(C)(C)N(C)C)C2)cs1 ZINC000104936791 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@H](C(=O)OCC(C)(C)N(C)C)C2)cs1 ZINC000104936796 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@@H](C(=O)OCCCCN(C)C)C2)cs1 ZINC000104936802 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@H](C(=O)OCCCCN(C)C)C2)cs1 ZINC000104936807 KJ Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)C1 ZINC000104936812 KJ Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)C1 ZINC000104936815 KJ Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936927 KJ Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936935 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)cs1 ZINC000104937225 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)cs1 ZINC000104937231 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)N3CCCNCC3)cc2)cs1 ZINC000104937635 KJ Annotated Anodyne O=C(NCc1ccc(C(=O)N2CCCNCC2)cc1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104937674 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)OCCOCCN(C)C)cc2)cs1 ZINC000104937986 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)OCCN(C)C)cc2)cs1 ZINC000104937999 KJ Annotated Anodyne COC(=O)c1ccc(CNC(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)cc1 ZINC000104938018 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)NCc2ccccc2N)C(C)C)cs1 ZINC000104938391 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)NCc2ccccc2N)C(C)C)cs1 ZINC000104938395 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)cs1 ZINC000104938432 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)cs1 ZINC000104938435 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)NCCCN2CCCC2)C(C)C)cs1 ZINC000104939069 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)NCCCN2CCCC2)C(C)C)cs1 ZINC000104939074 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)N2CCCCC2)C(C)C)cs1 ZINC000104939118 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)N2CCCCC2)C(C)C)cs1 ZINC000104939122 KJ Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCCCN1CCCC1 ZINC000104939176 KJ Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCCCN1CCCC1 ZINC000104939179 KJ Annotated Anodyne CCC#CCOC(=O)[C@H](NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1)C(C)C ZINC000104939707 KJ Annotated Mild CCC#CCOC(=O)[C@@H](NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1)C(C)C ZINC000104939713 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs1 ZINC000104939727 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs1 ZINC000104939731 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)OCCCCN(C)C)C(C)C)cs1 ZINC000104939736 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)OCCCCN(C)C)C(C)C)cs1 ZINC000104939738 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000104940274 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000104940282 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104940289 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104940293 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H](C)NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000104940397 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000104940400 KJ Annotated Anodyne CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104942058 KJ Annotated Anodyne CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104942061 KJ Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)OCCC3CCCCC3)co2)cc1 ZINC000104943126 KJ Annotated Mild Cc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)OCCC3CCCCC3)co2)cc1 ZINC000104943128 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3ccccc3C)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000104943203 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3ccccc3C)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000104943205 KJ Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCc3cccc(OC)c3OC)co2)cc1 ZINC000104943373 KJ Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCc3cccc(OC)c3OC)co2)cc1 ZINC000104943375 KJ Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCCCOCCCC)co2)cc1 ZINC000104943380 KJ Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCCCOCCCC)co2)cc1 ZINC000104943383 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104943647 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104943652 KJ Annotated Anodyne CCCCOCCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104944880 KJ Annotated Anodyne CCCCOCCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104944882 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(N)=O)cs1 ZINC000104945700 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(N)=O)cs1 ZINC000104945703 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCN)cs1 ZINC000104945708 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCN)cs1 ZINC000104945711 KJ Annotated Anodyne NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945723 KJ Annotated Anodyne NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945726 KJ Annotated Anodyne NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945730 KJ Annotated Anodyne NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945733 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCC(=O)NCCC2=CCCCC2)cs1 ZINC000104946405 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCC(=O)NCC2CCCCC2)cs1 ZINC000104946435 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104946723 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104948603 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104948607 KJ Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949191 KJ Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949194 KJ Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949695 KJ Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949699 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CC(=O)NCc2cccc(OC)c2OC)cs1 ZINC000104949938 KJ Annotated Anodyne CCCCOCCCNC(=O)CN(C)C(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104949942 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CC(=O)NCC2CCCCC2)cs1 ZINC000104949958 KJ Annotated Anodyne COc1cccc(CNC(=O)CN(C)C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000104949976 KJ Annotated Anodyne CCCCOCCOC(=O)CN(C)C(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104950460 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)cs1 ZINC000104950747 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)cs1 ZINC000104950750 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CO)COCc2ccccc2)cs1 ZINC000104950752 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CO)COCc2ccccc2)cs1 ZINC000104950753 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCCN(C)C)cs1 ZINC000104951491 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCCN(C)C)cs1 ZINC000104951493 KJ Annotated Anodyne COC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104951496 KJ Annotated Anodyne COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104951499 KJ Annotated Anodyne CN(C)CCOCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951500 KJ Annotated Anodyne CN(C)CCOCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951502 KJ Annotated Anodyne CN(C)CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951514 KJ Annotated Anodyne CN(C)CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951517 KJ Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000104954258 KJ Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000104954262 KJ Annotated Bother COc1cccc(CNC(=O)c2ccc(CNC(=O)c3csc(-c4ccccc4[N+](=O)[O-])n3)cc2)c1OC ZINC000104955545 KJ Annotated Bother CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104956222 KJ Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104956225 KJ Annotated Bother CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104959701 KJ Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104959705 KJ Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104960977 KJ Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104960979 KJ Annotated Bother COc1cccc(CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2coc(-c3cccs3)n2)c1OC ZINC000104961302 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2coc(-c3cccs3)n2)c1OC ZINC000104961306 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961344 KJ Annotated Bother Nc1ccccc1CNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961348 KJ Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961382 KJ Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961385 KJ Annotated Bother CN(C)C(C)(C)COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104962096 KJ Annotated Bother CN(C)C(C)(C)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104962101 KJ Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104962141 KJ Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104962147 KJ Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)OCC(C)(C)N(C)C)cs2)c1 ZINC000104962363 KJ Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)OCC(C)(C)N(C)C)cs2)c1 ZINC000104962367 KJ Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962519 KJ Annotated Bother CN(C)C(C)(C)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962523 KJ Annotated Bother CN(C)CCCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962527 KJ Annotated Bother CN(C)CCCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962531 KJ Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962561 KJ Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962565 KJ Annotated Bother CN(C)CCOCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104962580 KJ Annotated Anodyne CN(C)CCOCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104962584 KJ Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104965162 KJ Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104965167 KJ Annotated Bother O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000104967347 KJ Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000104967352 KJ Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2cccs2)n1 ZINC000104967533 KJ Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2cccs2)n1 ZINC000104967538 KJ Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCOc3ccc(F)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105111519 KJ Annotated Anodyne COc1ccccc1CNc1nc(N(C)CCN(C)C(=O)CCOc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105111589 KJ Annotated Anodyne COc1ccc(CCNc2nc(N(C)CCN(C)C(=O)CCOc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105112222 KJ Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCc3ccc(F)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105112548 KJ Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCc3ccc(F)cc3)nc(NCc3cccs3)c2cc1OC ZINC000105112565 KJ Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3ccc4[nH]nnc4c3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105112724 KJ Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105112757 KJ Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccs3)c2cc1OC ZINC000105112772 KJ Annotated Bother COc1ccc(CNc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc3cc(OC)c(OC)cc23)cc1OC ZINC000105112801 KJ Annotated Bother COc1ccccc1CNc1nc(N(C)CCN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000105112809 KJ Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105113399 KJ Annotated Bother CCN(CC)CCCNc1nc(N(C)CCN(C)C(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105113439 KJ Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)CCCCC3CCCCC3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC ZINC000105113671 KJ Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCCCC3CCCCC3)nc(N[C@H]3CCCCNC3=O)c2cc1OC ZINC000105113677 KJ Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccoc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105116668 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000105117493 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000105117499 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000105117639 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000105117644 KJ Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cnccn3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105117716 KJ Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCOc3ccc(F)cc3)nc(NCc3ccco3)c2cc1OC ZINC000105117920 KJ Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCOc3ccc(F)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105118421 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)CCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000105118532 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)CCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000105118536 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000105118588 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000105118593 KJ Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccco3)c2cc1OC ZINC000105118875 KJ Annotated Bother COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105119089 KJ Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105119127 KJ Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCOC(C)C)c2cc1OC ZINC000105119296 KJ Annotated Bother CCN(CC)CCCNc1nc(NCCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000105119322 KJ Annotated Bother CC[C@@H](COC)Nc1nc(NCCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105119420 KJ Annotated Bother CC[C@H](COC)Nc1nc(NCCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105119424 KJ Annotated Bother COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105119675 KJ Annotated Anodyne CCN(CC)CCCNc1nc(NCCCNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000105120430 KJ Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc4cccc(OC)c4o3)nc(NCc3ccco3)c2cc1OC ZINC000105120989 KJ Annotated Anodyne CCN(CC)CCCNc1nc(NCCCNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105121230 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105121234 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105121237 KJ Annotated Anodyne COc1ccc(CCNc2nc(NCCCNC(=O)CCOc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105121344 KJ Annotated Anodyne COc1ccc(CCCC(=O)NCCCNc2nc(NCCCOC(C)C)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105121397 KJ Annotated Anodyne CCN(CC)CCCNc1nc(NCCCNC(=O)CCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000105121430 KJ Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc4cccc(OC)c4o3)nc(NCCCOC(C)C)c2cc1OC ZINC000105121466 KJ Annotated Anodyne CCN(CC)CCCNc1nc(NCCCNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000105121500 KJ Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105121794 KJ Annotated Bother COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccs3)c2cc1OC ZINC000105121806 KJ Annotated Bother COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3ccco3)c2cc1OC ZINC000105121889 KJ Annotated Bother COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccccc3)c2cc1OC ZINC000105122287 KJ Annotated Bother COc1ccc(CCNc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc3cc(OC)c(OC)cc23)cc1 ZINC000105122300 KJ Annotated Bother COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105122417 KJ Annotated Bother CCN(CC)CCCNc1nc(NCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105122450 KJ Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)c3ccoc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105136738 KJ Annotated Anodyne COc1ccc(OC)c(CC(=O)NCC(C)(C)CNc2nc(NCc3ccco3)c3cc(OC)c(OC)cc3n2)c1 ZINC000105136964 KJ Annotated Anodyne COCCOCCOCC(=O)NCC(C)(C)CNc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(OC)c(OC)cc2n1 ZINC000105137090 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cc(OC)c3ccccc3n2)nc2cc(OC)c(OC)cc12 ZINC000105137315 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cc(OC)c3ccccc3n2)nc2cc(OC)c(OC)cc12 ZINC000105137320 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2nccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105137375 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2nccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105137378 KJ Annotated Anodyne COc1ccc(OC)c(CC(=O)NCC(C)(C)CNc2nc(NCCCOC(C)C)c3cc(OC)c(OC)cc3n2)c1 ZINC000105137405 KJ Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)Cc2cc(OC)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000105137435 KJ Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(N[C@@H]3CCCCNC3=O)c2cc1OC ZINC000105138210 KJ Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(N[C@H]3CCCCNC3=O)c2cc1OC ZINC000105138215 KJ Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)CCOc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138305 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCOc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138309 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCOc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138314 KJ Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc4[nH]nnc4c3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105138677 KJ Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccco3)c2cc1OC ZINC000105138718 KJ Annotated Bother CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138967 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138975 KJ Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc4[nH]nnc4c3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105139092 KJ Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCOC(C)C)c2cc1OC ZINC000105139146 KJ Annotated Bother CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000105139186 KJ Annotated Bother CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000105139193 KJ Annotated Bother CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000105139198 KJ Annotated Bother CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105139311 KJ Annotated Bother CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105139315 KJ Annotated Bother COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCc3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000105155110 KJ Annotated Anodyne COc1ccccc1CCNc1nc(NCc2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000105155766 KJ Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163288 KJ Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105163300 KJ Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163648 KJ Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(OCC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163764 KJ Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105164207 KJ Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(OCC)c(OC)c2)nc1-c1ccc(F)cc1 ZINC000105166493 KJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105169566 KJ Annotated Anodyne COc1cc(-c2nc(N3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169679 KJ Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(CCC#N)CCC#N)cc(OC)c1OC ZINC000105170093 KJ Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105171663 KJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105171666 KJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105171670 KJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCC(C)CC3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105171704 KJ Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc(C)c1 ZINC000105174139 KJ Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175790 KJ Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175793 KJ Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105177072 KJ Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(OCC)c(OC)c2)nc1-c1ccc(C#N)cc1 ZINC000105184589 KJ Annotated Mild COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190806 KJ Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190862 KJ Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190867 KJ Annotated Bother COc1cc(-c2nc(N3CCN(C(C)=O)CC3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105195175 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195181 KJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195188 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195208 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195288 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195294 KJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195299 KJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195306 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195410 KJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195416 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198433 KJ Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198517 KJ Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198522 KJ Annotated Bother CC(C)CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCN1CCCC1=O ZINC000105204420 KJ Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000105205170 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105205275 KJ Annotated Anodyne COc1cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105208128 KJ Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208263 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105208367 KJ Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209220 KJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC3CC3)ncnc21 ZINC000105210113 KJ Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000105210152 KJ Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105210969 KJ Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211064 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105211171 KJ Annotated Anodyne COc1cc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105212795 KJ Annotated Anodyne COc1cc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105214906 KJ Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215015 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105215137 KJ Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105216640 KJ Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105216780 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105216878 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105221033 KJ Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccccc1F)C(N)=O ZINC000105221432 KJ Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1ccccc1F)C(N)=O ZINC000105221460 KJ Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccccc2F)cc1 ZINC000105221488 KJ Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2CCc1ccccc1F)C(N)=O ZINC000105221581 KJ Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CCCCN)C(N)=O)ccc3n2CCc2ccccc2F)cc1Cl ZINC000105221622 KJ Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2CCc2ccccc2F)c1 ZINC000105221644 KJ Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)N[C@@H](CCCCN)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000105221724 KJ Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](CCCCN)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000105221728 KJ Annotated Anodyne COc1ccc(Nc2nc3cc(C(=O)N[C@@H](CCCCN)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)c(OC)c1 ZINC000105221734 KJ Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)N[C@@H](CCCCN)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)c1 ZINC000105221741 KJ Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2Cc1cccc(Cl)c1 ZINC000105221960 KJ Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2Cc1ccc(Cl)cc1 ZINC000105222094 KJ Annotated Anodyne NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2CCc1cccc(F)c1 ZINC000105222306 KJ Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CCC(=O)O)C(N)=O)ccc3n2CCc2cccc(F)c2)cc1Cl ZINC000105222313 KJ Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2CCCN1CCOCC1 ZINC000105222648 KJ Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2CCCO)C(N)=O ZINC000105222736 KJ Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2Cc1ccccc1Cl)C(N)=O ZINC000105222766 KJ Annotated Anodyne COc1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2Cc2ccccc2Cl)c(OC)c1 ZINC000105222901 KJ Annotated Anodyne NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc2c(c1)nc(Nc1cccc3ccccc13)n2CCN1CCOCC1 ZINC000105223307 KJ Annotated Anodyne O=C(Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccccc1Cl)CC3)NCc1ccccc1 ZINC000105228138 KJ Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(O)nc21)CN(C(=O)c1ccccc1Cl)CC3)NCc1ccco1 ZINC000105228210 KJ Annotated Anodyne O=C(Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccccc1C(F)(F)F)CC3)NCc1ccccc1 ZINC000105228404 KJ Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(O)nc21)CN(C(=O)c1ccccc1C(F)(F)F)CC3)NCc1ccco1 ZINC000105228535 KJ Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccccc1C(F)(F)F)CC3 ZINC000105228595 KJ Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccccc1C(F)(F)F)CC3 ZINC000105228600 KJ Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(O)nc21)CN(C(=O)c1ccc(Cl)cc1)CC3)NCc1ccco1 ZINC000105228897 KJ Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccc2ccccc2c1)CC3 ZINC000105228954 KJ Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccc2ccccc2c1)CC3 ZINC000105228961 KJ Annotated Anodyne O=C(Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC3)NCc1ccccc1 ZINC000105229144 KJ Annotated Anodyne CC[C@H](C(=O)N1CCc2c(c(O)nc3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1)c1ccccc1 ZINC000105229168 KJ Annotated Anodyne CC[C@@H](C(=O)N1CCc2c(c(O)nc3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1)c1ccccc1 ZINC000105229172 KJ Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(O)nc21)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC3)NCc1ccco1 ZINC000105229293 KJ Annotated Anodyne CC[C@H](C(=O)N1CCc2c(c(O)nc3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1)c1ccccc1 ZINC000105229313 KJ Annotated Anodyne CC[C@@H](C(=O)N1CCc2c(c(O)nc3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1)c1ccccc1 ZINC000105229317 KJ Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC3 ZINC000105229331 KJ Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC3 ZINC000105229337 KJ Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(O)nc21)CN(C(=O)c1cccc(Cl)c1)CC3)NCc1ccco1 ZINC000105229673 KJ Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000105236173 KJ Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000105236212 KJ Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000105236224 KJ Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000105236327 KJ Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000105236339 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000105236356 KJ Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccccc1 ZINC000105236684 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000105237713 KJ Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000105239182 KJ Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000105239187 KJ Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000105239315 KJ Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000105239321 KJ Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000105239533 KJ Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000105239538 KJ Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000105239829 KJ Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000105239833 KJ Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000105239972 KJ Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000105239975 KJ Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000105239995 KJ Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000105240000 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000105240025 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000105240030 KJ Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000105240843 KJ Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2)c1ccncc1 ZINC000105241696 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@H]1[C@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)cc1O ZINC000105480374 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)cc1O ZINC000105480377 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@H]1[C@@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)cc1O ZINC000105480380 KJ Annotated Anodyne COC(=O)c1onc([C@H]2OC(C)(C)O[C@H]2[C@@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OC ZINC000105510498 KJ Annotated Anodyne COC(=O)c1onc([C@@H]2OC(C)(C)O[C@H]2[C@@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OC ZINC000105510500 KJ Annotated Anodyne COC(=O)c1onc([C@H]2OC(C)(C)O[C@@H]2[C@@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OC ZINC000105510503 KJ Annotated Anodyne COC(=O)c1onc([C@@H]2OC(C)(C)O[C@@H]2[C@@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OC ZINC000105510505 KJ Annotated Anodyne COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000105524758 KJ Annotated Mild COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000105524760 KJ Annotated Mild COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000105524763 KJ Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@@H]3[C@@H]1CC ZINC000105557591 KJ Annotated Mild C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C/C(=O)C1 ZINC000105573028 KJ Annotated Mild CC[C@@H]1[C@H](CC2=N/C(=C/c3[nH]c(C[C@H]4NC(=O)[C@@H](CC)[C@H]4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC(=O)[C@@H]1C ZINC000109565365 KJ Annotated Anodyne in-vitro endogenous CC[C@@H]1[C@H](CC2=N/C(=C\c3[nH]c(C[C@H]4NC(=O)[C@@H](CC)[C@H]4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC(=O)[C@@H]1C ZINC000109565369 KJ Annotated Anodyne CC[C@H]1C(=O)N[C@@H](Cc2[nH]c(/C=C3\N=C(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@@H]1C ZINC000111871176 KJ Annotated Anodyne CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCCCOC)c(C(C)C)cc2F)C2CC2)C1 ZINC000113098925 KJ Annotated Anodyne COc1cc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c3c2)ccc1NC(=O)OC(C)(C)C ZINC000113197010 KJ Annotated Anodyne Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O ZINC000113254244 KJ Annotated Anodyne CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1C[C@H]1CCCO1 ZINC000113477063 KJ Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\N)c1ccccn1 ZINC000113477226 KJ Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1cccnc1 ZINC000113478279 KJ Annotated Reactive CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\N)c1ccncc1 ZINC000113478950 KJ Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1ccncc1 ZINC000113479131 KJ Annotated Reactive CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\N)c1cccnc1 ZINC000113479229 KJ Annotated Mild CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)c2ccncc2)cc(C(C)(C)C)n1C ZINC000113479350 KJ Annotated Reactive CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)c2cccnc2)cc(C(C)(C)C)n1C ZINC000113480044 KJ Annotated Reactive C[C@@H](CCc1ccccc1)N[C@@H](C)[C@@H](O)c1cc(I)c(O)c(I)c1 ZINC000113540814 KJ Annotated Anodyne in-man C[C@@H](CCc1ccccc1)N[C@H](C)[C@@H](O)c1cc(I)c(O)c(I)c1 ZINC000113540817 KJ Annotated Anodyne in-man N[C@H]1CCN(C(=O)CN(C(=O)/C=C/c2ccccc2)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)C1 ZINC000114000831 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2c1OCCO2 ZINC000114097453 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2c1OCCO2 ZINC000114097455 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000114097905 KJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3[nH]ccc23)CCO1 ZINC000114098990 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3[nH]ccc23)CCO1 ZINC000114098992 KJ Annotated Anodyne COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099042 KJ Annotated Bother COc1ccc(N)cc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099188 KJ Annotated Anodyne COc1ccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)cc1N ZINC000114099294 KJ Annotated Anodyne COc1c(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)cccc1[N+](=O)[O-] ZINC000114099617 KJ Annotated Bother COc1c(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)cccc1[N+](=O)[O-] ZINC000114099619 KJ Annotated Bother COc1c(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000114099643 KJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3c2ccn3C)CCO1 ZINC000114099696 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3c2ccn3C)CCO1 ZINC000114099698 KJ Annotated Anodyne CC(=O)Oc1cccc(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000114099889 KJ Annotated Anodyne CC(=O)Oc1cccc(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000114099891 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000114100164 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000114100340 KJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000114100482 KJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000114100605 KJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000114100607 KJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3cc[nH]c23)CCO1 ZINC000114100612 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3cc[nH]c23)CCO1 ZINC000114100613 KJ Annotated Anodyne COc1ccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)cc1[N+](=O)[O-] ZINC000114100897 KJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3ccn(C)c23)CCO1 ZINC000114101015 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3ccn(C)c23)CCO1 ZINC000114101016 KJ Annotated Anodyne COc1c(N)cccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114101053 KJ Annotated Anodyne CC(C)Oc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000114157071 KJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC(F)F)cnc3n2C2CCC2)nc1)C(F)(F)F ZINC000114159177 KJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2C2CCC2)nc1)C(F)(F)F ZINC000114174073 KJ Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)c1ccc(C#N)cc1)c1nc-2c(Cl)[nH]1 ZINC000114229671 KJ Annotated Anodyne CCc1nc(/C=C(\C)[C@@H]2C[C@@H]3O[C@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000114293795 KJ Annotated Anodyne N#CC1CCN(C(=O)N2C[C@@H](NC(=O)c3ccccc3)C[C@H](c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000114341005 KJ Annotated Anodyne N#CC1CCN(C(=O)N2C[C@H](c3ccc(OC(F)(F)F)cc3)C[C@@H](NC(=O)c3ccccc3)C2)CC1 ZINC000114341007 KJ Annotated Anodyne N#CC1CCN(C(=O)N2C[C@H](NC(=O)c3ccccc3)C[C@H](c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000114341009 KJ Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000114346075 KJ Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000114346077 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12 ZINC000114346205 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12 ZINC000114346207 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12 ZINC000114347546 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12 ZINC000114347549 KJ Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](CCN3CCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114347902 KJ Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@H](CCN3CCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114347904 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 ZINC000114347963 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 ZINC000114347965 KJ Annotated Anodyne C=CCN(C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000114349088 KJ Annotated Mild C=CCN(C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000114349089 KJ Annotated Mild CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-n2cc(C)cn2)cc1C ZINC000114359120 KJ Annotated Anodyne CCOC(=O)c1ccc(-c2c3c(c(OC)c4c2OCO4)[C@H]([C@H]2OC(=O)c4c2ccc(OC)c4OC)N(C)CC3)cc1 ZINC000114381721 KJ Annotated Anodyne COc1cccc(-c2c3c(c(OC)c4c2OCO4)[C@H]([C@H]2OC(=O)c4c2ccc(OC)c4OC)N(C)CC3)c1 ZINC000114381723 KJ Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3ccc(C)cc3)c3c(c2OC)OCO3)CCN1C ZINC000114383234 KJ Annotated Anodyne COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OCCN1C(=O)c2ccccc2C1=O ZINC000114590954 KJ Annotated Anodyne O=C(O)C1CCN(C(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1 ZINC000114709596 KJ Annotated Anodyne O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114712418 KJ Annotated Anodyne O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114712787 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@@H]1C(=O)OCC ZINC000114765023 KJ Annotated Anodyne CN(C)CC(C)(C)COc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1 ZINC000114904067 KJ Annotated Anodyne in-vitro O=S(=O)(NCCOc1cc2c(cc1F)CCN[C@H]2C1(c2ccc(Cl)cc2)CCC1)c1cccnc1 ZINC000114978131 KJ Annotated Anodyne O=S(=O)(NCCOc1cc2c(cc1F)CCN[C@@H]2C1(c2ccc(Cl)cc2)CCC1)c1cccnc1 ZINC000114978133 KJ Annotated Anodyne Nc1cccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)c1 ZINC000114978328 KJ Annotated Anodyne Nc1cccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)c1 ZINC000114978330 KJ Annotated Anodyne N#Cc1ccccc1S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114979911 KJ Annotated Mild N#Cc1ccccc1S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114979913 KJ Annotated Mild CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)N(C(=O)C(F)(F)F)CC2 ZINC000114979978 KJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)N(C(=O)C(F)(F)F)CC2 ZINC000114979980 KJ Annotated Anodyne Nc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1 ZINC000114979997 KJ Annotated Anodyne Nc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1 ZINC000114979998 KJ Annotated Anodyne CCN(CC)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2(C)C ZINC000114980273 KJ Annotated Anodyne CCN(CC)S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2(C)C ZINC000114980274 KJ Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1 ZINC000114980430 KJ Annotated Mild N#Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1 ZINC000114980432 KJ Annotated Mild CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCC2 ZINC000114980783 KJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCC2 ZINC000114980785 KJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)N(C(C)=O)CC2 ZINC000114981650 KJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)N(C(C)=O)CC2 ZINC000114981652 KJ Annotated Anodyne N#CN/C(=N/CC1CCN(C(N)=O)CC1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000011524216 KJ Annotated Mild CC[C@@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000011616815 KJ Annotated Clean CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000011677813 KJ Annotated Mild in-vitro Cc1ccc(CN2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000011785936 KJ Annotated Anodyne COc1cc(-c2cc(C)c3c(OC)ccc(OC)c3n2)cc2c1OCCN(C(=O)CCn1ccc(C)n1)C2 ZINC000011913365 KJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)N(CC#N)CC2 ZINC000115176678 KJ Annotated Mild CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)N(CC#N)CC2 ZINC000115176682 KJ Annotated Mild O=C(O)COc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br ZINC000115368356 KJ Annotated Anodyne CC1(CNc2nc(-c3cc(N[C@@H]4CC[C@@H](N[C@@H]5CCS(=O)(=O)C5)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000115455045 KJ Annotated Anodyne CC1(CNc2nc(-c3cc(N[C@@H]4CC[C@@H](N[C@H]5CCS(=O)(=O)C5)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000115455049 KJ Annotated Anodyne CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115455210 KJ Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115455644 KJ Annotated Anodyne CS(=O)(=O)CCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115455653 KJ Annotated Anodyne CS(=O)(=O)CCN[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115456090 KJ Annotated Anodyne Fc1ccc(-c2cc(N[C@@H]3CC[C@@H](NC[C@@H]4CCO4)CC3)ncc2Cl)nc1NCC1CCOCC1 ZINC000115456387 KJ Annotated Anodyne Fc1ccc(-c2cc(N[C@@H]3CC[C@@H](NC[C@H]4CCO4)CC3)ncc2Cl)nc1NCC1CCOCC1 ZINC000115456390 KJ Annotated Anodyne O=S1(=O)CCC(CN[C@@H]2CC[C@@H](Nc3cc(-c4ccc(F)c(NCC5CCOCC5)n4)c(Cl)cn3)CC2)CC1 ZINC000115456580 KJ Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115456587 KJ Annotated Mild COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@@H]4COC(C)(C)CO4)n3)c(Cl)cn2)CC1 ZINC000115457083 KJ Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@H]4COC(C)(C)CO4)n3)c(Cl)cn2)CC1 ZINC000115457084 KJ Annotated Anodyne O[C@H](CN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1)C(F)(F)F ZINC000115457472 KJ Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457569 KJ Annotated Mild COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@@H]4COCC(C)(C)O4)n3)c(Cl)cn2)CC1 ZINC000115458119 KJ Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@H]4COCC(C)(C)O4)n3)c(Cl)cn2)CC1 ZINC000115458121 KJ Annotated Anodyne COC(=O)Nc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)n2)cc1 ZINC000115469270 KJ Annotated Anodyne Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)/C=C/c4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc12 ZINC000115471621 KJ Annotated Anodyne CCCOc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000115739249 KJ Annotated Anodyne CC(C)c1cc(-c2nnc(O)n2-c2ccc3c(ccn3C(=O)CCNC(=O)OC(C)(C)C)c2)c(O)cc1O ZINC000115810073 KJ Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc([C@@H](O)C(F)(F)F)cc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832983 KJ Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc([C@H](O)C(F)(F)F)cc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832985 KJ Annotated Anodyne O=C(O)c1ccc2c(c1)nc(C(=O)NC1CCN(C3CC3)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1 ZINC000116021850 KJ Annotated Anodyne Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)n(C)n2)cccc1N1Cc2c(sc3ccccc23)C1=O ZINC000116053485 KJ Annotated Anodyne CN1CCC(c2ccc(Nc3nc(-c4cc(F)cc(N5CCn6c(cc7c6CCCC7)C5=O)c4CO)cn(C)c3=O)cc2)CC1 ZINC000116054526 KJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCC[C@@H]3O)c2)c1)c1ccc2c(c1)OCCO2 ZINC000116225056 KJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCC[C@@H]3O)c2)c1)c1ccc2c(c1)OCOC2 ZINC000116227332 KJ Annotated Anodyne Cc1ccc(F)c(NC(=O)c2cccc(Oc3ccnc(-c4cc(C(=O)N5CC[C@H](O)C5)c[nH]4)c3)c2)c1 ZINC000116233690 KJ Annotated Anodyne Cc1ccc(F)c(NC(=O)c2ccc(F)c(Oc3ccnc(-c4cc(C(=O)NCC(=O)O)c[nH]4)c3)c2)c1 ZINC000116236475 KJ Annotated Anodyne CCn1c(N2CCNCC2)nc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000117020148 KJ Annotated Anodyne Cc1nn(-c2ncccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000117174092 KJ Annotated Anodyne CCN(CC)CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117327573 KJ Annotated Anodyne CCN(CC)CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117327577 KJ Annotated Anodyne O=S(=O)(CCC(F)(F)F)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117329017 KJ Annotated Anodyne O=S(=O)(CCC(F)(F)F)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117329019 KJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3cccc(Cl)c3)CCC1)N(CC#N)CC2 ZINC000117336991 KJ Annotated Mild CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3cccc(Cl)c3)CCC1)N(CC#N)CC2 ZINC000117336995 KJ Annotated Mild Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C(C)C)CC6)ccn45)cccc32)n1 ZINC000117880580 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn34)c12 ZINC000117884199 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC5CCN(C)CC5)ccn34)c12 ZINC000117884570 KJ Annotated Anodyne COCCOc1ccn2c(C(=O)Nc3cccc4c3c(I)nn4Cc3ccccc3)cnc2c1 ZINC000117884745 KJ Annotated Anodyne CC(C)N1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(C4CC4)nn5Cc4ccc(F)cn4)cnc3c2)CC1 ZINC000117884962 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc6n5CCN(C)C6)ccn34)c12 ZINC000117885123 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](F)C5)ccn34)c12 ZINC000117885264 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@H](F)C5)ccn34)c12 ZINC000117885267 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc(C)n5C)ccn34)c12 ZINC000117885454 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCN5CC[C@@H](F)C5)ccn34)c12 ZINC000117889288 KJ Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCC6)ccn45)cccc32)n1 ZINC000117889520 KJ Annotated Anodyne CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5ccc(CN(C)C)o5)ccn34)c12 ZINC000117891891 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C(C)C)CC5)ccn34)c12 ZINC000117893205 KJ Annotated Anodyne CCc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12 ZINC000117896546 KJ Annotated Anodyne COC(=O)c1c2c(c3ccccc3c1O)O[C@]13[C@H]2Oc2c(c(C(=O)OC)c(O)c4ccccc24)[C@H]1C(=O)OC3(C)C ZINC000118071037 KJ Annotated Anodyne Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118091638 KJ Annotated Anodyne Cc1c(-c2cncc(S(C)(=O)=O)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118094536 KJ Annotated Clean Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118095898 KJ Annotated Anodyne Cc1c(N2CCOC(C)(C)C2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118096009 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1nc(C(F)(F)F)cs1)C2 ZINC000118245497 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1nc(C(F)(F)F)cs1)C2 ZINC000118245499 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1nc(C(F)(F)F)cs1)C2 ZINC000118245501 KJ Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCN(C)CC2)CC1 ZINC000118317923 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CC(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4Cl)nc23)C1 ZINC000118388670 KJ Annotated Anodyne C[C@H]1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCN1C(=O)OC(C)(C)C ZINC000118400903 KJ Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5CC(F)(F)F)cn3)nc2n1C1CCCC1 ZINC000118590386 KJ Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)NC)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118798572 KJ Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)NC)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118798574 KJ Annotated Anodyne CCCCNC(=O)NCC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12 ZINC000118824644 KJ Annotated Anodyne CCCCNC(=O)NCC[C@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12 ZINC000118824646 KJ Annotated Anodyne COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(NC(C)=O)c1 ZINC000118900087 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@]4(C=C[C@]5(C=C4C(=O)c4ccc(F)c(F)c4)C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@]2(O)CN1CCC(C(N)=O)CC1 ZINC000118916814 KJ Annotated Mild C[C@]12CC[C@H]3[C@@]4(C=C[C@]5(C=C4C(=O)c4ccc(F)c(F)c4)C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@]2(O)CN1CCC(C(N)=O)CC1 ZINC000118916816 KJ Annotated Mild C[C@]12CC[C@H]3[C@@]4(C=C[C@@]5(C=C4C(=O)c4ccc(F)c(F)c4)C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@]2(O)CN1CCC(C(N)=O)CC1 ZINC000118916817 KJ Annotated Mild CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)C5=CC=CC(=O)[C@]5(COC(C)=O)[C@H]4CC[C@@]32C)OC1=O ZINC000118921436 KJ Annotated Mild CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(Cl)CC=CC(=O)[C@]5(COC(C)=O)[C@H]4CC[C@@]32C)OC1=O ZINC000118921437 KJ Annotated Mild COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CCOc2c(cc(-c3cnc4ccccc4c3)cc2OC)C1 ZINC000012079208 KJ Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C(C)C)N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000012466685 KJ Annotated Anodyne COc1ccccc1CNC(=O)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000012477540 KJ Annotated Bother COc1ccccc1CNC(=O)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000012477545 KJ Annotated Bother COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012479665 KJ Annotated Anodyne C=C[C@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@@H]2C[C@H]3c4ccc(OC)cc4N[C@H]3[C@@H]3C[C@H]1[C@H]2CO3 ZINC000012509709 KJ Annotated Mild C=C[C@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@@H]2C[C@@H]3c4ccc(OC)cc4N[C@H]3[C@@H]3C[C@H]1[C@H]2CO3 ZINC000012509716 KJ Annotated Mild C=C[C@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@H]3c4ccc(OC)cc4N[C@H]3[C@@H]3C[C@H]1[C@H]2CO3 ZINC000012509723 KJ Annotated Mild C=C[C@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@@H]3c4ccc(OC)cc4N[C@H]3[C@@H]3C[C@H]1[C@H]2CO3 ZINC000012509732 KJ Annotated Mild C[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000012726619 KJ Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000012727017 KJ Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000012727020 KJ Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000012727022 KJ Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000012727024 KJ Annotated Anodyne CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c(C/C(C)=N/O)c(Br)c(OC)c(O)c12 ZINC000012943655 KJ Annotated Mild O=C1C(C2=N[C@H](c3ccccn3)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000012960937 KJ Annotated Mild Cc1ccccc1OCc1nc2ccccc2c(=O)n1N/C=C1\C=NN=C1c1ccc(Br)cc1 ZINC000013123007 KJ Annotated Anodyne CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2 ZINC000013144748 KJ Annotated Reactive CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](C(=O)O)N2 ZINC000013144749 KJ Annotated Reactive CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](C(=O)O)N2 ZINC000013144751 KJ Annotated Reactive CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000013286703 KJ Annotated Anodyne CC1=CC(=O)c2c(c(-c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4=O)c3cccc(O)c3c2O)C1=O ZINC000013303656 KJ Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)c(O)c3-c3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(c34)[C@@H]2O)cc1 ZINC000013358397 KJ Annotated Clean Oc1ccc([C@H]2c3c(O)cc(O)c(O)c3-c3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(c34)[C@H]2O)cc1 ZINC000013358402 KJ Annotated Clean O=C(c1ccc(O)cc1O)[C@@H](Cc1ccc(O)cc1)[C@@H](Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1O ZINC000013379007 KJ Annotated Anodyne COc1cc([C@H]2Oc3c(C(C)C)cc4c(=O)cc5c(cc4c3O[C@H]2CO)C=CC(=O)C5(C)C)ccc1O ZINC000013379178 KJ Annotated Mild COc1cc([C@@H]2Oc3c(C(C)C)cc4c(=O)cc5c(cc4c3O[C@H]2CO)C=CC(=O)C5(C)C)ccc1O ZINC000013379179 KJ Annotated Mild COCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000013379252 KJ Annotated Clean COC1=C(OC)[C@]23COc4c5c(cc(c42)[C@H](OC(=O)c2ccccc2)[C@H](C)[C@H](C)CC3=CC1=O)OCO5 ZINC000013433055 KJ Annotated Mild in-vitro biogenic COC1=C(OC)C(=O)[C@@]23COc4c5c(cc(c42)[C@H](OC(=O)c2ccccc2)[C@H](C)[C@H](C)CC3=C1)OCO5 ZINC000013433139 KJ Annotated Mild CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@@H](c2ccc3c(c2)OCO3)c2cn(C)c3cc(CN)ccc23)cc1 ZINC000013436361 KJ Annotated Mild CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@H](c2ccc3c(c2)OCO3)c2cn(C)c3cc(CN)ccc23)cc1 ZINC000013436367 KJ Annotated Mild COc1ccc(-c2cccc(CNc3ccccn3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccccc1 ZINC000013436766 KJ Annotated Anodyne COc1ccc(-c2cccc(CNc3ccccn3)c2)cc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1 ZINC000013436769 KJ Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(Nc3ccccn3)cc2)c2ccccc21 ZINC000013437673 KJ Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(Nc3ccccn3)cc2)c2ccccc21 ZINC000013437677 KJ Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCCCCCNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000013437690 KJ Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCCCCCNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000013437693 KJ Annotated Anodyne COc1cc(NC(=O)Cc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1O ZINC000013439795 KJ Annotated Anodyne CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1Cc1ccc(F)cc1 ZINC000013443286 KJ Annotated Mild CCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNCCc2ccc(OC)c(OC)c2)cc1 ZINC000013451480 KJ Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455646 KJ Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455649 KJ Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(-c4cc5cc(CCCO)cc(OC)c5o4)cc3[C@@H]2CO)ccc1O ZINC000013461554 KJ Annotated Anodyne O=C1C(C2=N[C@H](c3ccccn3)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000013470705 KJ Annotated Mild Cc1ccnc(NCCCC(=O)NCC(=O)N[C@H](CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)c1 ZINC000013472618 KJ Annotated Anodyne CO/N=C(\c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000013474994 KJ Annotated Mild CCO/N=C(\c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000013474996 KJ Annotated Mild CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000013478108 KJ Annotated Anodyne CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000013478110 KJ Annotated Anodyne CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](CC(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000013478112 KJ Annotated Anodyne CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](CC(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000013478114 KJ Annotated Anodyne CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000013487884 KJ Annotated Mild O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1 ZINC000013489675 KJ Annotated Anodyne O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccccc1O)Nc1ccccc1 ZINC000013489676 KJ Annotated Mild O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccsc1)Nc1ccccc1 ZINC000013489683 KJ Annotated Anodyne Cc1cn(C)c2c(Cl)cc3c(c12)[C@H](C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1)c1ncccc1CC3 ZINC000013490765 KJ Annotated Clean Cc1cn(C)c2c(Cl)cc3c(c12)[C@@H](C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1)c1ncccc1CC3 ZINC000013490766 KJ Annotated Clean Cc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1CCC(=O)N1CCOCC1 ZINC000013494043 KJ Annotated Anodyne CCS(=O)(=O)Nc1ccc(C/N=C(\S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1 ZINC000013523870 KJ Annotated Mild CCS(=O)(=O)Nc1ccc(C/N=C(\S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1 ZINC000013523874 KJ Annotated Mild CCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(=O)CCC)=CC3=O)n1 ZINC000013531672 KJ Annotated Mild CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OCc4ccccc4)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000013531675 KJ Annotated Mild Cc1ccc(-n2cnnc2NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2S)cc1 ZINC000013533014 KJ Annotated Anodyne CCCCn1cnnc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1S ZINC000013533022 KJ Annotated Anodyne CC(C)Cn1cnnc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1S ZINC000013533035 KJ Annotated Anodyne COc1cc2cc(CO)nc(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000013535302 KJ Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3Cc3ccccc3)N2CCNC(=O)CCC2CCCCC2)cc1 ZINC000013545608 KJ Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3Cc3ccccc3)N2CCNC(=O)CCC2CCCCC2)cc1 ZINC000013545613 KJ Annotated Anodyne O=C(NCCC[C@H]1CN2C(=NC[C@@H]2Cc2ccc(O)cc2)N1CCc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000013545635 KJ Annotated Anodyne C[C@@H](CN1C2=NC[C@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1)NC(=O)CCC1CCCCC1 ZINC000013545688 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)CS[C@@H](C(=O)Nc1ccc(CP3(=O)OCC(C)CO3)cc1)C2 ZINC000013556803 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)CS[C@@H](C(=O)Nc1ccc(CP3(=O)OCCCCO3)cc1)C2 ZINC000013556807 KJ Annotated Anodyne CC1COP(=O)(Cc2ccc(NC(=O)[C@H]3Cc4cc5c(cc4C(=O)[C@H](C)S3)OCO5)cc2)OC1 ZINC000013556828 KJ Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)CS2)OCCO4)cc1)OCC ZINC000013556834 KJ Annotated Anodyne CCCC/C(=C\Cn1oc(=O)n(CC(=O)O)c1=O)c1cccc(OCc2cc(Cl)cc(Cl)c2)c1 ZINC000013558177 KJ Annotated Anodyne CC(=O)Nc1ccc(-c2nc(N3CCN(CCc4ccccc4)CC3)c3c(n2)c(C#N)c2n3CCCC2)cc1 ZINC000013559637 KJ Annotated Mild COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C3CCCC3)N(C)C)c2=O)c1F ZINC000013580604 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C3CCCC3)N(C)C)c2=O)c1F ZINC000013580606 KJ Annotated Anodyne COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CCN(Cc2cncn2Cc2ccc(C)cc2)CC1 ZINC000013586736 KJ Annotated Anodyne CNC(=O)c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1 ZINC000013587509 KJ Annotated Bother CNC(=O)c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1 ZINC000013587510 KJ Annotated Bother CNC(=O)c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1 ZINC000013587515 KJ Annotated Bother CNC(=O)c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1 ZINC000013587516 KJ Annotated Bother CN(C)C(=O)c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1 ZINC000013587517 KJ Annotated Bother CN(C)C(=O)c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1 ZINC000013587518 KJ Annotated Bother N#Cc1ccc2cc1Oc1ccc(C#CC3CCCCC3)c(c1)CN1CCN(CC1=O)Cc1cncn1C2 ZINC000013589246 KJ Annotated Mild O=C(O)CCNc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000013589481 KJ Annotated Bother Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589728 KJ Annotated Anodyne NCCCC[C@H](O[P@](=O)(O)CCCCc1ccccc1)C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O ZINC000013600000 KJ Annotated Anodyne NCCCC[C@H](O[P@](=O)(O)CCCCc1ccccc1)C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)O ZINC000013600004 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](c3ccccc3)N(C)C)c2=O)c1F ZINC000013609599 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](c3ccccc3)N(C)C)c2=O)c1F ZINC000013609602 KJ Annotated Anodyne Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1Br ZINC000013609698 KJ Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000013634612 KJ Annotated Anodyne O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634651 KJ Annotated Anodyne O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634691 KJ Annotated Anodyne O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634745 KJ Annotated Anodyne O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634761 KJ Annotated Anodyne Cc1ccc(C(=O)N2CCN(Cc3cc[n+]([O-])cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643438 KJ Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C([C@@H]2CC(c3c(Cl)cccc3Cl)=NO2)=C1c1ccc(OC)cc1 ZINC000013648854 KJ Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C([C@H]2CC(c3c(Cl)cccc3Cl)=NO2)=C1c1ccc(OC)cc1 ZINC000013648856 KJ Annotated Anodyne CCO[C@H]1C(c2c(C)cc(C)cc2C)=NO[C@@H]1C1=C(c2ccc(OC)cc2)C(N(CC)CC)=NS1(=O)=O ZINC000013648877 KJ Annotated Anodyne CCO[C@@H]1C(c2c(C)cc(C)cc2C)=NO[C@@H]1C1=C(c2ccc(OC)cc2)C(N(CC)CC)=NS1(=O)=O ZINC000013648878 KJ Annotated Anodyne CCO[C@H]1C(c2c(C)cc(C)cc2C)=NO[C@H]1C1=C(c2ccc(OC)cc2)C(N(CC)CC)=NS1(=O)=O ZINC000013648880 KJ Annotated Anodyne CCO[C@@H]1C(c2c(C)cc(C)cc2C)=NO[C@H]1C1=C(c2ccc(OC)cc2)C(N(CC)CC)=NS1(=O)=O ZINC000013648882 KJ Annotated Anodyne CCN(CC)c1ccc(N2CCN(C(=O)[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)nc1N(CC)CC ZINC000013651281 KJ Annotated Anodyne CCN(CC)c1ccc(N2CCN(C(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)nc1N(CC)CC ZINC000013651282 KJ Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 ZINC000013651355 KJ Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 ZINC000013651356 KJ Annotated Anodyne O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013656753 KJ Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013657020 KJ Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013657041 KJ Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2C(=O)[C@@]32CC(c3cccnc3)=NO2)s1 ZINC000013660545 KJ Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2C(=O)[C@]32CC(c3cccnc3)=NO2)s1 ZINC000013660547 KJ Annotated Anodyne COc1cc(/C=C/C(=O)OCCN(C)CCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000013676194 KJ Annotated Anodyne CC(C)OCCCN1C=C2C(=O)[C@@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000013687515 KJ Annotated Mild CC(C)OCCCN1C=C2C(=O)[C@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000013687520 KJ Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(Cc3ccco3)C=C2C1=O ZINC000013687535 KJ Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(Cc3ccco3)C=C2C1=O ZINC000013687539 KJ Annotated Mild C=CCN1C=C2C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C(c3ccccc3)=C2C=C1CCCC(=O)OC ZINC000013687553 KJ Annotated Mild C=CCN1C=C2C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C(c3ccccc3)=C2C=C1CCCC(=O)OC ZINC000013687557 KJ Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1C1CC1 ZINC000013687562 KJ Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1C1CC1 ZINC000013687567 KJ Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CC1CC1 ZINC000013687571 KJ Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CC1CC1 ZINC000013687576 KJ Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCCO ZINC000013687675 KJ Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCCO ZINC000013687680 KJ Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCOC ZINC000013687685 KJ Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCOC ZINC000013687689 KJ Annotated Mild CN(C)/C=N/CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740063 KJ Annotated Mild CC[C@H](c1cccc(C(=O)N[C@H](C(=O)NCc2ccccn2)[C@H](C)CC)c1)c1c(O)oc2ccccc2c1=O ZINC000013743248 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1cccc([C@@H](CC)c2c(O)oc3ccccc3c2=O)c1)C(=O)NCc1ccccn1 ZINC000013743249 KJ Annotated Anodyne CC[C@@H](c1cccc(C(=O)N[C@H](C(=O)NCc2ccccn2)[C@H](C)CC)c1)c1c(O)oc2ccccc2c1=O ZINC000013743250 KJ Annotated Anodyne CC[C@@H](c1cccc(C(=O)N[C@H](C(=O)NCc2ccccn2)[C@@H](C)CC)c1)c1c(O)oc2ccccc2c1=O ZINC000013743251 KJ Annotated Anodyne Cc1cc(C(C)(C)C)c(O/C(O)=N/S(=O)(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c(C(C)(C)C)c1 ZINC000013747495 KJ Annotated Mild Cc1cc(C(C)(C)C)c(O/C(O)=N/S(=O)(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)c(C(C)(C)C)c1 ZINC000013747499 KJ Annotated Mild COc1ccc2c(O)c([C@@H](c3cccc(NS(=O)(=O)c4ccc(C#N)cc4)c3)C3CC3)c(=O)oc2c1 ZINC000013756552 KJ Annotated Mild O=C(CC1CCNCC1)N1CCN([C@@H]2c3ccc(Cl)cc3C=Cc3cc(Br)cnc32)CC1 ZINC000013778957 KJ Annotated Anodyne O=C(CC1CCNCC1)N1CCN([C@H]2c3ccc(Cl)cc3C=Cc3cc(Br)cnc32)CC1 ZINC000013778959 KJ Annotated Anodyne COc1ccc(CCN(CCC[C@@H]2Oc3cc4c(cc3NC2=O)OCCO4)Cc2ccccc2)cc1OC ZINC000013780774 KJ Annotated Anodyne COc1ccc(CCN(CCC[C@H]2Oc3cc4c(cc3NC2=O)OCCO4)Cc2ccccc2)cc1OC ZINC000013780775 KJ Annotated Anodyne CC(=O)Nc1ccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N32)cc1 ZINC000013782981 KJ Annotated Anodyne CC(=O)Nc1ccc([C@@H]2[C@@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N32)cc1 ZINC000013782982 KJ Annotated Anodyne CC(=O)Nc1ccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N23)cc1 ZINC000013782983 KJ Annotated Anodyne CC(=O)Nc1ccc([C@@H]2[C@@H](C)CC[C@@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N23)cc1 ZINC000013782984 KJ Annotated Anodyne O=C([C@@H]1CCCN1)N1CCC[C@H]1P(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000013795543 KJ Annotated Anodyne O=C([C@@H]1CCCN1)N1CCC[C@@H]1P(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000013795546 KJ Annotated Anodyne COC(=O)c1c(C(=O)N2CCCC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000013796695 KJ Annotated Anodyne COc1ccc(OC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC ZINC000013799587 KJ Annotated Anodyne COc1ccc(OC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC ZINC000013799589 KJ Annotated Anodyne O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1 ZINC000013813512 KJ Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1 ZINC000013813893 KJ Annotated Anodyne aggregator C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(Cc3ccc4c(c3)OCO4)C=C2C1=O ZINC000013817183 KJ Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(Cc3ccc4c(c3)OCO4)C=C2C1=O ZINC000013817187 KJ Annotated Mild CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)c1cc(I)ccc1F)CC2 ZINC000013817625 KJ Annotated Anodyne N#Cc1cccc(CN2CCC3(CC2)NC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)c1 ZINC000013817772 KJ Annotated Mild COc1cc(N/C(=N/c2cccc(C/N=C(\NC#N)Oc3ccccc3)c2)NC#N)ccc1-c1cnco1 ZINC000013818923 KJ Annotated Mild CCOC(=O)N1CCC(C(c2cc(C)c(OC)c(C(=O)OC)c2)c2cc(C)c(OC)c(C(=O)OC)c2)CC1 ZINC000013838374 KJ Annotated Anodyne COC(=O)c1cc(C(c2cc(C)c(OC)c(C(=O)OC)c2)C2CCN(C(=O)OC)CC2)cc(C)c1OC ZINC000013838377 KJ Annotated Anodyne N[C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(C(=O)c2ccccc2)c1 ZINC000013863792 KJ Annotated Mild N[C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)c(C(=O)c2ccccc2)c1 ZINC000013863793 KJ Annotated Mild N[C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2cccc(Cl)c2Cl)c(C(=O)c2ccccc2)c1 ZINC000013863796 KJ Annotated Mild N[C@@H](CS)C(=O)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000013863801 KJ Annotated Mild Cc1cccc(CNc2ccc([C@@H](CC(N)=O)NC(=O)c3cccc(Br)c3)cc2[N+](=O)[O-])c1 ZINC000013878854 KJ Annotated Bother Cc1cccc(CNc2ccc([C@H](CC(N)=O)NC(=O)c3cccc(Br)c3)cc2[N+](=O)[O-])c1 ZINC000013878855 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000013878864 KJ Annotated Clean NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000013878865 KJ Annotated Clean NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000013878884 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000013878885 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013878890 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013878891 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000013878892 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000013878893 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000013878908 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000013878909 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000013878910 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000013878911 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000013878920 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000013878921 KJ Annotated Bother COc1ccc(CCNc2ccc([C@@H](CC(N)=O)NC(=O)Cc3cccc4ccccc34)cc2[N+](=O)[O-])cc1 ZINC000013878928 KJ Annotated Bother COc1ccc(CCNc2ccc([C@H](CC(N)=O)NC(=O)Cc3cccc4ccccc34)cc2[N+](=O)[O-])cc1 ZINC000013878929 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013878930 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013878931 KJ Annotated Bother Cc1ccccc1CNc1ccc([C@@H](CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878948 KJ Annotated Bother Cc1ccccc1CNc1ccc([C@H](CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878949 KJ Annotated Bother CC(C)CCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000013885301 KJ Annotated Anodyne O=C(O)C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000013976909 KJ Annotated Anodyne CCCCn1nc(C[C@@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1OCCc1ccc2c(n1)NCCC2 ZINC000013976917 KJ Annotated Anodyne CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc21 ZINC000013982259 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H]2[C@@H](C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]23C)[C@@H]2CC[C@H]([C@H](C)[C@H]3C[C@]3(C)[C@H](C)C(C)C)[C@]21C ZINC000135605220 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H]2[C@@H]([C@H](O)[C@H]3O[C@]34C[C@@H](O)CC[C@]24C)[C@@H]2CC[C@H]([C@H](C)[C@H]3C[C@]3(C)[C@H](C)C(C)C)[C@]21C ZINC000135611523 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H]2[C@@H](C[C@H]3O[C@]34C[C@@H](O)C[C@H](O)[C@]24C)[C@@H]2CC[C@H]([C@H](C)[C@H]3C[C@]3(C)[C@H](C)C(C)C)[C@]21C ZINC000135613172 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2C[C@]2(C)[C@H](C)C(C)C)[C@@]2(C)[C@H](OC(C)=O)[C@@H](O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@H]12 ZINC000135651169 KJ Annotated Anodyne C=C(C)CCC[C@@H](COS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000135660320 KJ Annotated Mild CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2C[C@]2(C)[C@H](C)C(C)C)[C@@]2(C)[C@H](O)[C@@H](OC(C)=O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@H]12 ZINC000135663618 KJ Annotated Anodyne C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)[C@H](C(=O)OC)C=4C3=NC(=C2)[C@@H](C)[C@@H]3CCC(=O)O)C(CC)=C1C ZINC000135753536 KJ Annotated Anodyne CCCCCCCc1cc(O)cc(OC(=O)c2c(CCCCCCC)cc(O)cc2O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)c1 ZINC000135785378 KJ Annotated Mild O=C([C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000135822546 KJ Annotated Anodyne O=C([C@@H]1[C@@H](C(=O)N2CCCCC2)[C@H](c2ccc3c(c2)OCO3)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000135825917 KJ Annotated Anodyne C=CC1=C(C)C2=CC3=NC(=C(CC(=O)O)C4=NC(=C(C)C4=C(O)O)C=c4[nH]c(c(C)c4CC)=CC1=N2)[C@@H](CCC(=O)O)[C@@H]3C ZINC000135885345 KJ Annotated Anodyne CCCCO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]54[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O ZINC000135916819 KJ Annotated Anodyne C=C(C)[C@H](O)CC1=C2O[C@@H](C(C)(C)O)C[C@]23C[C@@H](/C=C/C(C)(C)O)C(C)(C)[C@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000136032509 KJ Annotated Mild CC(C)(C)OC(=O)N1[C@H]2C3[C@@H]4N(C(=O)OC(C)(C)C)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000136092638 KJ Annotated Anodyne Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(NC3CCNCC3)nc2N(C)C1=O ZINC000136192709 KJ Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C/C(=O)C/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000136226056 KJ Annotated Mild CC(=O)OC[C@H]1O[C@@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(\C)CC/C=C(\C)CC2)[C@H](O)[C@@H](OC(C)=O)[C@H]1O ZINC000136251704 KJ Annotated Anodyne C=C(C)Cn1c(SCC(=O)NN/C=C2\C(=O)C=Cc3ccccc32)nnc1-c1ccc(Br)cc1 ZINC000136274490 KJ Annotated Reactive O=C([C@@H]1C=C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000136294155 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(\C)CC/C=C(\C)CC2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000136335856 KJ Annotated Anodyne CC[C@H]1O[C@@H]2C[C@@H](C=C=CBr)O[C@@H]2C[C@@H](OC(C)=O)[C@@H](Br)C[C@@H]1Br ZINC000136397310 KJ Annotated Reactive CC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CN([C@@H](C(=O)O)C(C)C)C5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C ZINC000136409268 KJ Annotated Anodyne CCOc1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000136452771 KJ Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 ZINC000136486935 KJ Annotated Mild CC(=O)O[C@H]1C[C@]2(C)C(=CC[C@H]2c2ccoc2)[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)OO[C@]4(O)C[C@H](OC(C)=O)[C@]3(C4)[C@@H]12 ZINC000136669496 KJ Annotated Reactive COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3CCC[C@@H](C[C@H](O)CC2)N13 ZINC000136749877 KJ Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](O)[C@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N13 ZINC000136749952 KJ Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000136750055 KJ Annotated Anodyne CO[C@@H]1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C(=O)O)CC[C@@]2(C)[C@]2(C)[C@@H](O)C[C@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@]3(C)[C@@H]12 ZINC000136755068 KJ Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C(=O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000136775888 KJ Annotated Anodyne O=C(/C=C/c1ccc(O)cc1)NCCc1c([C@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)cc3)[C@H]2O)[nH]c2cc(O)ccc12 ZINC000136784344 KJ Annotated Anodyne COc1ccc2c(c1)[n+](=O)c(C(=O)C/C(=N/OCCCc1ccccc1)C(=O)NC13CC4CC(CC(C4)C1)C3)c(C)n2O ZINC000136794454 KJ Annotated Mild Cc1cc2c(cc1C)[n+](=O)c(C(=O)C/C(=N/NC(=O)c1ccccc1O)C(=O)Nc1ccccc1C(C)C)c(C)n2O ZINC000136794938 KJ Annotated Reactive COC(=O)c1c2c(c3ccccc3c1O)O[C@@]13[C@H]2Oc2c(c(C(=O)OC)c(O)c4ccccc24)[C@@H]1C(=O)OC3(C)C ZINC000136804168 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(\C)CC/C=C(\C)CC2)[C@H](O)[C@@H](O)[C@H]1OC(C)=O ZINC000136811783 KJ Annotated Anodyne O=C(OCC(F)(F)F)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@@H]1c1ccco1 ZINC000136831260 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@](O)(C=C[C@H](NC(=O)c5ccccc5)[C@@]4(C)CO)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000136841439 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000136889356 KJ Annotated Anodyne CC[C@H]1C(=O)N[C@@H](Cc2[nH]c(/C=C3/N=C(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@@H]1C ZINC000137018355 KJ Annotated Anodyne C/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4O[C@@H]4N(C)c5cccc6c5[C@@]42CCN([C@@H]6[C@H]2OC2(C)C)[C@@H]13 ZINC000137027410 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C\C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O ZINC000137041564 KJ Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@H](c1cccc3ccccc13)N(C)[C@H]2c1cccc2ccccc12 ZINC000137070092 KJ Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc3ccccc13)N(C)[C@H]2c1cccc2ccccc12 ZINC000137070128 KJ Annotated Anodyne C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@](/C=C/C=C/CCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000137076221 KJ Annotated Mild C[C@H](O)CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3[C@@]4(CCC[C@@]32C)C[C@@H]4C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@@H]3C)[C@@]12C ZINC000137081289 KJ Annotated Anodyne CC(=O)OC[C@@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@]12CC[C@@](C)(C[C@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000137092220 KJ Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(C(=O)O)[C@@H](O)CC[C@]21C ZINC000137137966 KJ Annotated Anodyne Cc1cc(=O)c(O)cc2c1C[C@H]1C[C@H](O)[C@@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@]1(C)O2 ZINC000137193360 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@H]3[C@H]4O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]4(C)[C@@H](CC(=O)OC)[C@@]1(C)[C@@H]32 ZINC000137196121 KJ Annotated Anodyne CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@H]5COC(=O)C5)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000137196128 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/CC(C)(C)[C@H](OC(C)=O)C[C@@H](OC(=O)c3ccccc3)/C(C)=C/[C@@H]12 ZINC000137212089 KJ Annotated Mild COc1cc(OC)c(CC[C@@]2(C3CCCC3)CC(=O)[C@@H](Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000137257130 KJ Annotated Anodyne COc1cc(OC)c(CC[C@@]2(C3CCCC3)CC(=O)[C@H](Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000137257196 KJ Annotated Anodyne COc1cc(OC)c(CC[C@]2(C3CCCC3)CC(=O)[C@@H](Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000137257252 KJ Annotated Anodyne COc1cc(OC)c(CC[C@]2(C3CCCC3)CC(=O)[C@H](Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000137257311 KJ Annotated Anodyne CC(C)[C@H]1NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)c2csc1n2 ZINC000137270837 KJ Annotated Anodyne C=C(C)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000137284031 KJ Annotated Mild CO[C@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000137298538 KJ Annotated Anodyne CO[C@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](OCc2ccccc2)/C=C/[C@@H]1C ZINC000137298588 KJ Annotated Anodyne CC[C@H]1[C@H]2[C@H]([C@H](C)c3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C/C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@@]21C ZINC000137319669 KJ Annotated Mild COc1c2c(c3c(c1OC)[C@@]1(OC)C4=C(C(=O)C[C@@]1(OC)O3)[C@H](O)C[C@@H](c1ccccc1)O4)[C@H](O)C[C@@H](c1ccccc1)O2 ZINC000137323057 KJ Annotated Mild C/C=C(/C)C(=O)Oc1ccc([C@H]2O[C@@H](O)[C@@H]3[C@@H](c4ccc(OC)c(OC(=O)/C(C)=C\C)c4)OC[C@H]23)cc1OC ZINC000137362358 KJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2C3[C@@H]4N(C(=O)OC(C)(C)C)[C@@H]5C([C@H]1C5(CO)[C@@H]3c1ccccc1)[C@H](c1ccccc1)C24CO ZINC000137408065 KJ Annotated Anodyne Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1ccc(C#N)cc1 ZINC000137426337 KJ Annotated Mild COc1cc2cc(c1Cl)NC(=O)/C=C/C(C)=C/[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000137445047 KJ Annotated Anodyne C[C@@H]1C(=O)O[C@@]2(C[C@@H](C)[C@H]3CC(=O)[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)C[C@@H](O)[C@]6(C)[C@H]5C[C@@H](O2)[C@]34C)[C@H]1C ZINC000137454490 KJ Annotated Anodyne COc1cc(/C=C2/C(=O)N(CCc3ccc(O)cc3)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)NCCc2ccc(O)cc2)ccc1O ZINC000137495905 KJ Annotated Anodyne C=C(Br)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000137528365 KJ Annotated Mild COC(=O)c1c(O)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1C=C[C@]2(C4)C(=C(O)c3c(O)cc(C)cc3[C@@H]2OC(C)=O)C1=O ZINC000137536141 KJ Annotated Mild COC(=O)C[C@@H]1[C@@H](C)c2oc(C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC(=O)O)cc2[C@H](O)C1(C)C ZINC000137758248 KJ Annotated Anodyne COc1cc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)[C@H](O)Cc2c-3cc(OC)c(OC)c2OC)ccc1O ZINC000137779056 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1cccc(-n2ncc3cc(O[C@H](c4ccc5c(c4)OCOC5)[C@H](C)NC(=O)C(C)(F)F)ccc32)c1 ZINC000137849600 KJ Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccc3ccccc3c1)N(C)[C@H]2c1ccc2ccccc2c1 ZINC000137876388 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cc7ccccc7cn6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137888423 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7n6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137888620 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ncccc7c6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137889304 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cnc7ccccc7c6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137889957 KJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1)c1ccc2c(c1)OCOC2 ZINC000137899649 KJ Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc[nH]3)c3ncc(N(C)CCN(C)C)nc23)c1Cl ZINC000137972938 KJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCC[C@@H]3O)c2)c1)c1ccc2c(c1)OCOC2 ZINC000137975534 KJ Annotated Anodyne CO[C@H]1CN(CC=C(C)C)C[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 ZINC000138119431 KJ Annotated Mild CCOC(=O)C1=C(CN2CCSCC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138136686 KJ Annotated Anodyne CCOC(=O)C1=C(CN2CCSCC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138136794 KJ Annotated Anodyne O=C(OC[C@H]1O[C@@H]2O[C@@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@@H]2[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000138143993 KJ Annotated Bother CCCN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(F)cc3Cl)N=C(c3c(F)cc(F)cc3F)N2)CC1 ZINC000138153366 KJ Annotated Anodyne CCCN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(F)cc3Cl)N=C(c3c(F)cc(F)cc3F)N2)CC1 ZINC000138153468 KJ Annotated Anodyne CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138174253 KJ Annotated Anodyne CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138174363 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)CCC=C(COC(=O)/C=C/c3ccccc3)[C@H]2[C@H](OC(C)=O)[C@@H]2CC(=O)[C@@]3(C)O[C@]13C2(C)C ZINC000138247404 KJ Annotated Anodyne COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H](N[C@H](C)c3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138278003 KJ Annotated Anodyne CCCCCC(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000138284641 KJ Annotated Mild COc1ccc(CC2CCSCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000138298194 KJ Annotated Anodyne CCCCCC[C@H](/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@]12O)CO ZINC000138341503 KJ Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(CO)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000138372759 KJ 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]1OC(C)=O ZINC000138461927 KJ Annotated Reactive CO[C@@H]1O[C@H]2[C@H](OC(=O)/C=C\c3ccccc3)[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H]3[C@H](OC(C)=O)CC[C@@H]1[C@]23C ZINC000138575638 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@@H]1C ZINC000138588785 KJ Annotated Anodyne COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(N)=O)C(C)C)OC1=O ZINC000138607021 KJ Annotated Anodyne Cc1cc(C)n2nc(C[C@@H]3C(=O)C[C@@](CCc4ccc(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nc2n1 ZINC000138644918 KJ Annotated Mild Cc1cc(C)n2nc(C[C@H]3C(=O)C[C@@](CCc4ccc(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nc2n1 ZINC000138645044 KJ Annotated Mild Cc1cc(C)n2nc(C[C@@H]3C(=O)C[C@](CCc4ccc(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nc2n1 ZINC000138645174 KJ Annotated Mild Cc1cc(C)n2nc(C[C@H]3C(=O)C[C@](CCc4ccc(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nc2n1 ZINC000138645298 KJ Annotated Mild C=C1[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H](O)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@H]1OCC(C)C ZINC000138936225 KJ Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@@H](OCCO)[C@H]1OCCCO ZINC000138960078 KJ Annotated Mild in-vivo CCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1C[C@H](C)C(Cl)(Cl)Cl ZINC000139137815 KJ Annotated Anodyne COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN(C)C3CCCCC3)nc2N)cc1I ZINC000139141141 KJ Annotated Anodyne COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CCC(C)CC3)nc2N)cc1I ZINC000139141409 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](C(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000139219485 KJ Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Br)C(=O)[C@H](Br)[C@H]2O)O[C@H]1OC ZINC000139359541 KJ Annotated Reactive CC(C)(C(=O)N1CCC1)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 ZINC000139536028 KJ Annotated Anodyne Cc1ccccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)CCc1cccnc1 ZINC000139546199 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccncc3C)ccc21 ZINC000139546563 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccco3)ccc21 ZINC000139556748 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccccc3)ccc21 ZINC000139556879 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3cccc(C#N)c3)ccc21 ZINC000139557008 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccc(C#N)cc3)ccc21 ZINC000139568557 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3cccs3)ccc21 ZINC000139580456 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3ccncc3)ccc21 ZINC000139580618 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4sccc4c3=O)Cc3cccnc3)ccc21 ZINC000139580967 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3cnccc3C)ccc21 ZINC000139592693 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cccnc3C)ccc21 ZINC000139592833 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cnccc3C)ccc21 ZINC000139592984 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3ccc(C)nc3C)ccc21 ZINC000139601915 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)C(=O)c3ccccc3)ccc21 ZINC000139602088 KJ Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)S(=O)(=O)c3ccccc3)ccc21 ZINC000139612081 KJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(CCN5CCCC5)s4)ccn23)c1 ZINC000139659345 KJ Annotated Anodyne COC(=O)[C@@]12C(=O)C3=C([C@@H](C)[C@]1(C)CC[C@H]2C)[C@H](O)CC[C@@H]3C1=CC(=O)[C@@]2(C(=O)OC)[C@H](C)CC[C@@]2(C)[C@@H]1C ZINC000139663971 KJ Annotated Mild COCCNC(=O)[C@@H](Oc1cc2c(cc1OC)ncc1c2c(-c2ccc(C#N)cc2)nn1C)c1ccc(F)cc1 ZINC000139666998 KJ Annotated Mild COCCNC(=O)[C@H](Oc1cc2c(cc1OC)ncc1c2c(-c2ccc(C#N)cc2)nn1C)c1ccc(F)cc1 ZINC000139667140 KJ Annotated Mild Nc1nc(-c2ccn3c(-c4cc(NC(=O)NCC(F)(F)F)cc(C(F)(F)F)c4)cnc3c2)ncc1F ZINC000139670944 KJ Annotated Mild CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2)s1 ZINC000139674273 KJ Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cccc(C(F)(F)F)c3F)n2)C[C@@H](N)[C@@H]1O ZINC000139688166 KJ Annotated Anodyne Cc1ccc(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)c(F)c1NC(=O)c1cc2ccccc2s1 ZINC000139711816 KJ Annotated Anodyne CN1C(=O)CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139758405 KJ Annotated Anodyne Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1cc(Nc2cc3n(n2)CCN(C)C3)c(=O)[nH]n1 ZINC000139769323 KJ Annotated Anodyne C=C(Cl)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000139772568 KJ Annotated Mild C=C(CO)[C@@H](CC[C@]1(C)O[C@@H]([C@](C)(O)[C@@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)C[C@H]1O)OC ZINC000139883779 KJ Annotated Reactive C=C(CO)[C@@H]1[C@H](O)[C@H](O)[C@H]2[C@]3(C)CC[C@H]([C@H](C)Cc4cc(C)co4)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O ZINC000139917081 KJ Annotated Mild COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-c1cnn(C)c1 ZINC000139917838 KJ Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000014089220 KJ Annotated Mild CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)Cc1ccccc1 ZINC000014096223 KJ Annotated Anodyne CC(C)CNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000014113480 KJ Annotated Anodyne CC(C)CC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000014113484 KJ Annotated Anodyne Nc1ccn([C@H]2S[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)c(=O)n1 ZINC000014140669 KJ Annotated Anodyne Nc1nccc2ccc(OC[C@@H](Cc3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc12 ZINC000014166324 KJ Annotated Anodyne Nc1nccc2ccc(OC[C@@H](c3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc12 ZINC000014166328 KJ Annotated Anodyne CCCCCCCC(=O)OC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000014243287 KJ Annotated Mild CCCCCCCC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000014243288 KJ Annotated Mild C[C@@H]1CC(C)(C)N[C@@H](CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)O1 ZINC000014243557 KJ Annotated Reactive C[C@H]1CC(C)(C)N[C@@H](CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)O1 ZINC000014243558 KJ Annotated Reactive C[C@@H]1CC(C)(C)N[C@H](CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)O1 ZINC000014243559 KJ Annotated Reactive C[C@H]1CC(C)(C)N[C@H](CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)O1 ZINC000014243560 KJ Annotated Reactive C[C@@H]1CC(C)(C)N[C@@H](C[C@@H](O[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)c2ccccc2)O1 ZINC000014243574 KJ Annotated Reactive C[C@H]1CC(C)(C)N[C@@H](C[C@@H](O[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)c2ccccc2)O1 ZINC000014243575 KJ Annotated Reactive C[C@@H]1CC(C)(C)N[C@H](C[C@@H](O[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)c2ccccc2)O1 ZINC000014243576 KJ Annotated Reactive C[C@H]1CC(C)(C)N[C@H](C[C@@H](O[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)c2ccccc2)O1 ZINC000014243577 KJ Annotated Reactive CCCc1cc(C(=O)O)ccc1O[C@H](C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000014285306 KJ Annotated Anodyne COC(=O)c1[nH]c2c(c1C(=O)OC)[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000014286056 KJ Annotated Mild CCCCCCCCCC[C@H](C)[C@@H](O)[C@@H](C)/C=C(C)/C=C(\C)C(=O)[C@H](C)/C=C(\C)C(=O)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)O ZINC000014299480 KJ Annotated Mild O=C(C[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccncc1)NC1CC1 ZINC000014299666 KJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)NC(=O)[C@@H](c2ccc3c(c2)OCO3)N2N=C(c3ccc(Cl)cc3)CCC2=O)cc1 ZINC000014300098 KJ Annotated Anodyne CCCCC[C@H](O)C[C@H]1CC(=O)N(CCCCN2CCCN(C)[C@@H](CCCCC)CC2=O)CCCN1C ZINC000014441431 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2O)[C@H]1[C@@H](O)c1ccc(O)cc1 ZINC000140018223 KJ Annotated Anodyne CCOC(=O)N=[S@@](=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 ZINC000140039184 KJ Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](COC(=O)CC)O[C@H](O)[C@@H]1NC(C)=O ZINC000140045428 KJ Annotated Mild COc1cc(O)cc2c1[C@H](c1ccc(O)cc1)[C@H]([C@@H]1C(=O)Oc3cc(O)cc(OC)c3[C@@H]1c1ccc(O)cc1)C(=O)O2 ZINC000140083969 KJ Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000140154257 KJ Annotated Anodyne CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(C)=O)[C@@H](C(C)=O)[C@H](C=O)[C@@]3(C)C(=O)C[C@@H]12 ZINC000140168980 KJ Annotated Mild CCCCCCCCC/C=C\C=C/C=C\C(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C ZINC000140203466 KJ Annotated Mild CCCCCCCCC/C=C/C=C/C=C\C(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C ZINC000140203923 KJ Annotated Mild N#Cc1cc(Cl)cc(Oc2c(F)c(CC(=O)N3CCc4ccccc4C3)[nH]c(=O)c2Br)c1 ZINC000140220470 KJ Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@H](O)[C@@H](O)[C@@H](OC)C(=O)N[C@H]1CCCCN(C)C1=O ZINC000140231709 KJ Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)/C=C(\C)C(=O)c3ccc([nH]3)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000140232250 KJ Annotated Mild NCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000140234066 KJ Annotated Anodyne CCCc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc([C@@H](O)CC)cc(O)c1C3=O)C2=O ZINC000140268271 KJ Annotated Clean CC(=O)OC[C@H]1O[C@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](O)C=C(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000140286162 KJ Annotated Anodyne CC(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140321532 KJ Annotated Anodyne CC(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140321703 KJ Annotated Anodyne CCN(C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 ZINC000140365967 KJ Annotated Anodyne CC/C=C/C[C@H](Br)[C@H](C[C@H]1O[C@@H](OC=C=CBr)C[C@H]1OC(C)=O)OC(C)=O ZINC000140388704 KJ Annotated Reactive CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 ZINC000140413467 KJ Annotated Anodyne CC(=O)O[C@]1(C[C@@H]2CC[C@]3(CO)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@H](Br)C(C)(C)C1 ZINC000140449068 KJ Annotated Reactive CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3O[C@@H]4OC(=O)C[C@@]4(O3)[C@H](OC(C)=O)C[C@H]21 ZINC000140464132 KJ Annotated Anodyne C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@H](CCC(=C)[C@@](C)(O)CO)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000140477071 KJ Annotated Mild C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(C(F)(F)F)ccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000140495527 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H](C[C@@H](O)CCCCCCCCc2ccc3c(c2)OCO3)O[C@@]2(C1)C[C@@H]1OC(=O)C=C[C@@H]1O2 ZINC000140546637 KJ Annotated Anodyne O=C1O[C@]23Cc4ccccc4[C@H]1[C@H](c1ccccc1)[C@]2(Cc1ccccc1)OC(=O)[C@]3(O)Cc1ccccc1 ZINC000140549781 KJ Annotated Anodyne C/C=C(/C)C(=O)OCc1nccc2c1C(=O)C(OC1=C(C)C(=O)c3ccnc(COC(=O)/C(C)=C\C)c3C1=O)=C(C)C2=O ZINC000140575112 KJ Annotated Mild CO[C@@H]1O[C@H]2[C@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H]3[C@H](OC(C)=O)CC[C@@H]1[C@]23C ZINC000140575636 KJ Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cccc[n+]2[O-])s1 ZINC000140608865 KJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)OC)C1)O2 ZINC000140716417 KJ Annotated Mild C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC(C)=O)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000140720776 KJ Annotated Mild C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](OC(C)=O)C1)O2 ZINC000140722136 KJ Annotated Mild CCCCCCCCN(C[C@@H](CCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(C)=O)C(C)=O ZINC000140739150 KJ Annotated Mild investigational CCCCCCCCN(C[C@H](CCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(C)=O)C(C)=O ZINC000140739334 KJ Annotated Mild investigational C[C@H](O)CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3[C@@]4(CCC[C@@]32C)C[C@@H]4C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@H]3C)[C@@]12C ZINC000140740034 KJ Annotated Anodyne CC(C)(O)[C@H](O)CC[C@]1(C)C=CC[C@@](C)([C@H]2CC[C@H]3OC([C@]4(C)CC[C@@H](O)C(C)(C)O4)=CC[C@]3(C)O2)O1 ZINC000140754368 KJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](OC)C1)O2 ZINC000140775911 KJ Annotated Mild CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)C/C(=C\C(=O)N1C[C@H](O)CC1=O)OC)OC ZINC000140802337 KJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(O)c(OC)c2OC)C[C@@H](C)[C@@]1(C)O ZINC000140845182 KJ Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000141113128 KJ Annotated Anodyne C/C1=C/[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23c2ccc([nH]2)C(=O)C1=O ZINC000141348240 KJ Annotated Mild CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000141531178 KJ Annotated Anodyne Nc1ccn([C@H]2S[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(=O)n1 ZINC000141594059 KJ Annotated Anodyne COc1ccc(C(=O)N[C@@H](c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)C2CC2)cc1Cl ZINC000141654615 KJ Annotated Anodyne CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1 ZINC000141657100 KJ Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1 ZINC000141659520 KJ Annotated Anodyne CN1CCc2nc(NC(=O)c3cccc([C@@H]4CCCN(C(=O)Nc5cccc(C#N)c5)C4)c3)sc2C1 ZINC000141660115 KJ Annotated Anodyne CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN(C(=O)Nc5cccc(C#N)c5)C4)c3)sc2C1 ZINC000141660319 KJ Annotated Anodyne O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)cc2)c1 ZINC000141661154 KJ Annotated Anodyne O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)c1 ZINC000141714126 KJ Annotated Anodyne Cc1c(NS(C)(=O)=O)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]2C(=O)NC(C)(C)C ZINC000141836778 KJ Annotated Anodyne Cc1c(NS(C)(=O)=O)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]2C(=O)NC(C)(C)C ZINC000141836973 KJ Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N1CCCC1)CC2 ZINC000141841915 KJ Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N1CCCC1)CC2 ZINC000141842139 KJ Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N1CCCC1)CC2 ZINC000141842373 KJ Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N1CCCC1)CC2 ZINC000141842590 KJ Annotated Anodyne O=C(c1cnccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000141870249 KJ Annotated Anodyne O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000141892861 KJ Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)(C1)[C@H]23 ZINC000141900142 KJ Annotated Anodyne O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 ZINC000141930785 KJ Annotated Anodyne Cc1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)c(C)s1 ZINC000141965806 KJ Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2ccccn2)C1 ZINC000141978729 KJ Annotated Anodyne NCCCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)-c2coc(n2)-c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000142034401 KJ Annotated Anodyne COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(Oc4ccccc4)c2)n3[C@@H](CCCN=C(N)N)C(N)=O)cc1 ZINC000142045417 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccccn3)C2)cc1 ZINC000142092726 KJ Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccccn3)C2)c1 ZINC000142103944 KJ Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@H]2c2ccccc2)n1)c1ccc(CN2CCN(C)CC2)cc1 ZINC000142125544 KJ Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)c1ccc(CN2CCN(C)CC2)cc1 ZINC000142127106 KJ Annotated Anodyne COC(=O)C1CCN(C(=O)COc2cccc([C@@H](C)Nc3cc(-c4ccc5ccn(C)c5c4)nc(C)n3)c2)CC1 ZINC000142421843 KJ Annotated Anodyne COC(=O)C1CCN(C(=O)COc2cccc([C@H](C)Nc3cc(-c4ccc5ccn(C)c5c4)nc(C)n3)c2)CC1 ZINC000142422038 KJ Annotated Anodyne Cc1c(OS(C)(=O)=O)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]2C(=O)NC(C)(C)C ZINC000142424155 KJ Annotated Anodyne Cc1c(OS(C)(=O)=O)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]2C(=O)NC(C)(C)C ZINC000142424362 KJ Annotated Anodyne O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCCCCN1CCCCC1)C21CC1 ZINC000142590233 KJ Annotated Anodyne CO[C@H]1/C=C(/C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H]1/C(C)=C/c1csc(C)n1 ZINC000142695169 KJ Annotated Anodyne C=C(C)[C@H](O)Cc1c(O)c(CC=C(C)C)c(O)c2c1O[C@]13C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]3(C/C=C(\C)C(=O)O)C4=O)C2=O ZINC000142767167 KJ Annotated Mild CCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@H]1[C@@H](OC)/C=C(/CO)[C@H]2CC(C)(C)[C@]2(O)[C@@H](O)C[C@]1(C)OOC3=O ZINC000142786426 KJ Annotated Reactive CCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@H]1[C@@H](O)/C=C(/CO)[C@H]2CC(C)(C)[C@]2(O)CC[C@]1(C)OOC3=O ZINC000142786660 KJ Annotated Reactive CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)CCCC(=O)N2 ZINC000142863904 KJ Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@@H]1OCCCO ZINC000142939565 KJ Annotated Mild in-vivo CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4cc(F)ccc43)nc(I)c21 ZINC000142958152 KJ Annotated Anodyne COc1cc(OC)c2c(O)c(C(C)=O)c(C)c(-c3c4c(c(O)c5c(OC)cc(OC)cc35)C(=O)C=C(CO)C4=O)c2c1 ZINC000142976596 KJ Annotated Mild COc1cc(OC)c2c(O)c(C(C)=O)c(C)c(-c3c4c(c(O)c5c(OC)cc(OC)cc35)C(=O)C(=O)C(CO)=C4)c2c1 ZINC000142976796 KJ Annotated Mild COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@H](c1ccc3ccccc3c1)N(C)[C@H]2c1ccc2ccccc2c1 ZINC000143136843 KJ Annotated Anodyne CCCCc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000143137199 KJ Annotated Anodyne O=c1nc(N2CCN(CCCCOc3ccccc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000143138611 KJ Annotated Anodyne COc1cc(OCc2nc(N3CCOCC3)sc2Cl)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143212403 KJ Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@H](NC(=O)OCC)CC2 ZINC000143212927 KJ Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@H](NC(=O)OCC)CC2 ZINC000143213112 KJ Annotated Anodyne COc1cc(OCc2csc(N3C[C@@H]4CC[C@H](C3)O4)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143224079 KJ Annotated Anodyne O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OC[C@H](O)CO2 ZINC000143230331 KJ Annotated Anodyne O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OC[C@@H](O)CO2 ZINC000143231188 KJ Annotated Anodyne COc1cc(OCc2nc(N3C[C@@H]4CC[C@H](C3)O4)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143243418 KJ Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC[C@H](NC(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1 ZINC000143253885 KJ Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC[C@@H](NC(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1 ZINC000143254109 KJ Annotated Anodyne COC[C@@H]1CCCN1c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1 ZINC000143274100 KJ Annotated Anodyne CN(C)CCN1CC[C@@H](CNc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143312770 KJ Annotated Anodyne CN(C)CCN1CC[C@H](CNc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143312983 KJ Annotated Anodyne CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(C(F)(F)F)cn5)n4)c3CO)ncc2c1 ZINC000143386173 KJ Annotated Anodyne CCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CN(C)C)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000143470494 KJ Annotated Mild CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](OC(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000143470711 KJ Annotated Mild CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@@]3(O)[C@@H](C=C(C)[C@@H](OC)[C@H]3O)C(=O)O1)O2 ZINC000143477934 KJ Annotated Anodyne CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(C(C)(C)O)cc5)n4)c3CO)ncc2c1 ZINC000143497825 KJ Annotated Anodyne CC(=O)O/C=C(/C=C/OC(C)=O)[C@@H](C/C=C(/C=O)C[C@@H](/C=C(\C)CCC=C(C)C)OC(C)=O)OC(C)=O ZINC000143518809 KJ Annotated Reactive Brc1c(Br)c(Br)c2[nH]c(N[C@H]3COC[C@@H]3N3CCCC3)nc2c1Br ZINC000143522365 KJ Annotated Anodyne CN1CCN(C2CCN(c3nc4c(Br)c(Br)c(Br)c(Br)c4[nH]3)CC2)CC1 ZINC000143531351 KJ Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Oc2ccc(C(F)(F)F)cc2)C(C)C)ccc1OC ZINC000143537002 KJ Annotated Anodyne CCCn1c(N2CCNCC2)nc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000143538562 KJ Annotated Anodyne CN(C)CCCN1CCN(c2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)CC1 ZINC000143552507 KJ Annotated Anodyne Oc1ncc(Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)c(O)n1 ZINC000143569856 KJ Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(NC3CCNCC3)nc2c1Br ZINC000143573030 KJ Annotated Anodyne C[C@H]1CN[C@H](C)CN1c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143576637 KJ Annotated Anodyne CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c5ccc(Br)nc54)c3CO)ncc2c1 ZINC000143585217 KJ Annotated Anodyne O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc(C(=O)N5CCOCC5)ccc43)nc2c1 ZINC000143631611 KJ Annotated Anodyne CC(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2 ZINC000143646374 KJ Annotated Anodyne CC(C)[C@H](C(=O)Nc1ccc(F)cc1)N1C[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C(=O)[C@H]2C1 ZINC000143654908 KJ Annotated Anodyne CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)N1C[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C(=O)[C@H]2C1 ZINC000143655099 KJ Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(NCCCN3CCOCC3)nc2c1Br ZINC000143674291 KJ Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000143688311 KJ Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000143688523 KJ Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000143713639 KJ Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000143713857 KJ Annotated Mild O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COC(C(F)(F)F)C(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000143727197 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC ZINC000143826069 KJ Annotated Anodyne COCC/N=C(\N)c1ccc2cc(-c3ccc(-c4cc5ccc(/C(N)=N/CCOC)cc5[nH]4)cc3)[nH]c2c1 ZINC000143826329 KJ Annotated Mild CN(C)CC/N=C(\N)c1ccc2cc(-c3ccc(-c4cc5ccc(/C(N)=N/CCN(C)C)cc5[nH]4)cc3)[nH]c2c1 ZINC000143831114 KJ Annotated Mild CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(F)c2)CC1 ZINC000143892713 KJ Annotated Clean N#Cc1ccccc1S(=O)(=O)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)NC2 ZINC000143908298 KJ Annotated Mild CN(CC(=O)O)[C@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4C3CCCCCCC3)c2=O)C1 ZINC000143914573 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3ccc(-c4cccc(N(C)C)c4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000143950048 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3ccc(-c4cccc(N(C)C)c4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000143950257 KJ Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-n3cccc3)c2)C(C)C)ccc1OC ZINC000143987396 KJ Annotated Anodyne CC(C)(C)OC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)N[C@@H]4CCNC4=O)S(=O)(=O)Cc4ccccc4)sc3c2)cc1 ZINC000144038178 KJ Annotated Anodyne CC(C)(C)OC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)N[C@@H]4CCNC4=O)S(=O)(=O)Cc4ccccc4)sc3c2)cc1 ZINC000144038377 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3cc(C)c(-c4ccccc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144051003 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3cc(C)c(-c4ccccc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144051211 KJ Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000144142003 KJ Annotated Anodyne NC[C@H](O)c1ccc(O)c2c1OC[C@@H](Oc1cccc(O)c1)[C@H]2c1ccc(Br)c(Br)c1 ZINC000144166813 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3cc(F)c(-c4ccccc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144187895 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3cc(F)c(-c4ccccc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144188108 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3ccc(-c4ccc(F)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144244379 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3ccc(-c4ccc(F)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144244583 KJ Annotated Anodyne O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1)N1CCC(N2CCCC2=O)CC1 ZINC000144254404 KJ Annotated Anodyne COCc1ccnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCC(N6CCCC6=O)CC5)cc4c3)n2)c1 ZINC000144300649 KJ Annotated Anodyne Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2csc(C3CC3)n2)CC1 ZINC000144384821 KJ Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc(N2CCN(c3ccccc3C(F)(F)F)CC2)c(NC(=O)c2coc(C3CC3)n2)c1 ZINC000144389333 KJ Annotated Anodyne Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)C[C@H]1C ZINC000144392021 KJ Annotated Anodyne COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)c(C)c1 ZINC000144423750 KJ Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144516835 KJ Annotated Anodyne COc1cc(OCc2ccnc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144519421 KJ Annotated Anodyne COc1cc(OCc2cccc(-c3cnc(OC)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144521084 KJ Annotated Anodyne COc1ccc2c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)nn(CC(C)(C)C)c2c1 ZINC000144549717 KJ Annotated Anodyne COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1 ZINC000144554130 KJ Annotated Anodyne CC(C)(C)c1nn(-c2ccc(F)cc2)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2 ZINC000144616468 KJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)Cc2cscn2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144622251 KJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)Cc2cscn2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144622444 KJ Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc3ccccc23)C(C)C)ccc1OC ZINC000144661486 KJ Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CCCC4)ccn3)c2s1 ZINC000144676254 KJ Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@H](F)C4)ccn3)c2s1 ZINC000144696295 KJ Annotated Anodyne C[C@@H](CS(C)(=O)=O)N[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000144706650 KJ Annotated Anodyne C[C@H](CS(C)(=O)=O)N[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000144712960 KJ Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@@H](F)C4)ccn3)c2s1 ZINC000144714758 KJ Annotated Anodyne COc1ccc(C[C@@H]2C3=C(Oc4c2cc(O)c(O)c4OC)C(=O)c2cc(O)c4cc(O)ccc4c2C3=O)cc1 ZINC000144756014 KJ Annotated Mild C[C@@H]1CC[C@H]([C@H]2CCC[C@@H](C)OC(=O)Cc3cc(O)cc(O)c3C(=O)C2)/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1 ZINC000144772929 KJ Annotated Mild Cn1nnc([C@@H]2C[C@]3(c4ccccc4)N[C@@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000144806712 KJ Annotated Anodyne Cn1nnc([C@H]2C[C@]3(c4ccccc4)N[C@@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000144806924 KJ Annotated Anodyne Cn1nnc([C@@H]2C[C@@]3(c4ccccc4)N[C@@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000144807142 KJ Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2ccc3ccccc3c2)C(C)C)ccc1OC ZINC000144874891 KJ Annotated Anodyne NC(=O)Cn1cc(-c2cc(OCCC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144881968 KJ Annotated Anodyne NC(=O)Cn1cc(-c2cc(OCCC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144882177 KJ Annotated Anodyne NC(=O)Cn1cc(-c2cc(OCCC34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144882363 KJ Annotated Anodyne O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1 ZINC000144931269 KJ Annotated Mild C[C@@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCN(C)C4)c3c2)c1=O ZINC000144977265 KJ Annotated Mild C[C@@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@H]4CCN(C)C4)c3c2)c1=O ZINC000144978690 KJ Annotated Mild C[C@@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(C)C4)c3c2)c1=O ZINC000144979397 KJ Annotated Mild C[C@H](CNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12)c1ccccc1 ZINC000144981136 KJ Annotated Mild O=C1O[C@]2(Cc3ccccc3)[C@@H](c3ccccc3)C[C@H](O)[C@](O)(c3ccccc3)[C@]23O[C@]13Cc1ccccc1 ZINC000014585023 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](O)[C@H](C)[C@@H]1C ZINC000014616567 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](O)[C@H](C)[C@@H]1C ZINC000014616568 KJ Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@H]2C[C@]3(O)c4cccc(CC=C(C)C)c4N[C@@H]3N2C1=O ZINC000014617121 KJ Annotated Mild COC1=C(OC)C(=O)[C@]23COc4c5c(cc(c42)[C@@H](OC(=O)c2ccccc2)[C@@H](C)[C@@H](C)CC3=C1)OCO5 ZINC000014619698 KJ Annotated Mild COC1=C(OC)C(=O)[C@@]23COc4c5c(cc(c42)[C@H](OC(=O)c2ccccc2)[C@@H](C)[C@@H](C)CC3=C1)OCO5 ZINC000014619701 KJ Annotated Mild CC(=O)O/C=C(/C=C/C/C(C)=C/CC[C@H](CO)CCCC(/C=C/OC(C)=O)=C\OC(C)=O)COC(C)=O ZINC000014654430 KJ Annotated Anodyne CCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)[C@@H]1[C@H](/C=C/CCCC(=O)OC)OC(C)=O ZINC000014683548 KJ Annotated Mild Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O ZINC000014686358 KJ Annotated Anodyne in-man C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@H](C)C2 ZINC000014692413 KJ Annotated Anodyne C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@H](C)C2 ZINC000014692416 KJ Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCc1cn(CCCNC(=N)N)c[n+]1C ZINC000014715155 KJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(-c3cc(CC=C(C)C)c(OC(C)=O)cc3OC(C)=O)coc2c1 ZINC000014762952 KJ Annotated Anodyne COCc1cc(O)c(O)c(Cc2cc(O)c(O)c(Br)c2Br)c1Br ZINC000014769713 KJ Annotated Clean Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)cc3/C=C/c3ccc(O)c(O)c3)[C@H]2O)cc1 ZINC000014807185 KJ Annotated Clean Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)CC6=O)c3cc2o1 ZINC000014826842 KJ Annotated Bother Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)CC6=O)c3cc2o1 ZINC000014826844 KJ Annotated Bother O=C1c2cccc(N3CCN(Cc4cccn4-c4nccs4)CC3)c2C(=O)N1Cc1ccc(Cl)cc1 ZINC000014880649 KJ Annotated Anodyne O=C1N(CCCCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCCCO ZINC000014907453 KJ Annotated Anodyne Cc1cccc(C)c1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943145 KJ Annotated Anodyne CC[C@H](CC1CCOCC1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000014943336 KJ Annotated Anodyne CC[C@@H](CC1CCOCC1)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000014943337 KJ Annotated Anodyne CC[C@H](CC1CCOCC1)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000014943338 KJ Annotated Anodyne N#CN=C1N(CC2CCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCC1 ZINC000014943472 KJ Annotated Mild N#CN=C1N(Cc2ccc(C#N)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(C#N)cc1 ZINC000014943480 KJ Annotated Mild COC(=O)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000014943817 KJ Annotated Anodyne COC(=O)NCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000014943819 KJ Annotated Anodyne CCNC(=O)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000014943823 KJ Annotated Anodyne COC(=O)c1cc(C(=CCCN2CCOC2=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000014943829 KJ Annotated Anodyne CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1 ZINC000014944210 KJ Annotated Anodyne CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1 ZINC000014944212 KJ Annotated Anodyne O=S1(=O)N(Cc2ccccc2CCc2ccccc2)C[C@H](O)[C@@H](O)CN1Cc1ccccc1CCc1ccccc1 ZINC000014944594 KJ Annotated Anodyne Cc1ccc(-c2ccccc2CN2C[C@H](O)[C@@H](O)CN(Cc3ccccc3-c3ccc(C)cc3)S2(=O)=O)cc1 ZINC000014944601 KJ Annotated Anodyne Cc1cccc(-c2ccccc2CN2C[C@H](O)[C@@H](O)CN(Cc3ccccc3-c3cccc(C)c3)S2(=O)=O)c1 ZINC000014944603 KJ Annotated Anodyne O=S1(=O)N(Cc2ccccc2-c2ccc(F)cc2)C[C@H](O)[C@@H](O)CN1Cc1ccccc1-c1ccc(F)cc1 ZINC000014944609 KJ Annotated Anodyne CC(=O)c1ccc(-c2ccccc2CN2C[C@H](O)[C@@H](O)CN(Cc3ccccc3-c3ccc(C(C)=O)cc3)S2(=O)=O)cc1 ZINC000014944613 KJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(NS(C)(=O)=O)c3)[nH]c(=O)c12 ZINC000014945251 KJ Annotated Anodyne C=CCCCCCCCCOC(=O)N(CC=C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946364 KJ Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946368 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946376 KJ Annotated Anodyne C[C@@H]1C/C=C\CCCCCCCCOC(=O)N1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946379 KJ Annotated Anodyne C[C@H]1C/C=C\CCCCCCCCOC(=O)N1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946380 KJ Annotated Anodyne C[C@@H]1C/C=C/CCCCCCCOC(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000014946385 KJ Annotated Anodyne C[C@H]1C/C=C/CCCCCCCOC(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000014946386 KJ Annotated Anodyne C=CCCCC[C@H](NC(=O)c1cccc(O)c1OCCC=C)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000014946397 KJ Annotated Mild Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000014946718 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000014946729 KJ Annotated Bother Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2cccc(N)c2)c2ccccc2)cc1 ZINC000014946736 KJ Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946748 KJ Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946751 KJ Annotated Anodyne CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccc2c1OCO2)S(=O)(=O)c1ccc(N)cc1 ZINC000014946756 KJ Annotated Anodyne CC(C)N1CCC(NC(=O)c2c(C#N)c3cc(S(C)(=O)=O)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949890 KJ Annotated Mild COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(N)c1 ZINC000014950631 KJ Annotated Anodyne Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN(C)C)cc3)c(C)nc12 ZINC000014951257 KJ Annotated Anodyne Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000014952285 KJ Annotated Mild Cn1cncc1[C@@](O)(c1ccc(I)cc1)c1ccc2c(c1)n(-c1cccc(Cl)c1)c(=O)n2C ZINC000014955630 KJ Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(I)cc1)c1ccc2c(c1)n(-c1cccc(Cl)c1)c(=O)n2C ZINC000014955634 KJ Annotated Anodyne Cn1cncc1[C@@](O)(c1ccc(I)cc1)c1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)n2C ZINC000014955704 KJ Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(I)cc1)c1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)n2C ZINC000014955708 KJ Annotated Anodyne CC[C@H](C)CCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000014957869 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2NC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000014962057 KJ Annotated Anodyne CN(CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)C(=O)OC(C)(C)C ZINC000014964466 KJ Annotated Anodyne CCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc(-c2ccoc2)c(OC)c1C(=O)O ZINC000014965144 KJ Annotated Anodyne CCC(=O)OCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21 ZINC000014966546 KJ Annotated Anodyne COCCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21 ZINC000014966557 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014967022 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014967026 KJ Annotated Anodyne N=C(c1ccccn1)N(N)S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000014969174 KJ Annotated Bother CCC(CC)C(=O)N[C@H]1CC=C2C[C@H]3C(=O)C[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO ZINC000014969881 KJ Annotated Anodyne O=C(O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000014971648 KJ Annotated Anodyne C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCSCC1 ZINC000014971890 KJ Annotated Anodyne O=C(NCCc1c[nH]c2c1C(=O)C(C1(c3ccccc3)C(=O)c3ccccc3C1=O)=CC2=O)OCc1ccccc1 ZINC000014977575 KJ Annotated Mild O=C(O)[C@H]1CCS(=O)(=O)N1Cc1cccc(COc2ccc(-c3cc(F)c(F)cc3Cl)cc2)c1 ZINC000145113671 KJ Annotated Anodyne CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)N1CCc2c(O)cccc2[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1 ZINC000145228991 KJ Annotated Anodyne CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)N1CCc2c(O)cccc2[C@H]1C(=O)Nc1ccc(C(=O)O)cc1 ZINC000145229216 KJ Annotated Anodyne CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2cccc(F)c2)cc1 ZINC000145282614 KJ Annotated Anodyne CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2cccc(F)c2)cc1 ZINC000145282801 KJ Annotated Anodyne CCCC(=O)O[C@H]1C[C@@]23[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@H]2[C@H](C(=O)OC)CC[C@@H]3[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000145345826 KJ Annotated Anodyne CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C=C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000145386331 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3ccc(-c4ccccc4)c(F)c3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000145454621 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3ccc(-c4ccccc4)c(F)c3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000145454819 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3cc(F)c(-c4ccccc4)cc3s2)S(=O)(=O)CCC(F)(F)F)o1 ZINC000145481997 KJ Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3cc(F)c(-c4ccccc4)cc3s2)S(=O)(=O)CCC(F)(F)F)o1 ZINC000145482195 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000145507331 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000145507542 KJ Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NCCc6ccccn6)c5)nccc34)cn2)cn1 ZINC000145515536 KJ Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-n4cnc(-c5cccnc5)c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145547088 KJ Annotated Anodyne COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145584365 KJ Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-n4cnc(-c5ccncc5)c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145603883 KJ Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-n4cnc(Br)c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145611782 KJ Annotated Anodyne C=CCCCC[C@@H](C)CCC/C=C\C#CCC[C@H](OC)C(=O)OC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000145670581 KJ Annotated Mild C=C/C(C)=C\C[C@@]1(C)[C@@H](C)[C@H](OC(=O)CCC)[C@@H](OC(C)=O)[C@]23C(=C[C@H](OC)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000145702768 KJ Annotated Anodyne CCCN(CCC)c1nc(C(F)(F)Cl)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145703670 KJ Annotated Anodyne CCCN(CCC)c1nc(C(F)(F)Cl)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145703852 KJ Annotated Anodyne C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000145739133 KJ Annotated Mild C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000145973480 KJ Annotated Mild CO[C@]1(c2ccc(O)cc2)Oc2cc(O)c3c(c2[C@@]12Oc1cc(O)cc(O)c1C2=O)O[C@@H](c1ccc(O)cc1)CC3 ZINC000146001718 KJ Annotated Anodyne CO[C@]1(c2ccc(O)cc2)Oc2cc(O)c3c(c2[C@@]12Oc1cc(O)cc(O)c1C2=O)O[C@H](c1ccc(O)cc1)CC3 ZINC000146001942 KJ Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccsn3)CC4)n[nH]c2c1 ZINC000146022643 KJ Annotated Anodyne O=C(OC[C@H]1O[C@@H](n2ncc(Cl)c(Cl)c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000146057885 KJ Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146124639 KJ Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146124834 KJ Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146133702 KJ Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146133882 KJ Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccc(C#N)nc3)CC4)n[nH]c2c1 ZINC000146137233 KJ Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(S(=O)(=O)c3ccc(F)cc3)C4)n[nH]c2c1 ZINC000146152105 KJ Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3cc(C#N)ccn3)CC4)n[nH]c2c1 ZINC000146168534 KJ Annotated Anodyne C[C@@H]1O[C@H](C=C=CBr)C[C@@H]2O[C@@]3(C[C@H]2Br)O[C@H](C[C@@H]3Br)[C@H]1Cl ZINC000146202262 KJ Annotated Reactive COc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(C)cc(O)c1C2=O ZINC000146259339 KJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2nc(C(F)(F)Cl)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000146287241 KJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2nc(C(F)(F)Cl)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000146287437 KJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2nc(C(F)(F)Cl)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000146287626 KJ Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146287812 KJ Annotated Anodyne CCOC1CN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)C1 ZINC000146426765 KJ Annotated Anodyne CCCS(=O)(=O)NCCOc1cc(Br)c2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)NCC2 ZINC000146454214 KJ Annotated Anodyne CCCS(=O)(=O)NCCOc1cc(Br)c2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)NCC2 ZINC000146454426 KJ Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1ccnc1C ZINC000146558631 KJ Annotated Anodyne COc1cc(-c2cn([C@@]3(C)CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146723388 KJ Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ccccc4N(Cc4ccccn4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146770158 KJ Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(Cc4ccccn4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146770345 KJ Annotated Anodyne COC(=O)[C@@]1(C)C[C@H]2[C@]3(C)CC[C@@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C(=O)OC)C[C@@H]1O ZINC000146847041 KJ Annotated Mild O=S(=O)(Nc1ccncn1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2Br)C1 ZINC000146893175 KJ Annotated Anodyne COc1cc(-c2ccc(F)c(F)c2)ccc1-c1cccc2c1CCN(S(=O)(=O)Nc1nncs1)C2 ZINC000146893949 KJ Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C4CC4)nn2C)CC3)[C@H](C)C1 ZINC000146928453 KJ Annotated Anodyne CCn1nc(C2CC2)c(Cl)c1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CC(N(C)C)C3)c2C1 ZINC000146928660 KJ Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1 ZINC000146928874 KJ Annotated Anodyne Cc1ccc2[nH]nc(C)c2c1-c1nc2c(c(N3CCOC[C@H]3C)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2 ZINC000146932936 KJ Annotated Anodyne Cc1ccc2[nH]nc(C)c2c1-c1nc2c(c(N3CC[C@@H](N(C)C)C3)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2 ZINC000146937321 KJ Annotated Anodyne Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)c(F)c2)cn1 ZINC000146961225 KJ Annotated Anodyne CCCCCCCC(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)CCCCCCC ZINC000147004319 KJ Annotated Mild O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnc(N5CC(F)(F)C5)nc4)ccn23)c1 ZINC000147102541 KJ Annotated Anodyne CN1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)Nc2ncns2)C3)CC1 ZINC000147112795 KJ Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000147172445 KJ Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000147172636 KJ Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)c(F)c2)CC1 ZINC000147286839 KJ Annotated Anodyne COc1cc(-c2cn([C@]3(C)CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147357339 KJ Annotated Anodyne Nc1cc(-c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)Nc2ncns2)C3)ccn1 ZINC000147387250 KJ Annotated Anodyne C[C@]1(C(=O)N(CCCC(=O)O)Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)Cc1coc2ccccc12 ZINC000147419049 KJ Annotated Anodyne C[C@@]1(C(=O)N(CCCC(=O)O)Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)Cc1coc2ccccc12 ZINC000147419257 KJ Annotated Anodyne O=S(=O)(Nc1ncc(F)s1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-n2ccnc2)C1 ZINC000147432601 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2Br)C1 ZINC000147447862 KJ Annotated Anodyne O=S(=O)(Nc1nccs1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CCNCC2)C1 ZINC000147450935 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CCOCC2)C1 ZINC000147496519 KJ Annotated Anodyne CN(C)C1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)nn2)CC1 ZINC000147518322 KJ Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2c1CCN(S(=O)(=O)Nc1nccs1)C2 ZINC000147574516 KJ Annotated Anodyne Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cc2F)cn1 ZINC000147576716 KJ Annotated Anodyne COc1ccc(-c2ccc(F)c(F)c2)cc1-c1cccc2c1CCN(S(=O)(=O)Nc1nncs1)C2 ZINC000147595199 KJ Annotated Anodyne Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc12 ZINC000148062087 KJ Annotated Anodyne CN(C)CCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C(F)(F)F)c2n1 ZINC000148081181 KJ Annotated Anodyne CN1CCCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C(F)(F)F)c3n2)CC1 ZINC000148081617 KJ Annotated Anodyne CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCOCC5)nc34)c2)no1 ZINC000148082772 KJ Annotated Anodyne CN(C)CCNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C(F)(F)F)c2n1 ZINC000148082957 KJ Annotated Anodyne COc1ccc(Nc2nc3cc4c(C)c(C(N)=O)c(=O)oc4cc3n2Cc2cccc(I)c2)cc1 ZINC000148177051 KJ Annotated Anodyne in-vivo Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CCN2CCCC2)cc1Nc1ncnc2cnc(N3CC[C@@H](F)C3)nc12 ZINC000148185774 KJ Annotated Anodyne Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N3CC[C@@H](F)C3)nc12 ZINC000148213775 KJ Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[C@H](F)C5)nc34)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000148234700 KJ Annotated Anodyne Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Nc1ncnc2cnc(N3CCCCC3)nc12 ZINC000148245369 KJ Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCC(C4CCN(C)CC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148258838 KJ Annotated Mild Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CCOCC4)nc23)c1Cl ZINC000148267324 KJ Annotated Anodyne Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CCCC4)nc23)c1 ZINC000148267826 KJ Annotated Anodyne CC(C)(C#N)c1cccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N[C@@H]5CCOC5)nc34)c2)c1 ZINC000148271963 KJ Annotated Mild CC(C)(C#N)c1cccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N[C@H]5CCOC5)nc34)c2)c1 ZINC000148272200 KJ Annotated Mild Cc1ccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1Nc1ncnc2cnc(N3CCN(CC(C)C)CC3)nc12 ZINC000148304832 KJ Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(CC(C)C)CC3)nc12 ZINC000148322653 KJ Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N(C)c1ncnc2cnc(N3CC[C@H](F)C3)nc12 ZINC000148367214 KJ Annotated Anodyne COc1ccc(NC(=O)c2ccc(C)c(N(C)c3ncnc4cnc(N[C@@H]5CCOC5)nc34)c2)cc1C(F)(F)F ZINC000148369461 KJ Annotated Anodyne COc1ccc(NC(=O)c2ccc(C)c(N(C)c3ncnc4cnc(N[C@H]5CCOC5)nc34)c2)cc1C(F)(F)F ZINC000148369678 KJ Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[C@@]4(CCN(C)C4)C3)nc12 ZINC000148374958 KJ Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[C@]4(CCN(C)C4)C3)nc12 ZINC000148375162 KJ Annotated Anodyne Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncnc2cnc(N[C@@H]3CCOC3)nc12 ZINC000148387537 KJ Annotated Anodyne Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncnc2cnc(N[C@H]3CCOC3)nc12 ZINC000148387749 KJ Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148392224 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CCN(C)CC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148584927 KJ Annotated Mild CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000148610020 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000148611143 KJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000148611327 KJ Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N4CCC(C)CC4)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148670474 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N4CCC(C)CC4)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148670682 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148679903 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(NC)nc1 ZINC000148712546 KJ Annotated Mild 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]1OC(C)=O ZINC000148718930 KJ Annotated Anodyne COc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148794683 KJ Annotated Bother COc1ccc([N+](=O)[O-])cc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148794911 KJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000148799835 KJ Annotated Bother COc1c(N)cccc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148802030 KJ Annotated Anodyne COc1c(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000148803197 KJ Annotated Bother COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148803883 KJ Annotated Bother COc1ccc(N)cc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148805837 KJ Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148813259 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148814530 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148860355 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148871949 KJ Annotated Mild Cc1ccc2[nH]nc(C)c2c1-c1nc2c(c(N3CC[C@H]4OC[C@H]4C3)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2 ZINC000149132882 KJ Annotated Anodyne Cc1ccc(C)c(-c2nc3c(c(N4CCN(CC(N)=O)C[C@H]4C)n2)CN(c2cc(C(C)C)ccc2C)CC3)c1 ZINC000149139549 KJ Annotated Anodyne CC(C)C(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000149157049 KJ Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(F)(F)F)nn2C)CC3)[C@H](C)C1 ZINC000149161981 KJ Annotated Anodyne CC(C)C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc4ccccc4n3)n[nH]c2C1(C)C ZINC000149192925 KJ Annotated Anodyne O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@@H]2CC[C@@](O)(c3cncs3)CC2)C1 ZINC000149196197 KJ Annotated Anodyne C[C@]1(C(=O)N(CCCC(=O)N2CCOCC2)Cc2ccc(Cl)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000149201994 KJ Annotated Anodyne C[C@@]1(C(=O)N(CCCC(=O)N2CCOCC2)Cc2ccc(Cl)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000149202177 KJ Annotated Anodyne CCOC(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000149229374 KJ Annotated Anodyne O=C(COc1ccccc1-c1nc(N(CC(=O)NCC2CC2)c2ccc3[nH]ncc3c2)c2ccccc2n1)NCC1CC1 ZINC000149309970 KJ Annotated Anodyne COC(=O)CNC(=O)c1c[nH]c(-c2cc(Oc3cc(C(=O)Nc4cc(C)ccc4F)ccc3F)ccn2)c1 ZINC000149460291 KJ Annotated Anodyne CO[C@@H]1C2=CCC(=O)OC(C)(C)[C@@H]2CC[C@H]2[C@]3(C)C[C@@H](O)c4c(cc5cc(C)c(=O)oc5c4C)[C@@H]3C[C@@]21O ZINC000149505681 KJ Annotated Anodyne Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(C[C@@H]5C[C@@H]6CC[C@H]5C6)c4=O)cc3c2n1C(C)C ZINC000149583189 KJ Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(C[C@H]5C[C@@H]6CC[C@H]5C6)c4=O)cc3c2n1C(C)C ZINC000149583416 KJ Annotated Mild Cc1cc(C(=O)NCC#Cc2ccc3ncc4ncn([C@@H]5CC[C@H](N(C)C)CC5)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1 ZINC000149584082 KJ Annotated Mild Cc1c(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCN(C(C)C)CC5)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C ZINC000149585456 KJ Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5cccc(F)c5)c4=O)cc3c2n1[C@@H]1CC[C@H](N(C)C)CC1 ZINC000149586516 KJ Annotated Mild COc1ccc(CC2CCS(=O)(=O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000149670644 KJ Annotated Anodyne O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCC[C@@H](CCl)C3)ccc(NCCN3CCC[C@@H](CCl)C3)c21 ZINC000149755836 KJ Annotated Reactive CCOC(=O)c1c(Cn2ccnc2CC)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000001539485 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001540656 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000001540657 KJ Annotated Anodyne O=C1NC(=O)[C@@](CC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(S(=O)(=O)c2ccccc2)S1 ZINC000001543328 KJ Annotated Mild CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2)cc1 ZINC000001544467 KJ Annotated Anodyne CCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000001544686 KJ Annotated Anodyne CCC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(Cl)cc(C#N)c2)c(C)c1 ZINC000001553543 KJ Annotated Mild Cc1cc(O)c2c(c1)C(=O)C(c1c(O)c3c(C)cccc3oc1=O)=C(c1c(O)c3c(C)cccc3oc1=O)C2=O ZINC000001590432 KJ Annotated Mild C=CC(C)(C)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N4C=CC(C)(C)c5[nH]c6ccccc6c5C=C4C(=O)N3[C@H]12 ZINC000001617593 KJ Annotated Mild O=C(CCc1nnc2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n12)Nc1ccc(Cl)c(Cl)c1 ZINC000001618373 KJ Annotated Anodyne CCOC(=O)c1cc2c3c(c(O)c(OC)c2s1)N(C(=O)c1cc2c4c(c(O)c(OC)c2s1)N(C(C)=O)CC4)CC3 ZINC000001619624 KJ Annotated Anodyne O=C1C2=C(C[C@@H]3[C@H](C2)C3(Br)Br)C(=O)C2=C1C[C@@H]1[C@H](C2)C1(Br)Br ZINC000001625451 KJ Annotated Anodyne C[C@H]1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000001631814 KJ Annotated Anodyne C[C@@H]1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000001631815 KJ Annotated Anodyne C[C@H]1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000001631816 KJ Annotated Anodyne C[C@@H]1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000001631817 KJ Annotated Anodyne Cn1c(-c2ccc(/C=N/NC(=N)N/N=C/c3ccc(-c4c[n+]5cc(Cl)ccc5n4C)cc3)cc2)c[n+]2cc(Cl)ccc12 ZINC000001636206 KJ Annotated Mild CC(C)C(=O)Oc1cc2c(=O)oc3c(OC(=O)C(C)C)c(OC(=O)C(C)C)cc4c(=O)oc(c1OC(=O)C(C)C)c2c34 ZINC000001636707 KJ Annotated Bother COC(=O)Cc1cccc2c(=O)c(S(=O)(=O)/N=C(\O)Nc3ccc(Cl)cc3)c(-c3ccccc3)oc12 ZINC000001643613 KJ Annotated Mild Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 ZINC000001650953 KJ Annotated Mild O=c1c2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc2ncn1NS(=O)(=O)c1cccc2ccccc12 ZINC000001651086 KJ Annotated Anodyne O=C(CCCC(=O)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21 ZINC000001651280 KJ Annotated Reactive O=C(CCCC(=O)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21 ZINC000001651281 KJ Annotated Reactive O=C(CCCC(=O)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21 ZINC000001651283 KJ Annotated Reactive COC(=O)c1cc(C(=CCCO)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC ZINC000001653896 KJ Annotated Anodyne C=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000001653898 KJ Annotated Anodyne C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCCBr)cc1 ZINC000001654000 KJ Annotated Reactive COC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000001654330 KJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NCCN)c3ccccc43)[nH]c2c(OC)c1OC ZINC000001654943 KJ Annotated Reactive N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1N ZINC000001655796 KJ Annotated Reactive Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2N)c(S)cc1Cl ZINC000001655883 KJ Annotated Anodyne C[C@H]1SC2(CCCCC2)N(NC(=O)CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)C1=O ZINC000001658516 KJ Annotated Anodyne O=C(CSc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1)Nc1ccccc1 ZINC000001660357 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)C2=C3SCCN3C(=O)N(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000001662096 KJ Annotated Mild CN(CCCNC(=O)c1c2ccc3ccccc3c2nn1C)CCCNC(=O)c1c2ccc3ccccc3c2nn1C ZINC000001662535 KJ Annotated Anodyne O=c1c2cc(I)ccc2nc(-c2cccs2)n1-c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000001663524 KJ Annotated Anodyne COC(=O)CCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000001859878 KJ Annotated Anodyne COC(=O)c1cc2c3c(cc(N(C)C)c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@@H]3CCl ZINC000001861420 KJ Annotated Reactive COc1cc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000001865405 KJ Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000001865414 KJ Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000001865417 KJ Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000001865433 KJ Annotated Anodyne CS(=O)(=O)CCNCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1 ZINC000001902515 KJ Annotated Anodyne Oc1cc(O)cc(Oc2c(O)cc3c(c2O)Oc2cc(Oc4c(O)cc(O)cc4O)c(O)c(O)c2O3)c1 ZINC000015121986 KJ Annotated Clean O=C1Oc2cc(O)ccc2[C@H](c2ccc(O)cc2)[C@H]1[C@H]1C(=O)Oc2cc(O)ccc2[C@@H]1c1ccc(O)cc1 ZINC000015122005 KJ Annotated Anodyne O=C1Oc2cc(O)ccc2[C@H](c2ccc(O)cc2)[C@H]1[C@@H]1C(=O)Oc2cc(O)ccc2[C@@H]1c1ccc(O)cc1 ZINC000015122007 KJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O ZINC000015151167 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015155776 KJ Annotated Anodyne in-vitro C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015155779 KJ Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015155782 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015155785 KJ Annotated Anodyne in-vitro biogenic C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015155983 KJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015155986 KJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015155989 KJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015155992 KJ Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@]1(C)O)OCO3 ZINC000015262519 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000015262610 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O ZINC000015262635 KJ Annotated Anodyne in-vitro biogenic COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(OC)cc3O)cc2OC)cc1OC ZINC000015266121 KJ Annotated Anodyne CCc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1-c1nc2c([nH]1)CN(C(C)=O)CC2 ZINC000150288028 KJ Annotated Anodyne N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(C(F)(F)F)c(NC(=O)N[C@@H]4CCOC4)c3)CC2)cc1 ZINC000150313479 KJ Annotated Mild N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(C(F)(F)F)c(NC(=O)N[C@H]4CCOC4)c3)CC2)cc1 ZINC000150313669 KJ Annotated Mild NCC1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)CC1 ZINC000150336613 KJ Annotated Anodyne NCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000150337525 KJ Annotated Anodyne O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F ZINC000150338865 KJ Annotated Unstable Oc1ccc2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1cc([C@@H]2c3ccc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3)[C@H]2O)c(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000150338900 KJ Annotated Clean in-vitro biogenic C[C@@H](NC[C@H](O)C[P@@](=O)(O)CCCCCNC(=O)c1cc([125I])c(N=[N+]=[N-])cc1O)c1cccc(C(=O)O)c1 ZINC000150339266 KJ Annotated Mild in-vitro COC(=O)CCc1c(CC(=O)OC)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C(=O)OC)c5CCC(=O)OC)c(CC(=O)OC)c4CCC(=O)OC)c(CCC(=O)OC)c3CCC(=O)OC ZINC000150339583 KJ Annotated Bother in-man endogenous COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C3=C5C=C(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(SC(C)=O)cc54)C3)[nH]c2cc1O ZINC000150339647 KJ Annotated Mild in-vitro COc1cc2cc(C(=O)N3C[C@H]4C[C@]45C3=CC(=O)C3=C5C=C(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(SC(C)=O)cc54)C3)[nH]c2cc1O ZINC000150339650 KJ Annotated Mild in-vitro COc1cc2cc(C(=O)N3C[C@@H]4C[C@@]45C3=CC(=O)C3=C5C=C(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(SC(C)=O)cc54)C3)[nH]c2cc1O ZINC000150339652 KJ Annotated Mild in-vitro COc1cc2cc(C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)C3=C5C=C(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(SC(C)=O)cc54)C3)[nH]c2cc1O ZINC000150339655 KJ Annotated Mild in-vitro COc1cc2[nH]c(C(=O)N3C[C@@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)N4CCc6c4c(O)c(OC)c4[nH]c(C(=O)SC)cc64)cc35)cc2cc1O ZINC000150340017 KJ Annotated Mild in-vitro COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150340281 KJ Annotated Anodyne COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1 ZINC000150340793 KJ Annotated Anodyne O[C@@H](OCC(CO[C@@H](O)C(Cl)(Cl)Cl)(CO[C@@H](O)C(Cl)(Cl)Cl)CO[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000150340880 KJ Annotated Anodyne in-man COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC(C)C)[C@]1(C)O[C@H]1[C@@H](C)[C@H]1C[C@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000150340885 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@H]1C[C@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000150340888 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC(C)C)[C@]1(C)O[C@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000150340891 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC(C)C)[C@@]1(C)O[C@H]1[C@H](C)[C@H]1C[C@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000150340893 KJ Annotated Anodyne C[C@@]12CC3=C(CCC(=O)O)[C@](C)(CC(=O)O)C(=N3)/C=C3\N[C@@](C)([C@H]4N=C(CC(=N1)C(CCC(=O)O)=C2CC(=O)O)[C@](C)(CCC(=O)O)[C@H]4CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O ZINC000150341295 KJ Annotated Anodyne in-vitro C[C@@]12CC3=C(CCC(=O)O)[C@](C)(CC(=O)O)C(=N3)/C=C3\N[C@@](C)([C@@H]4N=C(CC(=N1)C(CCC(=O)O)=C2CC(=O)O)[C@](C)(CCC(=O)O)[C@H]4CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O ZINC000150341297 KJ Annotated Anodyne in-vitro CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342297 KJ Annotated Anodyne CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCN(C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342302 KJ Annotated Anodyne C=C(/C=C1\C=C[C@@]2(CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4[C@H](NC[C@H](C)O)C(=O)N[C@@H]5N)CC[C@@]3(C)O)[C@@H]2O)C(CO)=C1)CCC=C(C)C ZINC000150342422 KJ Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/C[C@@H]1O ZINC000150342454 KJ Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3CC(=O)N[C@H]4N)CC[C@@]2(C)O)[C@@H]1O)[C@H](CC=C(C)C)NCC ZINC000150342457 KJ Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)CC[C@@]2(C)O)[C@@H]1O)[C@H](O)CC=C(C)C ZINC000150342476 KJ Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1cc(CCCO)c(O)c(c1)OCCC#C[C@@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@H](CO)O5)-c1ccc(O)c2c1[C@@H](C4)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C(CNC)=C2 ZINC000150342976 KJ Annotated Mild in-vitro biogenic CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCCO)c(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C(CNC)=C2 ZINC000150342985 KJ Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1ccc(O)c(c1)OCCC#C[C@@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@@H](CO)O5)-c1ccc(O)c2c1[C@@H](C4)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C(CNC)=C2 ZINC000150342987 KJ Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1ccc(O)c(c1)O[C@@H](CO)CC#C[C@@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@@H](CO)O5)-c1ccc(O)c2c1[C@@H](C4)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000150343003 KJ Annotated Mild in-vitro biogenic CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C(CNC)=C2 ZINC000150343024 KJ Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1cc(CCCO)c(O)c(c1)OCCC#C[C@@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@H](CO)O5)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C4 ZINC000150343029 KJ Annotated Mild in-vitro biogenic CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCCO)c(O)c(OC)c1)CC[C@@H](CO)O4)-c1ccc(O)c2c1[C@@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000150343040 KJ Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1ccc(O)c(c1)OCCC#C[C@@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@@H](CO)O5)-c1ccc(O)cc1[C@H](Cc1ccc2c(c1)=C[CH+]N=2)C4 ZINC000150343069 KJ Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1cc(CCc3ccccc3)c(O)c(c1)OCCC#C[C@@H]2NCNC[C@H](C)O)CC[C@H](CO)O5)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C4 ZINC000150343095 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@@]2(CNCNC[C@H](C)O)OCNC2CCCCC2)cc(CCCO)c1O ZINC000150343103 KJ Annotated Mild in-vitro biogenic C[C@H](O)CNCN[C@H]1C#CCCOc2cc(ccc2O)[C@H]2Oc3c(c4c(c5c3CC[C@@H](CO)O5)-c3ccc(O)cc3[C@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@]12OCNC1CCCCC1 ZINC000150343106 KJ Annotated Mild in-vitro biogenic C[C@H](O)CNCN[C@H]1C#CCCOc2cc(ccc2O)[C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@]12OCNC1CCCC1 ZINC000150343110 KJ Annotated Mild in-vitro biogenic CNCO[C@]1(CNCNC[C@H](C)O)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000150343113 KJ Annotated Mild in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)[C@@]14CCC[C@H]1c1[cH-]c(CC(=O)CCO)nc1C1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@]1(CCC4(CCCC4)C1)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343362 KJ Annotated Clean in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@@H](O)[C@@]14CCC[C@@H]1c1[cH-]c(CC=O)nc1C1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343371 KJ Annotated Mild in-vitro biogenic CNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150343990 KJ Annotated Reactive in-vitro biogenic CCc1ccccc1/C=C/C[C@H](C)[C@H]1CN[C@@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@H]1C1=C[CH+]N=C1 ZINC000150344000 KJ Annotated Reactive in-vitro biogenic C[C@H](C/C=C/c1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344019 KJ Annotated Reactive in-vitro biogenic CNCC[C@H](C/C=C/c1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344027 KJ Annotated Reactive in-vitro biogenic CCc1ccccc1/C=C/C[C@H](C)[C@H](CNC[C@]1(O)[C@H](Oc2ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O)CC1=C[CH+]N=C1 ZINC000150344375 KJ Annotated Mild in-vitro biogenic C[C@@]1(CC(=O)O)C2=NC(=C1CCC(=O)O)C[C@@]1(C)N=C(CC3=N[C@H]([C@H](CC(=O)O)[C@@]3(C)CCC(=O)O)[C@]3(C)N/C(=C\2)[C@@H](CCC(=O)O)[C@]3(C)CC(=O)O)C(CCC(=O)O)=C1CC(=O)O ZINC000150344411 KJ Annotated Anodyne in-vitro C[C@@]1(CC(=O)O)C2=NC(=C1CCC(=O)O)C[C@@]1(C)N/C(=C\C3=NC(=C(CC(=O)O)[C@@]3(C)CCC(=O)O)[C@]3(C)N/C(=C\2)[C@@H](CCC(=O)O)[C@]3(C)CC(=O)O)C(CCC(=O)O)=C1CC(=O)O ZINC000150344421 KJ Annotated Anodyne in-vitro C[C@@]12CC3=C(CCC(=O)O)[C@](C)(CC(=O)O)C(=N3)/C=C3\N[C@@](C)(C4=C(CC(=O)O)[C@@](C)(CCC(=O)O)C(=N4)/C=C(\N1)C(CCC(=O)O)=C2CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O ZINC000150344423 KJ Annotated Anodyne in-vitro CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(O)cc([C@@H](O)CNC)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344491 KJ Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C(=O)CC[C@@H]5[C@H]4CCC[C@@]35O)C2)c1 ZINC000150344516 KJ Annotated Mild in-vitro biogenic O=C1C[C@H]2C#C[C@@H](c3cc(O)cc(CO)c3)C/C3=C/[C@H](O)Cc4cccc(c4)C[C@@H]4C(=O)CC[C@@H]5[C@H]4CCC[C@@]5(O)[C@@H](Cc4cc2c(cc4O)O1)OC3=O ZINC000150344519 KJ Annotated Mild in-vitro biogenic COCC[C@@](C)(O)CNc1cc(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344522 KJ Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C4\CCc5ccc(cc5C[C@H]4O)C[C@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344555 KJ Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C4/CCc5ccc(cc5C[C@H]4O)C[C@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344558 KJ Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344560 KJ Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@H](O)/C(=C3\C[C@@H](c5cc(O)cc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344565 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@](C)(O)CCOC)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@@H]32)OC1=O ZINC000150344581 KJ Annotated Mild in-vitro biogenic CCNCC/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@@H]32)OC1=O ZINC000150344587 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CC[C@H]3C=C[C@@H]4CC(=O)C[C@H]3[C@@H]42)OC1=O ZINC000150344594 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CC[C@H]3CC[C@@H]4CC(=O)C[C@H]3[C@@H]42)OC1=O ZINC000150344595 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@@H]32)OC1=O ZINC000150344608 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cccc([C@@H](O)CNC)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@H]3CC(=O)CC[C@H]32)OC1=O ZINC000150344628 KJ Annotated Mild in-vitro biogenic CCNCC/C=C1/C[C@H](c2cccc(CO)c2)C#C[C@@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@@H]32)OC1=O ZINC000150344631 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CC[C@@H]3C=C[C@H]4CC(=O)C[C@@H]3[C@H]42)OC1=O ZINC000150344641 KJ Annotated Mild in-vitro biogenic O=C[C@@H]1CCC[C@]12CC[C@]1(C[C@@]3(O)[C@@H](O)[C@H](Oc4cccc5c4C(=O)[C@]4(CSSCNc6cc1ccn6)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]4C5=O)O[C@H](CO)[C@H]3O)C2 ZINC000150344697 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc2c(cn1)CC[C@H]1CCC[C@]21C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O ZINC000150344698 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@@H](CCCO)SSCNc1cc(ccn1)C1(CCCC1)[C@H]1CC[C@]2(CO)O[C@@H](O3)[C@H](O)[C@@]1(O)[C@@H]2O ZINC000150344707 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc(ccn1)C1(CCCC1)[C@@H]1C=C[C@]2(CO)O[C@@H](O3)[C@H](O)[C@@]1(O)[C@@H]2O ZINC000150344715 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc(ccn1)C1(CCCC1)C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O ZINC000150344719 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)C4(CCCC4)[C@H]4C=C[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344732 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc(ccn1)CC[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O ZINC000150344746 KJ Annotated Reactive in-vitro biogenic CC1=C[C@@H]2C(=O)c3cccc4c3C(=O)[C@]2(CSSCNc2cc(ccn2)[C@@]2(CCC3(CCCC3)C2)C[C@@]2(O)[C@@H](O)[C@H](O4)O[C@H](CO)[C@H]2O)C(O)=C1 ZINC000150344750 KJ Annotated Reactive in-vitro biogenic CNCC1=CC2=C([C@H]3/C=C/c4c(OC)c5c6c7c(c8c(O)c6c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OC#CCc3cccc6c3CN(CC8=O)C6=O)[C@]4(O)CO)[C@H]3CCC[C@H]3C=C7CC5)C=N[C+]2C=C1 ZINC000150344779 KJ Annotated Mild in-vitro biogenic CNCC1=CC2=C([C@H]3/C=C/c4c(OC)c5c6c7c(c8c(O)c6c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OC#CCc3cccc6c3CN(CC8=O)C6=O)[C@]4(O)CO)[C@H]3CCC[C@H]3C[C@H]7CC5)C=N[C+]2C=C1 ZINC000150344786 KJ Annotated Mild in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=C(CCCO)C=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@H]1CCC[C@@H]1C=C3 ZINC000150344830 KJ Annotated Mild in-vitro biogenic COCCCCNCC1=CC2=C([C@H]3/C=C/c4c(OC)cc5cc(C6CCCC6)c6c(O)c5c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OC#CCc3cccc5c3CN(CC6=O)C5=O)[C@]4(O)CO)C=N[C+]2C=C1 ZINC000150344839 KJ Annotated Mild in-vitro biogenic COc1c2c(c3c(O)c(C(=O)CN4Cc5ccccc5C4=O)c4c5c3c1CCC5=C[C@@H]1CCC[C@H]41)O[C@H]1O[C@H](CO[C@@H](C3=C4C=CC=C[C+]4N=C3)/C=C/2)[C@@H](O)[C@H](O)[C@]1(O)CO ZINC000150344869 KJ Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c3c(O)c2c2c1/C=C/[C@H](C1=C4C=C(CCCO)C=C[C+]4N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@@H]1O ZINC000150344872 KJ Annotated Mild in-vitro biogenic CNCc1cccc2c1CN(CC(=O)c1c(C3CCCC3)cc3cc(OC)c4c(c3c1O)O[C@H]1O[C@H](CO[C@@H](C3=C5C=C(CNC6CCCC6)C=C[C+]5N=C3)/C=C/4)[C@@H](O)[C@H](O)[C@]1(O)CO)C2=O ZINC000150344878 KJ Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c(C(=O)CN3Cc4ccccc4C3=O)c(O)c2c2c1/C=C/[C@H](C1=C3C=C(CNC4CCCC4)C=C[C+]3N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](O)[C@@H]1O ZINC000150344901 KJ Annotated Mild in-vitro biogenic CNCC1=CC2=C([C@H]3/C=C/c4c(OC)cc5cc(C6CCCC6)c6c(O)c5c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OC#CCc3cccc5c3CN(CC6=O)C5=O)[C@H]4O)C=N[C+]2C=C1 ZINC000150344904 KJ Annotated Mild in-vitro biogenic CCC1=[N+](c2c3c(cc4c(=O)cc(C)oc24)C[C@@H](OOC[C@@](O)(Cc2ccc(O)c4ccc(O)cc24)[C@@H](O)[C@H](O)[C@H](O)CO)[C@]2(CC=C4C#CCC5CCC6(CC5)C(=O)NC[C@H]6[C@@H]4C2)O3)C=C2N=CC=C21 ZINC000150345534 KJ Annotated Reactive in-vitro biogenic CCC1=[N+](c2c3c(cc4c(=O)cc(C)oc24)C[C@@H](OOC[C@@](O)(Cc2ccc(O)c4ccc(O)cc24)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@]2(C[C@H]([C@@H]4CNC(=O)C4)CC[C@@H]2CNC2CCCCC2)O3)C=C2N=CC=C21 ZINC000150345547 KJ Annotated Reactive in-vitro biogenic CCC1=[N+](c2c3c(cc4c(=O)cc(C)oc24)C[C@@H](OOC[C@@](O)(Cc2ccc(O)c4ccc(O)cc24)[C@@H](O)[C@H](O)[C@H](O)CO)[C@]2(CC=C[C@@H]([C@@H]4CNC(=O)C45CCCCC5)C2)O3)C=C2N=CC=C21 ZINC000150345552 KJ Annotated Reactive in-vitro biogenic CCC1=[N+](c2c3c(cc4c(=O)cc(C)oc24)C[C@@H](OOC[C@@](O)(Cc2ccc(O)c4ccc(O)cc24)[C@@H](O)[C@H](O)[C@H](O)CO)[C@]2(CCC[C@@H]([C@@H]4CNC(=O)C45CCCCC5)C2)O3)C=C2N=CC=C21 ZINC000150345556 KJ Annotated Reactive in-vitro biogenic CCC1=[N+](c2c3c(cc4c(=O)cc(C)oc24)C[C@@H](OOC[C@@](O)(Cc2ccc(O)c4ccc(O)cc24)[C@@H](O)[C@H](O)[C@H](O)CO)[C@]2(CCC[C@H]([C@H]4CNC(=O)C45CCCC5)C2)O3)C=C2N=CC=C21 ZINC000150345563 KJ Annotated Reactive in-vitro biogenic CCC1=[N+](c2c3c(cc4c(=O)cc(C)oc24)C[C@@H](OOC[C@@](O)(Cc2ccc(O)c4ccc(O)cc24)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@](C)(CC[C@@H]2CNC(=O)C24CCCCC4)O3)C=C2N=CC=C21 ZINC000150345569 KJ Annotated Reactive in-vitro biogenic CNC[C@@H](CCO)[C@@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O ZINC000150345628 KJ Annotated Reactive in-vitro biogenic CNC[C@@H](CCO)[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O ZINC000150345631 KJ Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@]2(O[C@@H]2CCc2cc(N)nc(-c3cc(N)nc(C[N+]4=CC5=CC=NC5=C4)c3)c2)C(=O)O[C@@H]2[C@@H](C1)c1c(cc3oc(C)cc(=O)c3c1O)OC2(C)C ZINC000150345634 KJ Annotated Anodyne in-vitro biogenic C/C=C(\CCO)C(=O)O[C@]1(C)[C@@H](CO)C=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345849 KJ Annotated Reactive in-vitro biogenic C/C=C(\CCO)C(=O)O[C@]1(C)[C@@H](CO)C=C2CSS[C@@H]3C[C@@H](C=O)[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345851 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCCO)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345873 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCO)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345891 KJ Annotated Reactive in-vitro biogenic CCOC(=O)C1=C(C=O)/C(=C2\C[C@H](CO)C(=O)[C@@H](c3ccc4c(c3)=C[CH+]N=4)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@@]2(O)CCC[C@H]4CN(CCCOC)CC[C@@H]42)O3)O1 ZINC000150346033 KJ Annotated Reactive in-vitro biogenic CCOC(=O)C1=C(C=O)/C(=C2/C[C@@H](c3ccc4c(c3)=C[CH+]N=4)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@](C)(O)[C@@H]2CCN(CCCOC)[C@@H](CC)C2)O3)O1 ZINC000150346053 KJ Annotated Reactive in-vitro biogenic CCOC(=O)C1=C(C=O)/C(=C2\CCC(=O)[C@@H](c3ccc4c(c3)=C[CH+]N=4)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@](C)(O)C2CCN(CCCOC)CC2)O3)O1 ZINC000150346087 KJ Annotated Reactive in-vitro biogenic CCOC(=O)C1=C(C=O)/C(=C2\CCC(=O)[C@H](c3ccc4c(c3)=C[CH+]N=4)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN[C@H](CCc2ccccc2)C1)C3 ZINC000150346167 KJ Annotated Reactive in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@H](c3ccc4c(c3)=C[CH+]N=4)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 ZINC000150346263 KJ Annotated Mild in-vitro biogenic CCOC(=O)C1=C(C=O)/C(=C2\CCC(=O)[C@H](c3ccc4c(c3)=C[CH+]N=4)C2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 ZINC000150346282 KJ Annotated Reactive in-vitro biogenic CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OC)/C(=C2\CCC(=O)[C@H](c4ccc5c(c4)=C[CH+]N=5)C2)C=C(C(=O)OCC)O3)O1 ZINC000150346318 KJ Annotated Mild in-vitro biogenic CCCCCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2OC)/C(=C2\CCC(=O)[C@H](c4ccc5c(c4)=C[CH+]N=5)C2)C(C=O)=C(C(=O)OCC)O3)O1 ZINC000150346321 KJ Annotated Reactive in-vitro biogenic C[C@H]1C[C@@H](C)/C=C(/C=O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O1 ZINC000150347108 KJ Annotated Reactive in-vitro COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCNC[C@H](C)O)c3)C[C@H](O)[C@H]2CCO)cc(OC[C@@H]2N[C@@H](C)CC3(CCCC3)[C@]23[C@H](C(=O)O)C=C[C@@H]3c2ccnc(N)c2)c1O ZINC000150347209 KJ Annotated Anodyne in-vitro biogenic CN[C@@H]1CSSC[C@@](C)(O)CC[C@@H]([C@H](C[C@@H](OC(=O)[C@@]23CCCC[C@@H]2CCC(=O)N3)C2(Cc3ccc(O)c4c3C[C@H](CCO)CO4)CCNCC2)OC(C)=O)CC[C@H]1O ZINC000150347257 KJ Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCO[C@H](CCO)NC[C@H](C)O)C1 ZINC000150347419 KJ Annotated Mild in-vitro biogenic COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC(C)C)[C@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000150347462 KJ Annotated Anodyne in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOCNC(=N)NC)C1 ZINC000150347463 KJ Annotated Mild in-vitro biogenic C=C(C)C(=O)O[C@H]1[C@@]2(C)C[C@@]3(OC(C)=O)[C@](C)(C4=C(C[C@@]13OC(C)=O)C1=C(O)C(=O)O[C@@H](c3ccoc3)[C@]1(C)CC4)[C@H]2CC(=O)OC ZINC000150347620 KJ Annotated Mild in-vitro CO[C@H](CO)CC[C@@H]1CCCC[C@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC4 ZINC000150348310 KJ Annotated Reactive in-vitro biogenic CC(C)[C@H]1CSSC[C@@H]2[C@@H](C#CCC3(CCCCC3)NCOc3c4cc(c5c3O[C@@H](O)[C@H]2C5)CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCO)c2C#CC4)/N=C(\N)N1 ZINC000150348346 KJ Annotated Reactive in-vitro biogenic CNCOc1c2cc(c3c1OC[C@H]([C@H]1CSSC[C@@H](C(C)C)NC4=N[C@H]1CCN4)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000150348395 KJ Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc3c4c(c1O)OC[C@@H](C4)[C@H]1C/N=C(\N)N[C@@H](C(C)C)CSS[C@H]1CC[C@H](C3)[C@@H](O)CC(=O)CC2 ZINC000150348396 KJ Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCC[C@@H]3CC[C@@](OC(C)=O)(CC2)C[C@H]3O)CC1=O ZINC000150348742 KJ Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CC[C@]2([C@H](C)O)C#C[C@@H]3CCC[C@]4(CNCCc5cccc(c5)[C@@H](Cc5cc(C)cc(C)c5)CNC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(C(O)O)cc2O)C[C@H]13 ZINC000150348795 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CC[C@@]23C#C[C@@H]4CCC[C@@]5(CNCCSSCC6(CCCCC6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]14 ZINC000150348796 KJ Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CC[C@@]2([C@H](C)O)C#C[C@@H]3CCC[C@]4(CNCCc5cccc(c5)CC5(CCCCC5)NC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(CO)cc2O)C[C@@H]13 ZINC000150348817 KJ Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2cc3c(cc2O)OC#CC2(CCCC2)[C@H]2C#C[C@H](O)c4ccc5c(c4CC4=CN=C6C=[N+](C=C46)[C@H]2O3)C=CN[C@@H]5N)[C@H](O)C1 ZINC000150348957 KJ Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@@H]2[C@@H](C#C[C@@H](O)c4ccc5c(c4CC4=CN=C6C=[N+]2C=C46)C=CN[C@@H]5N)C2(C#CO3)CCCC2)[C@@H](O)C1 ZINC000150348980 KJ Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1cc2c(cc1O)OC#CC1(CCCC1)[C@H]1C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+](C=C35)[C@H]1O2)C=CN[C@@H]4N ZINC000150348987 KJ Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)C=CN[C@@H]4N)C1(C#CO2)CCCC1 ZINC000150348999 KJ Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@@H]1[C@H](C#C[C@@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)C=CN[C@@H]4N)CC#CO2 ZINC000150349026 KJ Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@]45CCC[C@H]4CC4=CN[C@@H](N)c6cccc5c64)C3=C2)c1 ZINC000150349043 KJ Annotated Anodyne in-vitro biogenic CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(O[C@H](C[C@H](Cc5c[cH-]cn5)c5ccnc(N)c5)[C@H](O)CO)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000150349658 KJ Annotated Mild in-vitro biogenic CCC/C=C\c1ccccc1/C=C/C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(OC)c(O)c1Cl)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OC[C@H]1NC(=O)CNC1=O ZINC000150349687 KJ Annotated Anodyne CCc1cc(O)cc(C2(Oc3c(O[C@@H]4O[C@H](C(=O)O)[C@]5(O)[C@@H](C6=NC=N[CH+]6)C(Cc6ccnc(N)c6)=C[C@@]4(O)[C@@H]5O)cc4[o+]c(-c5ccc(OCC[C+]6C=CC(N)=N6)cc5)[cH-]c(=O)c4c3O)CCCC2)c1 ZINC000150351446 KJ Annotated Mild in-vitro biogenic CCc1cc(O)cc(COc2c(O[C@@H]3O[C@H](C(=O)O)[C@]4(O)[C@@H](C5=NC=N[CH+]5)C(Cc5ccccc5)=C[C@@]3(O)[C@@H]4O)cc3[o+]c(-c4ccc(OCC[C+]5C=CC(N)=N5)cc4)[cH-]c(=O)c3c2O)c1 ZINC000150351470 KJ Annotated Mild in-vitro biogenic CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150352396 KJ Annotated Anodyne in-man endogenous CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150352398 KJ Annotated Anodyne in-man endogenous CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150352399 KJ Annotated Anodyne in-man endogenous CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150352401 KJ Annotated Anodyne in-man endogenous CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@@H](O)CCCCCC[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150352403 KJ Annotated Anodyne in-man endogenous CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@@H](O)CCCCCC[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150352405 KJ Annotated Anodyne in-man endogenous CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@@H](O)CCCCCC[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150352406 KJ Annotated Anodyne in-man endogenous CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@@H](O)CCCCCC[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150352408 KJ Annotated Anodyne in-man endogenous CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C1[C@@]45CC[C@H]6c7c(cccc7CC#C[C@]31C(=O)O2)C=C[C@H](CCN4)[C@H]65)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352714 KJ Annotated Mild in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C([C@]14CC[C@@H]5c6ccccc6C=C[C@H](CCN1)[C@@H]54)[C@H]3C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352743 KJ Annotated Anodyne in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C1[C@]45CC[C@H](c6ccccc6CC#C[C@]31C(=O)O2)[C@H]4CCCN5)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352792 KJ Annotated Mild in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C1[C@]45C[C@H](CCCN4)[C@H](C5)c4ccccc4CC#C[C@]31C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352803 KJ Annotated Mild in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C1[C@@H]4NCC[C@H]5C=Cc6cccc(c6C[C@@H]54)CC#C[C@]31C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352865 KJ Annotated Mild in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C([C@H]1NCC[C@@H]4C=Cc5ccccc5C[C@H]14)[C@H]3C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352871 KJ Annotated Anodyne in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)C1(CCCC1)C(Cc1ccncc1)=C1[C@@H](NC)CCc4ccccc4CC#C[C@@]13C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352935 KJ Annotated Mild in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C1[C@H]4NCCC[C@H]4Cc4ccccc4CC#C[C@@]13C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352944 KJ Annotated Mild in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C1[C@]4(NC)CC[C@@H](C4)c4ccccc4CC#C[C@]31C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352979 KJ Annotated Mild in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C([C@@H]1NCCC[C@H]1Cc1ccccc1)[C@H]3C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352994 KJ Annotated Anodyne in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C([C@]1(NC)CC[C@H](c4ccccc4)C1)[C@H]3C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150353015 KJ Annotated Anodyne in-vitro biogenic CS(=O)(=O)N1CCC2(CC1)[C@H]1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@@H]1CN2C(=O)c1ccc2ccccc2c1 ZINC000150353087 KJ Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)[C@@H]1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@@H]1CN2C(=O)c1ccc2ccccc2c1 ZINC000150353088 KJ Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)[C@@H]1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@H]1CN2C(=O)c1ccc2ccccc2c1 ZINC000150353090 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353106 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353107 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353108 KJ Annotated Anodyne O=C1COc2ccc(S(=O)(=O)N3CCC4(CC3)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@@H]3CN4C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1 ZINC000150353123 KJ Annotated Anodyne O=C1COc2ccc(S(=O)(=O)N3CCC4(CC3)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@H]3CN4C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1 ZINC000150353125 KJ Annotated Anodyne O=C1COc2ccc(S(=O)(=O)N3CCC4(CC3)[C@H]3C(=O)N(c5ccccc5)C(=O)[C@@H]3CN4C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1 ZINC000150353126 KJ Annotated Anodyne C=C1[C@@H](OC(=O)[C@H](O)[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150353333 KJ Annotated Mild in-vitro biogenic CC(C)Cc1c2c(cc3c1O[C@@H]1c4cc(OO[C@@H]5[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O[C@H]5OCCN)c(Cc5cc(O)cc(CC6CCCCC6)c5)cc4OC[C@H]31)OCO2 ZINC000150353765 KJ Annotated Reactive in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C ZINC000150354442 KJ Annotated Mild in-vitro biogenic NCCOc1ccc(/C=C/C(=O)CO[C@@]2(C(=O)O)C[C@@H](O)[C@H]3OC[C@@H](CCc4ccccc4)C[C@@H](C(=O)/C=C/c4cc(O)c(O)cc4CO)O[C@]3(CNC3CCCCC3)C2)cc1O ZINC000150355081 KJ Annotated Mild in-vitro biogenic O=C(/C=C/c1ccc(O)c(O)c1)CO[C@@]1(C(=O)O)C[C@@H](O)[C@H]2OC[C@@H](CCc3ccccc3)C[C@@]3(C(=O)/C=C/c4ccc(O)c(O)c4)CC[C@H]1[C@H]2O3 ZINC000150355219 KJ Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](OC(C)=O)[C@@H]3CC(=O)[C@]4(C)O[C@@]4([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2(C)CC[C@H]1OC(=O)/C=C\c1ccccc1)C3(C)C ZINC000150357960 KJ Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](C[C@H](O)[C@H]2CCCC3(CCCC3)CC[C@@](O)(CC(=O)O)CN[C@]3(C)C[C@@H](N)N[C@H](C3)C3(CCCCC3)c3cccc(c3)C2)[C@@H]([N+]2=CC=N[CH+]2)C[C@H]1O ZINC000150358626 KJ Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](CC[C@H]2CCCCCC[C@@](O)(CC(=O)O)CN[C@@]3(C)C[C@@H](N)N[C@H](C3)C3(CCCCC3)c3cccc(c3)C2)[C@H]([N+]2=CC=N[CH+]2)C[C@H]1O ZINC000150358674 KJ Annotated Mild in-vitro biogenic CNCc1cc(OC)c(OC)c2c1[C@@H]1[C@@H]3Oc4c5c(cc(c4[C@@H]1O2)-c1cc(O)ccc1Cc1cccc(c1)C31CCCC1)O[C@@]12O[C@@](C(=O)O)(C=C[C@H]1N5)[C@@H](O)[C@H](O)[C@H]2O ZINC000150359824 KJ Annotated Anodyne in-vitro biogenic COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@@H]2OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150360132 KJ Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@@H]2OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150360134 KJ Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@H]2OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150360138 KJ Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@H]2OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150360141 KJ Annotated Anodyne O=c1cc(CCc2ccccc2)oc2c1[C@H](Oc1cc3c(=O)cc(CCc4ccccc4)oc3cc1O[C@@H]1c3c(oc(CCc4ccccc4)cc3=O)[C@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000150361075 KJ Annotated Anodyne in-vitro biogenic O=c1cc(CCc2ccccc2)oc2c1[C@H](Oc1cc3c(=O)cc(CCc4ccccc4)oc3cc1O[C@@H]1c3c(oc(CCc4ccccc4)cc3=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000150361080 KJ Annotated Anodyne in-vitro biogenic O=c1cc(CCc2ccccc2)oc2c1[C@H](Oc1ccc(O[C@@H]3[C@@H](O)c4c(oc(CCc5ccccc5)cc4=O)[C@@H](O)[C@@H]3O)c3c(=O)cc(CCc4ccccc4)oc13)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000150361087 KJ Annotated Anodyne in-vitro biogenic O=c1cc(CCc2ccccc2)oc2c1[C@H](Oc1cc3c(=O)cc(CCc4ccccc4)oc3cc1O[C@@H]1c3c(oc(CCc4ccccc4)cc3=O)[C@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O ZINC000150361094 KJ Annotated Anodyne in-vitro biogenic CCOC(=O)[C@@]1(C(=O)CBr)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150361982 KJ Annotated Reactive CCOC(=O)[C@@]1(C(=O)CBr)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150361985 KJ Annotated Reactive CCOC(=O)C1(C(=O)OCC)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150361992 KJ Annotated Reactive CCOC(=O)C1(C(=O)OCC)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150361995 KJ Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCCCC[C@@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150362588 KJ Annotated Anodyne in-man CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCCCC[C@@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150362592 KJ Annotated Anodyne in-man CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCCCC[C@@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150362594 KJ Annotated Anodyne in-man CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCCCC[C@@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150362596 KJ Annotated Anodyne in-man CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nc(-c7cc[n+]([O-])cc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000150371766 KJ Annotated Anodyne C=C1[C@@H](OC(=O)Cc2ccccn2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150377351 KJ Annotated Mild O=C(NCc1ccc(Cl)cc1)c1ccc(N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000150399894 KJ Annotated Anodyne O=C(NCc1ccc(Cl)cc1)c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000150399900 KJ Annotated Anodyne O=C(NCc1ccccc1Cl)c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000150399903 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCCCC[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000150514986 KJ Annotated Anodyne in-vitro CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC(=O)N[C@@H](CC[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C[C@](CCC=O)(C1)C[C@](CCC=O)(C3)C2 ZINC000150522095 KJ Annotated Mild CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC(=O)N[C@@H](CC[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C[C@@](CCC=O)(C1)C[C@@](CCC=O)(C3)C2 ZINC000150522096 KJ Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@@H]3CC[C@@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150523166 KJ Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(c(/C=N/[C@@H]4C(=O)N5[C@@H](C(=O)O)C(C)(C)S[C@H]45)c(O)c(O)c3C(C)C)C2=O)C(=O)c2c(/C=N/[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)c(O)c(O)c(C(C)C)c2C1=O ZINC000150532131 KJ Annotated Mild CCC[C@H]1C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCC)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CCC)C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCC)C(=O)O[C@@H](C)C(=O)N1C ZINC000150533139 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@@H](O)C(F)(F)F)CC2)c2ncnn12 ZINC000150533217 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@H](O)C(F)(F)F)CC2)c2ncnn12 ZINC000150533219 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(O)(CF)CF)CC2)c2ncnn12 ZINC000150533227 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1CCC[C@H]1CCCCCc1nc3ccc(OC)cc3cc1O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150533542 KJ Annotated Mild CO[C@@H]1C[C@H](C)CC2=C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)C(=O)C=C(NC(=O)/C(C)=C/C=C/[C@@H](OC)[C@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H]1O)C2=O ZINC000150539261 KJ Annotated Mild O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@]1([C@]34C[C@H]5C(=O)N[C@@H](Cc6ccccc6)C(=O)N5[C@H]3N(S(=O)(=O)c3ccccc3)c3ccccc34)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]21 ZINC000150539852 KJ Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@H]2C[C@@H]2[C@@H]1C(=O)NCCNC(N)=O ZINC000150539939 KJ Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)NCCNC(N)=O ZINC000150539942 KJ Annotated Anodyne CN(C)CCCn1c(=O)c2cc3cc(CCN4CCN(C)CC4)c4cc5c(=O)n(CCCN(C)C)c(=O)c6cc7cc(CCN8CCN(C)CC8)c8cc(c1=O)c2c1c3c4c(c65)c7c81 ZINC000150541187 KJ Annotated Bother CC(C)CCCNC(=O)N(C[C@@H](CCC(=O)O)NC(N)=O)[C@@H](CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)[C@@H](CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000150541446 KJ Annotated Anodyne CC(C)CCCNC(=O)N(C[C@H](CCC(=O)O)NC(N)=O)[C@@H](CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)[C@@H](CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000150541449 KJ Annotated Anodyne CC(C)CCCNC(=O)N(C[C@@H](CCC(=O)O)NC(N)=O)[C@H](CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)[C@@H](CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000150541451 KJ Annotated Anodyne CC(C)CCCNC(=O)N(C[C@H](CCC(=O)O)NC(N)=O)[C@H](CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)[C@@H](CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000150541453 KJ Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCCCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000150542334 KJ Annotated Reactive CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C(C)(C)[C@@H]4C[C@]56CCCN5C(=O)[C@]4(NC6=O)[C@H]4N5C(=O)[C@@]67CCCN6C(=O)[C@]56[C@@H](C7)C(C)(C)C5=[N+]([O-])c7c(ccc8c7C=CC(C)(C)O8)[C@]5(O)[C@@H]6[C@]234)O1 ZINC000150542627 KJ Annotated Anodyne O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@H](CC1=CNCN1)NC(=O)[C@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000150544229 KJ Annotated Anodyne O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@H](CC1=CNCN1)NC(=O)[C@@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000150544233 KJ Annotated Anodyne O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@@H](CC1=CNCN1)NC(=O)[C@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000150544235 KJ Annotated Anodyne O=C(N[C@H](CC1=CNCN1)C(=O)NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000150544238 KJ Annotated Anodyne COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCN/C=C3/C(=O)C[C@H](Cl)C3=O)cc1Br)[C@@H]2O ZINC000150544551 KJ Annotated Reactive COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCN/C=C3/C(=O)C[C@@H](Cl)C3=O)cc1Br)[C@@H]2O ZINC000150544553 KJ Annotated Reactive CN(C)CCCN1CCN(c2cc(=O)c3ccc4c(c3o2)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C(C)(C)O4)CC1 ZINC000150544956 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(c(CO)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150545673 KJ Annotated Anodyne C[C@H]1O[C@H](OC2=C(O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1 ZINC000150545686 KJ Annotated Anodyne C[C@H]1O[C@H](OC2=C(O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)cc2)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1 ZINC000150545690 KJ Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O ZINC000150545980 KJ Annotated Mild Cc1cccc2c1c(=O)c1c(NCCCN3CCN(CCCN4C(=O)c5cccc6cc([N+](=O)[O-])cc(c56)C4=O)CC3)ccc3ncn2c31 ZINC000150546998 KJ Annotated Bother CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)CN(C)C)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc5ccccc5c4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C ZINC000150548116 KJ Annotated Anodyne Cn1cnc(S(=O)(=O)N(CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CC[C@H](N(Cc3cncn3C)c3ccc(C#N)cc3)CC2)c1 ZINC000150548603 KJ Annotated Mild Cn1cnc(S(=O)(=O)N(CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CC[C@@H](N(Cc3cncn3C)c3ccc(C#N)cc3)CC2)c1 ZINC000150548933 KJ Annotated Mild O=C(NS(=O)(=O)c1ccccc1)[C@@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000150549601 KJ Annotated Anodyne O=C(NS(=O)(=O)c1ccccc1)[C@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000150549604 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)/C=C/n3cnc4cnc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150550503 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC(N(C)C)CC5)nc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150552107 KJ Annotated Mild CC(=O)OCC[C@H]1OC[C@@]1(OC(C)=O)[C@@H]1C(C)=C(OC(C)=O)C(=O)C2=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000150552610 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4cncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150553203 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC[C@H](NC)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150553312 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC[C@@H](NC)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150553318 KJ Annotated Mild C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OC(=O)COC(=O)CCC(=O)O)c1ccc(F)cc1F ZINC000150554312 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC(NC)CC5)nc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150554977 KJ Annotated Mild COC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc3c(c(OC)c2C(=O)[C@H](C(=O)N2CCC[C@@H]2NC(=O)C=C(C)C)[C@H]1c1ccccc1)OCO3 ZINC000150555174 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CBr)C(C)C)c2ccccc32)cc1 ZINC000150555737 KJ Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CBr)C(C)C)c2ccccc32)cc1 ZINC000150555745 KJ Annotated Reactive N#CC1=C(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000150556138 KJ Annotated Reactive N#CC1=C(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000150556145 KJ Annotated Reactive C=C(C)[C@@H](Cc1c(OC(C)=O)c(Cc2c(OC)c(C)c(OC(C)=O)c(C(C)=O)c2OC(C)=O)c(OC(C)=O)c(C(C)=O)c1OC(C)=O)OC(C)=O ZINC000150556940 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(N(C)C(=O)OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150558436 KJ Annotated Mild CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000150558916 KJ Annotated Mild COc1ccc(C[C@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3Cc4cccc(c4)Oc4cc(ccc4OCCN(Cc4ccccc4)Cc4ccccc4)C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1 ZINC000150559592 KJ Annotated Anodyne C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)/C=C/c3ccccc3)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000150559935 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC[C@H](CNC)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150561028 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC[C@@H](CNC)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150561035 KJ Annotated Mild CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000150561171 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000150561174 KJ Annotated Anodyne CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1 ZINC000150561683 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)NCc1nc(-c2nc(C(N)=S)co2)co1)C(C)C ZINC000150561969 KJ Annotated Reactive CC1=CC2=C(C(C)C)[C@H](O)C(=O)/C(=C\NCCCN3CCOCC3)[C@@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCOCC1)C(=O)C(O)=C2C(C)C ZINC000150563230 KJ Annotated Mild CC1=CC2=C(C(C)C)[C@H](O)C(=O)/C(=C\NCCCN3CCOCC3)[C@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCOCC1)C(=O)C(O)=C2C(C)C ZINC000150563233 KJ Annotated Mild CC1=CC2=C(C(C)C)[C@@H](O)C(=O)/C(=C\NCCCN3CCOCC3)[C@@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCOCC1)C(=O)C(O)=C2C(C)C ZINC000150563237 KJ Annotated Mild CC1=CC2=C(C(C)C)[C@@H](O)C(=O)/C(=C\NCCCN3CCOCC3)[C@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCOCC1)C(=O)C(O)=C2C(C)C ZINC000150563240 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1ccc3nc(-c4ccccc4)cc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150564264 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)N1CCC(CC1)OCCC/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150564368 KJ Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O ZINC000150567184 KJ Annotated Mild CC(C)[C@@H]1NC(=O)[C@@H]2[C@H](C)CCN2C(=O)CN/C(=N\[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(=O)NCc2ccccc2)c2nccs2)[C@@H](C)c2ccccc2)C(C)(C)C)[C@H](C(C)(C)C)NC1=O ZINC000150568744 KJ Annotated Mild O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCCCCCCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000150569103 KJ Annotated Anodyne O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCCCCCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000150569106 KJ Annotated Anodyne CC(C)SC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](/N=C1\NCC(=O)N2CC[C@@H](C)[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1C(C)(C)C)C(C)(C)C)[C@@H](C)c1ccccc1)c1nccs1 ZINC000150570569 KJ Annotated Mild CCCSC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](/N=C1\NCC(=O)N2CC[C@@H](C)[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1C(C)(C)C)C(C)(C)C)[C@@H](C)c1ccccc1)c1nccs1 ZINC000150570922 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC(N)CC5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150572440 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCCn3cnc4cnc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150572631 KJ Annotated Mild O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(c4ncccn4)CC3)n2)o1 ZINC000150572674 KJ Annotated Anodyne CCC/C=C\c1ccccc1/C=C/C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(OC)c(O)c1Cl)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OC[C@@H]1NC(=O)CNC1=O ZINC000150574034 KJ Annotated Anodyne CCC/C=C\c1ccccc1/C=C/C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@H](Cc1ccc(OC)c(O)c1Cl)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OC[C@@H]1NC(=O)CNC1=O ZINC000150574037 KJ Annotated Anodyne N#C/C(c1nnc(NC(=O)c2ccccc2)o1)=c1\sc(=O)/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)n1-c1ccccc1 ZINC000150574977 KJ Annotated Mild COC(=O)C1=C(C(=O)OC)[C@@H]2N(CCOCCN3c4ccccc4[C@]45CCC(=O)N(Cc6ccccc6)C4=NC(C(=O)OC)=C(C(=O)OC)[C@H]35)c3ccccc3[C@@]23CCC(=O)N(Cc2ccccc2)C3=N1 ZINC000150575063 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC[C@H](N(C)C)C5)nc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150575582 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC[C@@H](N(C)C)C5)nc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150575587 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4ncncc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150575797 KJ Annotated Mild C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(O)c6[C@H]([C@H]31)N4C)OCO5)NCC2 ZINC000150575961 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC[C@H](CN)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150576068 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC[C@@H](CN)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150576072 KJ Annotated Mild C=CCN1CCc2cc(O)c(OC)cc2[C@@]12CS[C@@H]1c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC2=O)N2[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]12)N3C)OCO4 ZINC000150576416 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](n2cc(-c3cc(Br)cc(Br)c3)nn2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150576520 KJ Annotated Mild CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4c(c5cc(OC)ccc5n4CC4=C[C@@]5(CCO)CC(C(=O)OC)=C6Nc7ccccc7[C@@]67CCN(C4)[C@@H]57)CCN([C@@H]13)[C@@H]2O ZINC000150577054 KJ Annotated Anodyne CC[C@@H]1C(=O)N(CC)C(=O)N(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C1=O ZINC000150579180 KJ Annotated Clean CC[C@H]1C(=O)N(CC)C(=O)N(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C1=O ZINC000150579186 KJ Annotated Clean Cc1nc2c(I)cc(I)cc2c(=O)n1Cc1ccc(I)cc1 ZINC000150580321 KJ Annotated Anodyne CC(C)[C@@H]1NC(=O)[C@@H]2[C@H](C)CCN2C(=O)CN/C(=N\[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(=O)N2CCN(Cc3ccccc3)CC2)c2nccs2)[C@@H](C)c2ccccc2)C(C)(C)C)[C@H](C(C)(C)C)NC1=O ZINC000150581345 KJ Annotated Mild CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150583277 KJ Annotated Anodyne COCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@H](O)C(=O)/C4=C\NCCOCCOCCOC)C=C3C)c(O)c21 ZINC000150583294 KJ Annotated Mild COCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@H](O)C(=O)/C4=C\NCCOCCOCCOC)C=C3C)c(O)c21 ZINC000150583299 KJ Annotated Mild COCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@@H](O)C(=O)/C4=C\NCCOCCOCCOC)C=C3C)c(O)c21 ZINC000150583302 KJ Annotated Mild COCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@@H](O)C(=O)/C4=C\NCCOCCOCCOC)C=C3C)c(O)c21 ZINC000150583305 KJ Annotated Mild CN(C)c1ccc([C@@H]2[C@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585019 KJ Annotated Clean CN(C)c1ccc([C@H]2[C@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585024 KJ Annotated Clean CN(C)c1ccc([C@@H]2[C@@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585030 KJ Annotated Clean CN(C)c1ccc([C@H]2[C@@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585033 KJ Annotated Clean COc1cc2c(cc1O)CCN(C(=O)c1cccnc1)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150585324 KJ Annotated Mild COc1ccc([C@@H]2[C@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585413 KJ Annotated Anodyne COc1ccc([C@H]2[C@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585418 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585420 KJ Annotated Anodyne COc1ccc([C@H]2[C@@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585423 KJ Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)c1ccncc1)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150586172 KJ Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]3C[C@]2(OC3(C)C)[C@@]1(C)O ZINC000150587512 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]3C[C@@]2(OC3(C)C)[C@@]1(C)O ZINC000150587514 KJ Annotated Anodyne CCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)OC)[C@H]3C[C@H](OC(C)=O)[C@H](C)[C@@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000150588661 KJ Annotated Mild CC1=C(CC(=O)OC/C=C\COc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150591482 KJ Annotated Anodyne CC1=C(CC(=O)OC/C=C\COc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150591486 KJ Annotated Anodyne CC1=C(CC(=O)OC/C=C\COc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000150591495 KJ Annotated Anodyne CC(=O)O[C@@]1([C@@H]2C(C)=C(O)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2cccc(Cl)c2)C3(C)C)CO[C@@H]1CCO ZINC000150591505 KJ Annotated Mild CC1=C(CC(=O)OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150591905 KJ Annotated Anodyne CC1=C(CC(=O)OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150591909 KJ Annotated Anodyne CC1=C(CC(=O)OCCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000150591942 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC[C@H](N)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150592276 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC[C@@H](N)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150592278 KJ Annotated Mild CO[C@H]1C(=O)[C@]2(C)CC[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C1C2(C)C ZINC000150592886 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000150593093 KJ Annotated Mild CC(C)/N=C(/NCCCn1cc(-c2ccc3ccc4ccc(-c5cn(CCCN/C(=N\C(C)C)NC(C)C)nn5)nc4c3n2)nn1)NC(C)C ZINC000150595370 KJ Annotated Mild O=C(NCCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1cccc(CNC(=O)C23CC4C[C@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1 ZINC000150595743 KJ Annotated Reactive O=C(NCCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@@H](C4)C3)c1 ZINC000150595761 KJ Annotated Reactive C=C1[C@@H](OC(=O)c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000150596442 KJ Annotated Mild COc1ccc(C(OC[C@H](O)CNCCNC[C@@H](O)COC(c2ccc(OC)c(OC)c2OC)c2ccc(OC)c(OC)c2OC)c2ccc(OC)c(OC)c2OC)c(OC)c1OC ZINC000150596795 KJ Annotated Anodyne CCN1C[C@@H]2C[C@@H](C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000150597766 KJ Annotated Anodyne CCN1C[C@@H]2C[C@H](C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000150597772 KJ Annotated Anodyne CCN1C[C@H]2C[C@H](C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000150597777 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598283 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1[C@@H]3CC[C@@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598289 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@@H]3CC[C@H](C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598297 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@@H]3CC[C@@H](C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598301 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@H]3CC[C@@H](C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598336 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@@H]3CC[C@@H](C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598340 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@@H]3CC[C@@H](C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598344 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@@H]3CC[C@@H](C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598348 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC(O)(C(F)(F)F)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598361 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1CC(O)(C(F)(F)F)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598364 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1CC(O)(C(F)(F)F)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598369 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1CC(O)(C(F)(F)F)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598373 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1CC(O)(C(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598379 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1CC(O)(C(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598382 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1CC(O)(C(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598386 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC(O)(C(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598390 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@H](C)N[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598421 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@H](C)N[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598424 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@H](C)N[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598425 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@H](C)N[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598430 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@H](C)N(C)[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598434 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@H](C)N(C)[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598437 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@H](C)N(C)[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598440 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@H](C)N(C)[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598442 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@H](C)N(C(C)=O)[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598444 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@H](C)N(C(C)=O)[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598447 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@H](C)N(C(C)=O)[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598448 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@H](C)N(C(C)=O)[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598450 KJ Annotated Anodyne NS(=O)(=O)c1ccc(-c2nsc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN3CCOCC3)n2)cc1 ZINC000150599809 KJ Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C ZINC000150600172 KJ Annotated Mild COc1ccc(CN2C(=O)[C@@H]3[C@H]4C(=O)O[C@H](c5ccccc5)[C@@H](C)N(C)C(=O)CC/C=C/[C@H]4O[C@@]34C=CCN(Cc3ccccc3)C(=O)[C@@H]24)cc1 ZINC000150600920 KJ Annotated Anodyne COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccc(OCCO)cc3)[C@@]13C(=O)Nc1ccc(C#CCNC(N)=O)cc13)CC2 ZINC000150601199 KJ Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccccc3OCCO)[C@]13C(=O)Nc1ccc(C#CCNC(N)=O)cc13)CC2 ZINC000150601202 KJ Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12 ZINC000150601272 KJ Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12 ZINC000150601372 KJ Annotated Mild CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](NC(=O)c3sc4cccc(Cl)c4c3Cl)CN2C1=O ZINC000150601424 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7(CN6C(=O)[C@@H](NC(=O)OC)C(C)C)OCCO7)[nH]5)cc4)cc3)[nH]1)OCCO2)C(C)C ZINC000150601615 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)Nc2ccc(Cl)cc2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O ZINC000150601911 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)Nc2ccc(C(F)(F)F)cc2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O ZINC000150601915 KJ Annotated Anodyne COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccccc2OCCO)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)NC[C@H](O)c1ccccc1)C(=O)OC ZINC000150601960 KJ Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(O)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCN(c2ncccn2)CC1)C(=O)OC ZINC000150601976 KJ Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(O)cc1)C(=O)OC ZINC000150602010 KJ Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(OCCO)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)NC[C@H](O)c1ccccc1)C(=O)OC ZINC000150602022 KJ Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)NC[C@H](O)c2ccccc2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(OCCO)cc1)C(=O)OC ZINC000150602042 KJ Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)NC[C@H](O)c2ccccc2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO)C(=O)OC ZINC000150602158 KJ Annotated Mild CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O ZINC000150602391 KJ Annotated Anodyne COc1ccc(NC(=O)O[C@H]2[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc4ccccc4)C(=O)O[C@H]3[C@@H](OC)O[C@@H]2CO)cc1 ZINC000150602606 KJ Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCNC(N)=O)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150602613 KJ Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12 ZINC000150602697 KJ Annotated Mild CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccc(C(F)(F)F)cc4C3)CN2C1=O ZINC000150602851 KJ Annotated Anodyne COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccccc3OCCO)[C@@]13C(=O)Nc1ccc(C#CCNC(N)=O)cc13)CC2 ZINC000150602874 KJ Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150602887 KJ Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12 ZINC000150602962 KJ Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12 ZINC000150602985 KJ Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@@H]2CCN(C)[C@]23C(=O)Nc2ccccc23)C[C@]2(C1=O)[C@H](c1ccccc1OC)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000150603147 KJ Annotated Mild CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000150603172 KJ Annotated Mild CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3ccccc3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000150604183 KJ Annotated Mild COc1ccc([C@@H](CC(=O)c2ccc(O)cc2)[C@H](C(=O)c2ccc(O)cc2)[C@@H](c2ccc(OC)cc2)C2C(=O)NC(=S)NC2=O)cc1 ZINC000150604253 KJ Annotated Anodyne COc1ccc([C@H](CC(=O)c2ccc(O)cc2)[C@H](C(=O)c2ccc(O)cc2)[C@@H](c2ccc(OC)cc2)C2C(=O)NC(=S)NC2=O)cc1 ZINC000150604255 KJ Annotated Anodyne COc1ccc([C@@H](CC(=O)c2ccc(O)cc2)[C@@H](C(=O)c2ccc(O)cc2)[C@@H](c2ccc(OC)cc2)C2C(=O)NC(=S)NC2=O)cc1 ZINC000150604257 KJ Annotated Anodyne COc1ccc([C@H](CC(=O)c2ccc(O)cc2)[C@@H](C(=O)c2ccc(O)cc2)[C@@H](c2ccc(OC)cc2)C2C(=O)NC(=S)NC2=O)cc1 ZINC000150604260 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCNCC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605339 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(CCS(C)(=O)=O)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605364 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OCCCN1CCOCC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605393 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OCCCN1CCN(C)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605396 KJ Annotated Mild C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OC(=O)C[N+](C)(C)C)c1ccc(F)cc1F ZINC000150606617 KJ Annotated Mild CN(C)/C=N/c1nc2c(ncn2COCCO[P@](=O)(NC(C)(C)C(=O)OCc2ccccc2)Oc2cccc3ccccc23)c(=O)[nH]1 ZINC000150606716 KJ Annotated Mild CN(C)/C=N/c1nc2c(ncn2COCCO[P@@](=O)(NC(C)(C)C(=O)OCc2ccccc2)Oc2cccc3ccccc23)c(=O)[nH]1 ZINC000150606717 KJ Annotated Mild Cc1ccc(O)c(-c2nn(C)cc2C#Cc2ccc(NC(=O)[C@@H]3COCCN3C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)c1 ZINC000150607166 KJ Annotated Mild CCOC(=O)C1=C(C)N(C[C@H](O)COc2ccc(/C=N/C(=S)Nc3ccc(OC)cc3)cc2)C(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000150609585 KJ Annotated Mild CCOC(=O)C1=C(C)N(C[C@H](O)COc2ccc(/C=N/C(=S)Nc3ccc(OC)cc3)cc2)C(=S)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000150609588 KJ Annotated Mild CCOC(=O)C1=C(C)N(C[C@@H](O)COc2ccc(/C=N/C(=S)Nc3ccc(OC)cc3)cc2)C(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000150609591 KJ Annotated Mild CCOC(=O)C1=C(C)N(C[C@@H](O)COc2ccc(/C=N/C(=S)Nc3ccc(OC)cc3)cc2)C(=S)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000150609595 KJ Annotated Mild CCOC(=O)C1=C(C)N(C[C@H](O)COc2ccc(/C=N/C(=S)Nc3ccccc3OC)cc2)C(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000150609964 KJ Annotated Mild CCOC(=O)C1=C(C)N(C[C@H](O)COc2ccc(/C=N/C(=S)Nc3ccccc3OC)cc2)C(=S)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000150609965 KJ Annotated Mild CCOC(=O)C1=C(C)N(C[C@@H](O)COc2ccc(/C=N/C(=S)Nc3ccccc3OC)cc2)C(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000150609966 KJ Annotated Mild CCOC(=O)C1=C(C)N(C[C@@H](O)COc2ccc(/C=N/C(=S)Nc3ccccc3OC)cc2)C(=S)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000150609967 KJ Annotated Mild O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=C(O)O[C@H](CO)C1=O ZINC000150611338 KJ Annotated Mild C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)C ZINC000150611559 KJ Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C ZINC000150611563 KJ Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)C ZINC000150611579 KJ Annotated Reactive COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc1)=CC3=O)C2=O ZINC000150611766 KJ Annotated Mild COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc1)=CC3=O)C2=O ZINC000150611771 KJ Annotated Mild COc1cc([C@@H]2CC(C(=NNc3ccc([N+](=O)[O-])cc3)C3=NC(=S)N[C@H](c4ccc(O)c(OC)c4)C3)=NC(=S)N2)ccc1O ZINC000150611799 KJ Annotated Mild COc1cc([C@@H]2CC(C(=NNc3ccc([N+](=O)[O-])cc3)C3=NC(=S)N[C@@H](c4ccc(O)c(OC)c4)C3)=NC(=S)N2)ccc1O ZINC000150611801 KJ Annotated Mild COc1cc([C@H]2CC(C(=NNc3ccc([N+](=O)[O-])cc3)C3=NC(=S)N[C@@H](c4ccc(O)c(OC)c4)C3)=NC(=S)N2)ccc1O ZINC000150611804 KJ Annotated Mild COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)CCCCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)cc1C(C)C ZINC000150611869 KJ Annotated Anodyne COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O[C@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc1)=CC3=O)C2=O ZINC000150612554 KJ Annotated Mild COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc1)=CC3=O)C2=O ZINC000150612557 KJ Annotated Mild CCS(=O)(=O)N(C(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)c1cccc2c(S(=O)(=O)Nc3ccccc3)cccc12 ZINC000150612631 KJ Annotated Anodyne COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc1)=CC3=O)C2=O ZINC000150613918 KJ Annotated Mild COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc1)=CC3=O)C2=O ZINC000150613924 KJ Annotated Mild C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(=O)c3cccnc3)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(=O)C(C)C ZINC000150614979 KJ Annotated Mild CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000150619981 KJ Annotated Mild CC(=O)O[C@@]1([C@@H]2C(C)=C(O)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2cccc(Cl)c2)C3(C)C)CO[C@@H]1CCO ZINC000150621279 KJ Annotated Mild COC(=O)CN1Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)C1 ZINC000150623506 KJ Annotated Clean O=C(Nc1cccc(NC(=O)C(=O)[C@@H]2CCC3=C(Sc4ccccc4N3)C2=O)n1)C(=O)[C@@H]1CCC2=C(Sc3ccccc3N2)C1=O ZINC000150636634 KJ Annotated Mild O=C(Nc1cccc(NC(=O)C(=O)[C@H]2CCC3=C(Sc4ccccc4N3)C2=O)n1)C(=O)[C@@H]1CCC2=C(Sc3ccccc3N2)C1=O ZINC000150636637 KJ Annotated Mild O=C(Nc1cccc(NC(=O)C(=O)[C@H]2CCC3=C(Sc4ccccc4N3)C2=O)n1)C(=O)[C@H]1CCC2=C(Sc3ccccc3N2)C1=O ZINC000150636645 KJ Annotated Mild CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(Oc3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)cc2OC(C)=O)c1 ZINC000150646275 KJ Annotated Anodyne CC(=O)c1c(O)cc2c(c1O)C(=O)C(CC1=C(O)C(C)(C)c3cc(O)c(C(C)=O)c(O)c3C1=O)=C(O)C2(C)C ZINC000154655806 KJ Annotated Mild C/C(=N\NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1ccc(NC(=O)c2ccoc2C)cc1 ZINC000015905758 KJ Annotated Reactive CC(=O)N[C@@H](C)c1nc2ccccc2n1CCCN1CCN(c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000015933654 KJ Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4cccc(Cl)c4)C(=O)N23)c1 ZINC000015935777 KJ Annotated Anodyne COc1ccc(N2C(=O)N3[C@H](c4ccc(Cl)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(C)C2=O)cc1 ZINC000015936624 KJ Annotated Anodyne CC[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 ZINC000015936664 KJ Annotated Anodyne Cc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc([C@@H](C)N)n5CCCO)CC3)n2)cc1 ZINC000015937148 KJ Annotated Anodyne Cc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc([C@H](C)N)n5CCCO)CC3)n2)cc1 ZINC000015937149 KJ Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1 ZINC000015937437 KJ Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000015937454 KJ Annotated Bother NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000015937456 KJ Annotated Bother C[C@@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] ZINC000015937484 KJ Annotated Bother C[C@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] ZINC000015937485 KJ Annotated Bother CC(C)[C@@H](/C(O)=N/C1CCN(Cc2ccccc2)CC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000015957177 KJ Annotated Mild COc1ccc(C[C@@H](C(=O)NCCCCCNC(=O)[C@H](Cc2cc(I)c(OC)c(I)c2)N(C)C)N(C)C)cc1I ZINC000156184811 KJ Annotated Anodyne C=CC1=C(C)/C(=C/C2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@H]3C(=O)OC)[C@H](CCC(=O)O)[C@H]2C)NC1=O ZINC000156244795 KJ Annotated Anodyne CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(C4=C(O)C(O)=C(c5ccc(O)cc5)C(=O)C4=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1OC ZINC000158073223 KJ Annotated Mild COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C3=N1 ZINC000158707961 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000159941207 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000159941347 KJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c2OC(C)=O)c1 ZINC000160508080 KJ Annotated Anodyne CCOC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n([C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1C ZINC000160843173 KJ Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CCl)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O ZINC000160874521 KJ Annotated Reactive CCCCCCCCCCCCCCCCOC[C@H](CCl)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O ZINC000160874669 KJ Annotated Reactive CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000160950411 KJ Annotated Mild COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000161134876 KJ Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000161333482 KJ Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)c(I)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000161333588 KJ Annotated Anodyne C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000161495828 KJ Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000161519225 KJ Annotated Mild C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000161553818 KJ Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(O)c(I)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000161553933 KJ Annotated Anodyne COC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc3c(c(OC)c2C(=O)[C@H](C(=O)N2CCC[C@@H]2NC(=O)CC(C)C)[C@H]1c1ccccc1)OCO3 ZINC000161752282 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000162195504 KJ Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CBr)C(C)C)c2ccccc32)cc1 ZINC000162236641 KJ Annotated Reactive O=C(Nc1ccccc1)O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000162292208 KJ Annotated Mild C[C@@]12C(=O)n3cnc4c3[C@@]3(C[C@H]1Br)N2c1cc(Br)cc(Br)c1[C@@]31CC(=O)N1C=C4Br ZINC000162319343 KJ Annotated Reactive COc1c2c(c3c(c1OC)[C@@]1(OC)C4=C(C(=O)[C@@H](OC)[C@@]1(OC)O3)[C@H](OC)C[C@@H](c1ccccc1)O4)[C@H](O)C[C@@H](c1ccccc1)O2 ZINC000162348299 KJ Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](C)O)C[C@@H]3O[C@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1 ZINC000162466057 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1 ZINC000162466194 KJ Annotated Clean CCCCCCCCCCN[C@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000162466425 KJ Annotated Mild CO/C(C)=C/C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1nccs1)C(C)C ZINC000162636347 KJ Annotated Anodyne C=CC[C@@H]1/C=C(/C)CCOC(=O)OC(=O)CCCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O ZINC000162645931 KJ Annotated Reactive C=CC[C@H]1/C=C(/C)CCOC(=O)OC(=O)CCCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O ZINC000162646084 KJ Annotated Reactive CCC(=O)N[C@@H](CO)COc1ccc([C@@H](O)CNC(=O)[C@@H](O)CCC[C@H](O)[C@@H](O)[C@H](Cl)CCCCCCC[C@H](O)CCCCCCCCCCCCOC[C@@H](N)CO)cc1 ZINC000162773833 KJ Annotated Reactive CCC[C@H](OC(C)=O)C1=C(Br)[C@@]2(OC1=O)[C@@H](Br)[C@H](Br)[C@@]21OC(=O)C([C@@H](CCC)OC(C)=O)=C1Br ZINC000162951783 KJ Annotated Reactive CCOC(=O)N[C@H](C)[C@H](O)CCCCCCCC(=O)CCCCCCCCCCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](C)N ZINC000163121843 KJ Annotated Anodyne C=C1[C@@H]([C@@]2(C)C=CC(=O)OC(C)(C)[C@@H]2CC(=O)OC)[C@@H](OC=O)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132 ZINC000163123847 KJ Annotated Mild CCCCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)C1=CO/C(=C2/C=CC=CC2=O)N1)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000163125668 KJ Annotated Mild in-vivo CCCCCCCCCCC[C@@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)C1=CO/C(=C2/C=CC=CC2=O)N1)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000163125776 KJ Annotated Mild in-vivo CCCCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)C1=CO/C(=C2/C=CC=CC2=O)N1)[C@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000163125881 KJ Annotated Mild in-vivo CCCCCCCCCCC[C@@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)C1=CO/C(=C2/C=CC=CC2=O)N1)[C@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000163126019 KJ Annotated Mild in-vivo CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c3c2Oc2c(OC(C)=O)cc(OC(C)=O)cc2O3)c1 ZINC000163220540 KJ Annotated Anodyne COC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc3c(c(OC)c2C(=O)[C@H](C(=O)N2CCC[C@H]2NC(=O)CC(C)C)[C@H]1c1ccccc1)OCO3 ZINC000163251557 KJ Annotated Anodyne CCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3C(C(=O)OCCCCCCC[C@H]4N=C(N)N5CCCC5=C4C(=O)OCCCCN=C(N)N)=C(C)NC(=N1)N23 ZINC000163300242 KJ Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCCCC)co2)cc1 ZINC000163365102 KJ Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCCCC)co2)cc1 ZINC000163365202 KJ Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCc3ccco3)co2)cc1 ZINC000163366430 KJ Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCc3ccco3)co2)cc1 ZINC000163366558 KJ Annotated Mild CCC#CCOC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2ccc(OCCCCCC)cc2)n1 ZINC000163369360 KJ Annotated Mild CCC#CCOC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2ccc(OCCCCCC)cc2)n1 ZINC000163369500 KJ Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000163369907 KJ Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000163370004 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2ccccc2N)cs1 ZINC000163378198 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2ccccc2N)cs1 ZINC000163378320 KJ Annotated Mild CCCCNC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163379022 KJ Annotated Mild CCCCNC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163379159 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2ccco2)cs1 ZINC000163380275 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2ccco2)cs1 ZINC000163380390 KJ Annotated Mild CCC#CCOC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163383577 KJ Annotated Mild CCC#CCOC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163383712 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000163384554 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000163384666 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)OCCCCN(C)C)cs1 ZINC000163385010 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)OCCCCN(C)C)cs1 ZINC000163385121 KJ Annotated Mild CCCCOC(=O)COC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163385489 KJ Annotated Mild CCCCOC(=O)COC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163385625 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)OCCc2ccccn2)cs1 ZINC000163387881 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)OCCc2ccccn2)cs1 ZINC000163388011 KJ Annotated Mild CCCCNC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163389262 KJ Annotated Mild O[C@H](OCC(CO[C@@H](O)C(Cl)(Cl)Cl)(CO[C@@H](O)C(Cl)(Cl)Cl)CO[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000163389364 KJ Annotated Anodyne in-man CCCCNC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163389380 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NCc2ccco2)cc1 ZINC000163390481 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NCc2ccco2)cc1 ZINC000163390606 KJ Annotated Mild C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCCC/C=C\c1cc3c(nccc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000163393224 KJ Annotated Mild CCC#CCOC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163393461 KJ Annotated Mild CCC#CCOC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163393557 KJ Annotated Mild Cc1ccc(S(=O)(=O)N/C(N)=N/CCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)OCC(C)(C)N(C)C)cc1 ZINC000163394010 KJ Annotated Mild Cc1ccc(S(=O)(=O)N/C(N)=N/CCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)OCC(C)(C)N(C)C)cc1 ZINC000163394105 KJ Annotated Mild COc1cccc(CNC(=O)[C@H](CSCNC(C)=O)NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000163394231 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000163394354 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N/C(N)=N/CCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)OCCCCN(C)C)cc1 ZINC000163394487 KJ Annotated Mild Cc1ccc(S(=O)(=O)N/C(N)=N/CCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)OCCCCN(C)C)cc1 ZINC000163394624 KJ Annotated Mild CCCCOC(=O)COC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163394779 KJ Annotated Mild CCCCOC(=O)COC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163394898 KJ Annotated Mild CCOc1ccccc1-c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000163397160 KJ Annotated Mild CCOc1ccccc1-c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000163397270 KJ Annotated Mild CCCCN(CCCC)CCNC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000163398677 KJ Annotated Mild CCCCN(CCCC)CCNC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000163398809 KJ Annotated Mild CCOc1ccccc1-c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163398966 KJ Annotated Mild CCOc1ccccc1-c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163399068 KJ Annotated Mild NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2Cc1ccccc1Cl ZINC000163407236 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000163407825 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000163407956 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCCCN2CCN(C)CC2)cs1 ZINC000163415280 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCCCN2CCN(C)CC2)cs1 ZINC000163415395 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCOCCN2CCNCC2)cs1 ZINC000163415543 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCOCCN2CCNCC2)cs1 ZINC000163415669 KJ Annotated Anodyne CC(=O)O[C@@]1([C@@H]2/C(C)=C(\O)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2cccc(Cl)c2)C3(C)C)CO[C@@H]1CCO ZINC000163417696 KJ Annotated Mild CC(=O)O[C@@]1([C@@H]2/C(C)=C(\O)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2cccc(Cl)c2)C3(C)C)CO[C@@H]1CCO ZINC000163417887 KJ Annotated Mild O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCOCCN1CCNCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163419515 KJ Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCOCCN1CCNCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163419647 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163508509 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163508611 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)NCCC2=CCCCC2)cc1 ZINC000163513630 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)NCCC2=CCCCC2)cc1 ZINC000163513758 KJ Annotated Mild COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCc3cccc(OC(F)(F)F)c3)cs2)c1 ZINC000163518853 KJ Annotated Mild COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCc3cccc(OC(F)(F)F)c3)cs2)c1 ZINC000163518963 KJ Annotated Mild COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)OCCC3CCCCC3)cs2)c1 ZINC000163522364 KJ Annotated Mild COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)OCCC3CCCCC3)cs2)c1 ZINC000163522491 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163528301 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163528407 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3ccc4ccccc4c3)n2)C(=O)NCCC2=CCCCC2)cc1 ZINC000163528812 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3ccc4ccccc4c3)n2)C(=O)NCCC2=CCCCC2)cc1 ZINC000163528926 KJ Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000163589855 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000163589971 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000163602869 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000163602991 KJ Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)cc(OC)c1OC ZINC000163672571 KJ Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)cc(OC)c1OC ZINC000163672681 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)cc(OC)c1OC ZINC000163672809 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)cc(OC)c1OC ZINC000163672916 KJ Annotated Anodyne CN(CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1)C(=O)CCC[N+]1=c2cc3c(cc2CCC1)=Cc1ccc(N(C)C)cc1C3(C)C ZINC000163749773 KJ Annotated Clean COC(=O)c1cccc(S(=O)(=O)N2c3ccc(C(=O)N4CCN(C)CC4)c(=O)n3[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000163780643 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc2cc(-c3ccc(-c4ccc5[nH]c([C@@H]6C[C@@H](O)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)cc3)ccc2[nH]1)C(C)C ZINC000163815553 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000163926365 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000163926480 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000163926588 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000163926707 KJ Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H](C)O1 ZINC000164015274 KJ Annotated Clean CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000164026601 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000164026733 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000164026850 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000164026966 KJ Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000164177965 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000164178091 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000164178217 KJ Annotated Clean COc1cc2c(cc1OC)C(=O)N([C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164236394 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164236517 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164236649 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164236776 KJ Annotated Anodyne CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000164271496 KJ Annotated Anodyne O=C(NCCCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)OCc1ccccc1 ZINC000164371623 KJ Annotated Anodyne O=C(NCCCC[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)OCc1ccccc1 ZINC000164371740 KJ Annotated Anodyne O=C(NCCCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)OCc1ccccc1 ZINC000164371857 KJ Annotated Anodyne O=C(NCCCC[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)OCc1ccccc1 ZINC000164371985 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164429759 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164429896 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164430020 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164430155 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C(c1ccccc1)c1ccccc1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000164447195 KJ Annotated Anodyne O=C1Nc2cccc(Cl)c2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1Cc1ccc(O)cc1 ZINC000164447337 KJ Annotated Anodyne O=C1Nc2cccc(Cl)c2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1Cc1ccc(O)cc1 ZINC000164447452 KJ Annotated Anodyne O=C1Nc2cccc(Cl)c2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1Cc1ccc(O)cc1 ZINC000164447558 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164500127 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164500250 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164500386 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164500491 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C(c1ccccc1)c1ccccc1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000164517662 KJ Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1Cc1ccc(O)cc1 ZINC000164517799 KJ Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1Cc1ccc(O)cc1 ZINC000164517927 KJ Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1Cc1ccc(O)cc1 ZINC000164518042 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000164582337 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000164582469 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000164582596 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000164582716 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000164688441 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000164688566 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000164688672 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000164688790 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164692686 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164692807 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164692940 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164693049 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164753011 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164753140 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164753261 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164753392 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000164770396 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000164770506 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000164770633 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000164770743 KJ Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2C ZINC000164859715 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000164876487 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000164876603 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000164902078 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000164902199 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000164902320 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000164902436 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164905006 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164905118 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164905240 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164905380 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164925439 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164925561 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164925679 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164925807 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000164947364 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000164947477 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000164947603 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000164947709 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000164973443 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000164973561 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000164973689 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000164973820 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000164974415 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000164974525 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000164974654 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000164974780 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000164974917 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000164975055 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000164975190 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000164975311 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164976447 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164976557 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164976678 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000164976807 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165012236 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165012386 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165012517 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165012629 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165012749 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165012878 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165013011 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165013133 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165013269 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165013395 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165013531 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165013661 KJ Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C[C@@H]5CNCCOC5)nc34)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000165026906 KJ Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C[C@H]5CNCCOC5)nc34)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000165027024 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165140992 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165141100 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165141212 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165141332 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165141459 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165141576 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165141688 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165141818 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165202778 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165202903 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165203025 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165203135 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165203259 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165203383 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165203494 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165203603 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165216011 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165216114 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165224715 KJ Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165224834 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165230777 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165230888 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165231015 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165231141 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165231279 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165231384 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165231503 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165231631 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165231757 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165231884 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165232003 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165232121 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165256959 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165257083 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165265482 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165265589 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165265699 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165265824 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165267871 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165267987 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165268101 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165268218 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165268357 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165268486 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165268599 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165268721 KJ Annotated Anodyne CN1CCN(c2cc(NC(=O)c3ccc(F)c(Nc4ncnc5cnc(N[C@@H]6CCOC6)nc45)c3)cc(C(F)(F)F)c2F)CC1 ZINC000165274041 KJ Annotated Anodyne CN1CCN(c2cc(NC(=O)c3ccc(F)c(Nc4ncnc5cnc(N[C@H]6CCOC6)nc45)c3)cc(C(F)(F)F)c2F)CC1 ZINC000165274169 KJ Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000165276368 KJ Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165390652 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165390784 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165390924 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CNC[C@@]3(COC4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165393454 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CNC[C@@]3(COC4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165393590 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CNC[C@]3(COC4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165393710 KJ Annotated Anodyne CNC(=O)N1C[C@@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165415729 KJ Annotated Anodyne CNC(=O)N1C[C@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165415860 KJ Annotated Anodyne CNC(=O)N1C[C@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165415992 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CNC[C@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165421747 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CNC[C@@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165421875 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CNC[C@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165422010 KJ Annotated Anodyne CCOCCN1C[C@@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n1C2)C3 ZINC000165423557 KJ Annotated Anodyne CCOCCN1C[C@@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n1C2)C3 ZINC000165423680 KJ Annotated Anodyne CCOCCN1C[C@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n1C2)C3 ZINC000165423825 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165515281 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165515407 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165522397 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165522518 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165524078 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165524226 KJ Annotated Anodyne COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2C[C@@H](O)CO)CC1 ZINC000165540887 KJ Annotated Anodyne COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2C[C@H](O)CO)CC1 ZINC000165541023 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165544784 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165544905 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165545051 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165545176 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165561450 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165561571 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165566452 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165566588 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165566706 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165566849 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165571809 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165571933 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165572058 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165572166 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165574688 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165574814 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165574932 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165575066 KJ Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165584444 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165584586 KJ Annotated Mild COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165590987 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165591116 KJ Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165607357 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165607501 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165607645 KJ Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165607787 KJ Annotated Mild COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165616103 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165616252 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000165616395 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000165616526 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165616657 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165616779 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165616925 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165617066 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165626599 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165626723 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165626844 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165626979 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165628622 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165628731 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165628858 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165628977 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165630663 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165630767 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165630852 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165630980 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165631124 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165631260 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165631385 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165631514 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165641909 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165642051 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165642182 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165642303 KJ Annotated Mild CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165653490 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165653632 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165653757 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165653889 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165682872 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165682994 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165683134 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165683256 KJ Annotated Mild CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165699520 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165699658 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165699791 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165699918 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165705130 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165705254 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165705383 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165705491 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165718589 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165718708 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165718840 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165718967 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165720639 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165720765 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165720903 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165721024 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165723263 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165723379 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165723499 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165723637 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165736567 KJ Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165736701 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165736830 KJ Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165736956 KJ Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165737094 KJ Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165737212 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165737350 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165737475 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165737616 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165737747 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165737874 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165738006 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165739068 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165739189 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165747416 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165747520 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165750478 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165750604 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165754116 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165754263 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165754388 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165754527 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165754671 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165754803 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165754949 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165755064 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165755806 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165755931 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165764150 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165764279 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165767901 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165768024 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165768162 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165768296 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165768429 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165768570 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165768718 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165768845 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165769839 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165769966 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165772517 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165772598 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165772990 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165773115 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165778804 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165778935 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165784449 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165784571 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165784694 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165784821 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165786535 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165786665 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165786775 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165786918 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165788640 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165788771 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165788897 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165789026 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165789164 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165789283 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165789411 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165789531 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165797551 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165797697 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165797829 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165797967 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165799280 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165799404 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165799531 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165799642 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165809687 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165809791 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165809922 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165810050 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165814133 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165814262 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165814952 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165815082 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165818149 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165818264 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165818380 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165818502 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165818912 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165819040 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165825583 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165825701 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165825838 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165825964 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165826120 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165826238 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165826340 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165826480 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165826635 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165826770 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165826894 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165827019 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165850670 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165850787 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165850914 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165851040 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165851179 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165851291 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165851405 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165851524 KJ Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165873759 KJ Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165873880 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165877143 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165877248 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165880363 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165880472 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165880594 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165880718 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165882850 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165882977 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165883104 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165883246 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165883379 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165883502 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165883630 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165883755 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165900043 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165900160 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165900288 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165900411 KJ Annotated Anodyne C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000165907739 KJ Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000165907873 KJ Annotated Mild CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165954072 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165954175 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165954321 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165954456 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O ZINC000166024828 KJ Annotated Mild COc1cc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000166228243 KJ Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000166228364 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000166228484 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000166228613 KJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3OC(C)=O)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000166229562 KJ Annotated Anodyne CC(=O)OC[C@H](Br)[C@@]1(C)CC=C2[C@@H](C1)[C@H](OC(C)=O)C[C@H]1[C@@]2(C)C[C@@H](OC(C)=O)[C@@H]2C[C@@]21C ZINC000166265321 KJ Annotated Reactive COc1ccc(C[C@H]2NC(=O)C[C@@H](C[C@H](O)[C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000166289035 KJ Annotated Anodyne CC(=O)Oc1cccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000166289831 KJ Annotated Anodyne CC[C@H](C)[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000166293955 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](O)C=C(C)C)[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000166405727 KJ 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](OC(C)=O)[C@H]1O ZINC000166721927 KJ 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]1OC(C)=O ZINC000166722392 KJ 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]1OC(C)=O ZINC000166723436 KJ Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000166776047 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)C(C)C ZINC000166906882 KJ Annotated Mild NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(N[C@@H](O)c4ccccc4)c3)ncnc12 ZINC000167016247 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(N[C@@H](O)c4ccccc4)c3)ncnc12 ZINC000167016359 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(N[C@H](O)c4ccccc4)c3)ncnc12 ZINC000167016473 KJ Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(N[C@H](O)c4ccccc4)c3)ncnc12 ZINC000167016578 KJ Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167397481 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C4CCN(C)CC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167400714 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(OC(F)(F)F)c2)c1C#Cc1ccc(N)nc1 ZINC000167435624 KJ Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(C(F)(F)F)c2)c1C#Cc1ccc(N)nc1 ZINC000167437754 KJ Annotated Mild CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCC4(CC3)CN(C)C4)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167478929 KJ Annotated Mild CC(C)(C)OC(=O)NCCNC(=O)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167486033 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCNC(=O)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167486149 KJ Annotated Anodyne NC(=O)[C@H](N[C@@H]1CC[C@@H](c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 ZINC000167505896 KJ Annotated Anodyne O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1 ZINC000167574450 KJ Annotated Mild in-vitro CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167660162 KJ Annotated Anodyne CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167660273 KJ Annotated Anodyne Cn1cccc1CNC(=O)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167807103 KJ Annotated Anodyne CN1CC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000168043938 KJ Annotated Anodyne NC(=O)[C@@H](N[C@H]1CC[C@@H](c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 ZINC000168149428 KJ Annotated Anodyne NC(=O)[C@H](N[C@H]1CC[C@@H](c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 ZINC000168149547 KJ Annotated Anodyne NC(=O)[C@@H](N[C@@H]1CC[C@@H](c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 ZINC000168314957 KJ Annotated Anodyne N#Cc1ncc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(N2CC[C@H](S(=O)(=O)c3cccc(Cl)c3Cl)C2)n1 ZINC000168557341 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1c[nH]c3ccccc13)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000168776218 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000168784962 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc3[nH]ccc3c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000168937664 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC(F)F ZINC000169026746 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnc3ccccc3c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169040995 KJ Annotated Mild CC[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169051111 KJ Annotated Anodyne CC[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169051209 KJ Annotated Anodyne CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169051305 KJ Annotated Anodyne CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169051392 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1CCCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169126571 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CCC ZINC000169131137 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc3c(ccn3C)c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169133774 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCCC1 ZINC000169134355 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1CC)C1(C)CCCCC1)C1(C)CCCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169137415 KJ Annotated Mild CC(C)Nc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cccnc4)c3)ccnc21 ZINC000169240602 KJ Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(-c4ccoc4)c3)c12 ZINC000169240947 KJ Annotated Anodyne CCNc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C(F)F)c5)c4)ccnc32)ccc1C(N)=O ZINC000169244563 KJ Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(N(O)C3CCCCC3)c2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169248868 KJ Annotated Anodyne CCC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169251178 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)C(C)C ZINC000169252236 KJ Annotated Mild CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(C)C(C)C ZINC000169252603 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCCC1 ZINC000169252763 KJ Annotated Mild COCCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCC(F)(F)CC4)c23)C[C@@H]1C ZINC000169271959 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1(C)CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169278419 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(C)C1CCC1 ZINC000169279281 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CCC ZINC000169279682 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc3ccccc3[nH]1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169279791 KJ Annotated Mild Cc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CC[C@@H](NS(C)(=O)=O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169283764 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CC/C=C\c3cccc(c3)[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169289458 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CC/C=C/c3cccc(c3)[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169289459 KJ Annotated Anodyne CC(=O)OC/C1=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000169289460 KJ Annotated Anodyne CC(=O)OC/C1=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(/C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000169289461 KJ Annotated Anodyne CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(/C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000169289462 KJ Annotated Anodyne CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)Nc1nc(cs1)CCC/C=C\c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000169289556 KJ Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c[nH]c4ccccc34)C(=O)N2)cc1 ZINC000169289664 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCOc3cccc(c3)[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169289686 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNC(C)(C)C)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1C ZINC000169289889 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNC(C)(C)C)C[C@@H](C)C(=O)/C=C/C(C)=C\[C@@H]1C ZINC000169289890 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNC(C)(C)C)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@@H]1C ZINC000169289891 KJ Annotated Mild CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32 ZINC000169290038 KJ Annotated Anodyne COc1ccc(OC[C@@H](O)CN(C[C@@H](O)COc2ccc(OC)cc2)[C@@H](C)COC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N(C[C@@H](O)COc2ccc(OC)cc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000169290102 KJ Annotated Anodyne COc1ccc(OC[C@H](O)CN(C[C@@H](O)COc2ccc(OC)cc2)[C@@H](C)COC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N(C[C@@H](O)COc2ccc(OC)cc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000169290103 KJ Annotated Anodyne COc1ccc(OC[C@@H](O)CN(C[C@H](O)COc2ccc(OC)cc2)[C@@H](C)COC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N(C[C@@H](O)COc2ccc(OC)cc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000169290104 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1 ZINC000169290149 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H](CCCc3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl ZINC000169290181 KJ Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169290220 KJ Annotated Anodyne COC(=O)[C@@H]1C/C=C/COc2ccc3ccccc3c2-c2c(ccc3ccccc23)OCC(=O)N[C@H](CCCCN)C(=O)N1 ZINC000169290566 KJ Annotated Anodyne CC(C)=CCN1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N4/C=C/C(C)(C)c5[nH]c6ccccc6c5C=C4C(=O)N3[C@H]12 ZINC000169290577 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169290678 KJ Annotated Clean CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169290679 KJ Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169290680 KJ Annotated Clean CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)[C@@H](O)C(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290719 KJ Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)[C@@H](O)C(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290720 KJ Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)[C@@H](O)C(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290721 KJ Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)[C@@H](O)C(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290722 KJ Annotated Mild CC(=O)O[C@@H]1[C@@H]2/C=C(/C)[C@H](OC(=O)c3ccccc3)C[C@@H](OC(C)=O)C(C)(C)C/C=C(\C)C(=O)[C@@]2(O)C[C@H]1C ZINC000169290902 KJ Annotated Mild CC(=O)O[C@@H]1[C@@H]2/C=C(\C)[C@H](OC(=O)c3ccccc3)C[C@@H](OC(C)=O)C(C)(C)C/C=C(/C)C(=O)[C@@]2(O)C[C@H]1C ZINC000169290903 KJ Annotated Mild CC(=O)O[C@@H]1[C@@H]2/C=C(/C)[C@H](OC(=O)c3ccccc3)C[C@@H](OC(C)=O)C(C)(C)C/C=C(/C)C(=O)[C@@]2(O)C[C@H]1C ZINC000169290904 KJ Annotated Mild CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C/C=C(\C)C/C(C)=C\C=C/CC[C@H](C)CNC(=O)/C=C\C=C/[C@@H]2C)O[C@@H]1C ZINC000169290985 KJ Annotated Anodyne CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C/C=C(/C)C/C(C)=C\C=C/CC[C@H](C)CNC(=O)/C=C\C=C/[C@@H]2C)O[C@@H]1C ZINC000169290986 KJ Annotated Anodyne CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C/C=C(\C)C/C(C)=C/C=C\CC[C@H](C)CNC(=O)/C=C\C=C/[C@@H]2C)O[C@@H]1C ZINC000169290987 KJ Annotated Anodyne CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C/C=C(/C)C/C(C)=C/C=C\CC[C@H](C)CNC(=O)/C=C\C=C/[C@@H]2C)O[C@@H]1C ZINC000169290988 KJ Annotated Anodyne CC(=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)/C=C/[C@@H](O)C(C)(C)O ZINC000169291103 KJ Annotated Mild CC(=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)/C=C/[C@H](O)C(C)(C)O ZINC000169291104 KJ Annotated Mild C=C[C@H]1CN2CC[C@@]34c5cc([C@@H](C)C6=CN7CC[C@]89c%10ccccc%10N[C@H]8[C@@H](CO)[C@H]6C[C@H]79)ccc5N[C@@H]3[C@@H](CO)[C@@H]1C[C@@H]24 ZINC000169291112 KJ Annotated Mild C=C[C@@H]1CN2CC[C@@]34c5cc([C@@H](C)C6=CN7CC[C@]89c%10ccccc%10N[C@H]8[C@@H](CO)[C@H]6C[C@H]79)ccc5N[C@@H]3[C@@H](CO)[C@@H]1C[C@@H]24 ZINC000169291113 KJ Annotated Mild Cc1ccc(/C=C2\CN3C[C@@]4(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2[C@@]42C(=O)c4ccccc4[C@@]32O)cc1 ZINC000169291145 KJ Annotated Mild Cc1ccc(/C=C2\CN3C[C@]4(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2[C@@]42C(=O)c4ccccc4[C@@]32O)cc1 ZINC000169291146 KJ Annotated Mild Cc1ccccc1/C=C1\CN2C[C@@]3(C1=O)[C@@H](c1ccccc1C)[C@@H]1CCCN1[C@@]31C(=O)c3ccccc3[C@@]21O ZINC000169291189 KJ Annotated Mild Cc1ccccc1/C=C1\CN2C[C@]3(C1=O)[C@@H](c1ccccc1C)[C@@H]1CCCN1[C@@]31C(=O)c3ccccc3[C@@]21O ZINC000169291190 KJ Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C[C@H](c2ccccc2)[C@@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000169291309 KJ Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C[C@H](c2ccccc2)[C@@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@H]13 ZINC000169291310 KJ Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C[C@H](c2ccccc2)[C@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000169291312 KJ Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C[C@H](c2ccccc2)[C@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@H]13 ZINC000169291314 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@H]1C/C=C\c1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000169291316 KJ Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(CNCCCN9CCOCC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169291329 KJ Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CC[N+]([O-])(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169291335 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CC[N+]([O-])(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169291336 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CC[N+]([O-])(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169291338 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CC[N+]([O-])(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169291340 KJ Annotated Mild C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C\C[C@H](OCSC)[C@@H]1C ZINC000169291425 KJ Annotated Anodyne C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OCSC)[C@@H]1C ZINC000169291426 KJ Annotated Anodyne C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C\C[C@H](OCSC)[C@@H]1C ZINC000169291491 KJ Annotated Anodyne C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OCSC)[C@@H]1C ZINC000169291492 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169291493 KJ Annotated Anodyne C=C(C)[C@@]12C[C@@H](C)[C@@]34O[C@]5(CCCCCCC[C@@H](C)[C@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000169291512 KJ Annotated Mild C=C(C)[C@@]12C[C@@H](C)[C@@]34O[C@@]5(CCCCCCC[C@@H](C)[C@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000169291513 KJ Annotated Mild CCc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@](O)(CC)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)CC=CN4CC[C@]21[C@@H]43 ZINC000169291523 KJ Annotated Anodyne COC(=O)c1coc(-c2coc(/C=C/CC[C@@H](C)[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)C(N)=O)n2)n1 ZINC000169291526 KJ Annotated Mild COC(=O)c1coc(-c2coc(/C=C/CC[C@H](C)[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)C(N)=O)n2)n1 ZINC000169291527 KJ Annotated Mild COC(=O)c1coc(-c2coc(/C=C/CC[C@@H](C)[C@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)C(N)=O)n2)n1 ZINC000169291529 KJ Annotated Mild COC(=O)c1coc(-c2coc(/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)C(N)=O)n2)n1 ZINC000169291531 KJ Annotated Mild CCSc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@](O)(CC)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)CC=CN4CC[C@]21[C@@H]43 ZINC000169291612 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@@]1(C)C/C=C\c1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000169291632 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169291676 KJ Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169291677 KJ Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169291678 KJ Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169291679 KJ Annotated Bother CC(=O)O[C@H]1[C@@H](C)/C=C\C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O ZINC000169291721 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O ZINC000169291722 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(CN9CCOCC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169291723 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@H]1CCC/C=C\c1cc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1 ZINC000169291742 KJ Annotated Mild C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@]5(CCCCCCC[C@H](C)[C@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@@H]3[C@H]1O5)[C@@H]64)O2 ZINC000169291781 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1CCC[C@H]1C/C=C\c1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000169291826 KJ Annotated Mild CC(=O)O[C@@H]1[C@H]2O[C@@]3(C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3/C=C(/C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C1(C)C)[C@@H](OC(C)=O)[C@H]2C ZINC000169291860 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(SCC(=O)O)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169291931 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(C(C)=O)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169291986 KJ Annotated Anodyne C/C1=C\[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23c2ccc([nH]2)C(=O)C1=O ZINC000169291998 KJ Annotated Mild C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23c2ccc([nH]2)C(=O)C1=O ZINC000169291999 KJ Annotated Mild CC(=O)OC[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C\[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1OC(C)=O)C3(C)C ZINC000169292007 KJ Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)[C@@H]1[C@H](/C=C/C[C@@H]2OC(=O)[C@H](C)[C@@H](O)[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C ZINC000169292041 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)[C@H]1[C@H](C)[C@H](O)[C@H](C)[C@@H]1/C=C/C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000169292042 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)[C@@H]1[C@H](/C=C/C[C@@H]2OC(=O)[C@H](C)[C@@H](O)[C@@H]2C)[C@H](C)[C@@H](O)[C@H]1C ZINC000169292043 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)[C@H]1[C@H](C)[C@H](O)[C@@H](C)[C@@H]1/C=C/C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000169292044 KJ Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169292057 KJ Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)\C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169292058 KJ Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169292059 KJ Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169292060 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)N1CCC(CC1)OCCC/C=C\c1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000169292065 KJ Annotated Mild C=C1[C@@H](OC(=O)[C@@H](C)CC)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C\[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000169292116 KJ Annotated Mild C=C1[C@@H](OC(=O)[C@@H](C)CC)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000169292117 KJ Annotated Mild C=C1[C@@H](OC(=O)[C@H](C)CC)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C\[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000169292119 KJ Annotated Mild C=C1[C@@H](OC(=O)[C@H](C)CC)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000169292120 KJ Annotated Mild CC[C@H]1[C@@H]2[C@H]([C@@H](C)c3c[nH]c4ccccc34)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@H](O)/C(C)=C\[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169292258 KJ Annotated Mild CC[C@H]1[C@@H]2[C@H]([C@@H](C)c3c[nH]c4ccccc34)NC(=O)[C@@]23C(=O)/C=C/C(=O)[C@H](O)/C(C)=C\[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169292259 KJ Annotated Mild CC[C@H]1[C@@H]2[C@H]([C@@H](C)c3c[nH]c4ccccc34)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169292260 KJ Annotated Mild CC[C@H]1[C@@H]2[C@H]([C@@H](C)c3c[nH]c4ccccc34)NC(=O)[C@@]23C(=O)/C=C/C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169292261 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@H]2O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169292322 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@H]2O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169292323 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@H]2O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169292324 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@H]2O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169292325 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169292492 KJ Annotated Anodyne in-man CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169292493 KJ Annotated Anodyne in-man CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169292494 KJ Annotated Anodyne in-man CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(CNCCN9CCOCC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169292639 KJ Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 ZINC000169292745 KJ Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)\C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 ZINC000169292746 KJ Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 ZINC000169292747 KJ Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 ZINC000169292748 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000169292819 KJ Annotated Anodyne in-man COc1cc(OC)cc([C@@H]2[C@H](C)C(=O)C[C@H](c3cc(OC)cc(OC)c3)N2C(=O)Cn2cnc3ccccc32)c1 ZINC000169292881 KJ Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000169293371 KJ Annotated Anodyne O=C1C(C2=N[C@H](c3ccccn3)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000169293517 KJ Annotated Mild O=C1C(C2=N[C@@H](c3ccccn3)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000169293518 KJ Annotated Mild O=C1C(C2=N[C@H](c3ccccn3)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000169293519 KJ Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(N)=O)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169293567 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=O)NC)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169293619 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(C)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169293628 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169293826 KJ Annotated Anodyne C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(N=[N+]=[N-])c3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(=O)CNC(=O)OC(C)(C)C)C[C@H]1OC[C@]13OC(C)=O ZINC000169293871 KJ Annotated Mild C[C@@H]1CCC/C=C\CCC(=O)C[C@@H](O)C/C=C\C=C/[C@@H](OC(=O)CCC(=O)O)C/C=C\C=C/C(=O)O1 ZINC000169294102 KJ Annotated Anodyne C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C\C=C/[C@@H](OC(=O)CCC(=O)O)C/C=C\C=C/C(=O)O1 ZINC000169294103 KJ Annotated Anodyne C[C@@H]1CCC/C=C\CCC(=O)C[C@@H](O)C/C=C/C=C\[C@@H](OC(=O)CCC(=O)O)C/C=C\C=C/C(=O)O1 ZINC000169294104 KJ Annotated Anodyne C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C/C=C\[C@@H](OC(=O)CCC(=O)O)C/C=C\C=C/C(=O)O1 ZINC000169294105 KJ Annotated Anodyne O=C1N[C@@H](c2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169294109 KJ Annotated Anodyne CO[C@@H]1C[C@H](C)CC2=C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@@H](OC)[C@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H]1O)C2=O ZINC000169294401 KJ Annotated Mild CO[C@@H]1C[C@H](C)CC2=C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](OC)[C@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H]1O)C2=O ZINC000169294402 KJ Annotated Mild CO[C@@H]1C[C@H](C)CC2=C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@@H](OC)[C@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H]1O)C2=O ZINC000169294403 KJ Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@@H]2OC(=O)/C(=C/[C@H]1O)[C@H]2N[C@H]1C2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@H]1O ZINC000169294545 KJ Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@@H]2OC(=O)/C(=C\[C@H]1O)[C@H]2N[C@H]1C2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@H]1O ZINC000169294546 KJ Annotated Mild CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(SC)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294651 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169294680 KJ Annotated Clean CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169294681 KJ Annotated Clean CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169294682 KJ Annotated Clean CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169294683 KJ Annotated Clean CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4c(I)cccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294690 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(Br)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294773 KJ Annotated Anodyne C=C1[C@@H](OC(=O)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)C(C)(C)/C=C\[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000169294854 KJ Annotated Mild C/C1=C\[C@@H](OC(=O)C2CCCCC2)C(=O)/C=C\C=C/c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169295011 KJ Annotated Reactive C/C1=C/[C@@H](OC(=O)C2CCCCC2)C(=O)/C=C\C=C/c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169295012 KJ Annotated Reactive C/C1=C/[C@@H](OC(=O)C2CCCCC2)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169295013 KJ Annotated Reactive COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169295027 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(I)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169295097 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4c(Br)cccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169295113 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000169295217 KJ Annotated Anodyne COCC#Cc1ccc([C@@H]2[C@@H](C)CC[C@@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(C#CCOC)cc4)C(=O)N23)cc1 ZINC000169295419 KJ Annotated Mild COCC#Cc1ccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](CC[C@H](C)[C@@H]4c4ccc(C#CCOC)cc4)C(=O)N32)cc1 ZINC000169295420 KJ Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(C#CCOC)cc4)C(=O)N23)cc1 ZINC000169295421 KJ Annotated Mild COCC#Cc1ccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](CC[C@@H](C)[C@@H]4c4ccc(C#CCOC)cc4)C(=O)N32)cc1 ZINC000169295423 KJ Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C=O)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169295639 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169295703 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169295704 KJ Annotated Anodyne CN1CCC[C@@H](C(NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@@H]2CCCN(C)C2)C1 ZINC000169295964 KJ Annotated Anodyne CN1CCC[C@H](C(NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@@H]2CCCN(C)C2)C1 ZINC000169295965 KJ Annotated Anodyne CC[C@]1(NC(=O)NCc2ccccn2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296224 KJ Annotated Anodyne CCNC(=O)N(C)[C@@]1(CC)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296301 KJ Annotated Anodyne CCCNC(=O)N[C@@]1(CC)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296407 KJ Annotated Anodyne CC[C@@H](C)N1CCC2(CC1)N=c1c3c(O)c4c(O)c(C)c5c(c4c1=N2)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(\C)C(=O)N3)O5 ZINC000169296456 KJ Annotated Anodyne CC[C@@H](C)N1CCC2(CC1)N=c1c3c(O)c4c(O)c(C)c5c(c4c1=N2)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N3)O5 ZINC000169296457 KJ Annotated Anodyne CC[C@@H](C)N1CCC2(CC1)N=c1c3c(O)c4c(O)c(C)c5c(c4c1=N2)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N3)O5 ZINC000169296458 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CN4CCNCC4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169296538 KJ Annotated Reactive CC[C@]1(OC(=O)N(C)C)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296619 KJ Annotated Anodyne CC[C@]1(NC(=O)NC(C)C)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296743 KJ Annotated Anodyne CCOP(=O)(CNC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)OCC ZINC000169296803 KJ Annotated Anodyne CCOP(=O)(OCC)[C@H](C)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000169296848 KJ Annotated Anodyne CCOC(=O)C[C@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)P(=O)(OCC)OCC ZINC000169296910 KJ Annotated Anodyne CC(=O)OC/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000169297454 KJ Annotated Mild CC(=O)OC/C1=C/C[C@H]2[C@@H](/C=C(/C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000169297455 KJ Annotated Mild CC(=O)OC/C1=C\C[C@H]2[C@@H](/C=C(/C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000169297456 KJ Annotated Mild CCOP(=O)(OCC)[C@@H](C)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000169297672 KJ Annotated Anodyne CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(C)=O)C=C(I)C(=O)[C@]6(COC(C)=O)[C@H]4CC[C@@]32C)OC1=O ZINC000169297796 KJ 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@]56[C@@H](OC(=O)c5ccc(Cl)cc5)C=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1 ZINC000169297801 KJ Annotated Mild COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169297838 KJ Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169297841 KJ Annotated Bother CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](C(=O)O)N2 ZINC000169297936 KJ Annotated Reactive CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](C(=O)O)N2 ZINC000169297939 KJ Annotated Reactive CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](C(=O)O)N2 ZINC000169297941 KJ Annotated Reactive CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](C(=O)O)N2 ZINC000169297943 KJ Annotated Reactive CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCC[C@@H]67)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000169298258 KJ Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NC(=O)CC/C=C\Cc2[nH]c3ccc(Cl)cc3c2CNC1=O ZINC000169298426 KJ Annotated Anodyne CCC1=C[C@@H]2CN(C1)C[C@H](C(=O)OC)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169298603 KJ Annotated Anodyne CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)C[C@@H]2C=C(CC)CN(C2)C1 ZINC000169298604 KJ Annotated Anodyne CCC1=C[C@@H]2CN(C1)[C@H](C(=O)NC(C)(C)C)[C@H](C(=O)OC)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169298622 KJ Annotated Anodyne CCC1=C[C@@H]2CN(/C=C(/C(=O)OC)Cc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169298624 KJ Annotated Anodyne CCC1=C[C@@H]2CN(C1)/C(C(=O)NC(C)C)=C(/C(=O)OC)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169298671 KJ Annotated Anodyne C=CCNC(=O)/C1=C(\C(=O)OC)Cc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)C[C@@H]2C=C(CC)CN1C2 ZINC000169298673 KJ Annotated Mild COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298732 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298733 KJ Annotated Anodyne CCN(CC)CCC(=O)N[C@@H]1CC2(N3CCN(C)CC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169298842 KJ Annotated Anodyne CN1CCN(C23C[C@H](NC(=O)CCN4CCCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298851 KJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000169298918 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000169298963 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169299216 KJ Annotated Clean CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169299218 KJ Annotated Clean CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169299220 KJ Annotated Clean CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169299222 KJ Annotated Clean C=C1[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000169299833 KJ Annotated Mild CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]12C ZINC000169299834 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O[C@@H](C)c2ccccc2)[C@H](O)CO[C@@H]1O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)[C@H](C)C(=O)CCC(C)C ZINC000169299856 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O[C@@H](C)c2ccccc2)[C@H](O)CO[C@@H]1O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)[C@H](C)C(=O)CCC(C)C ZINC000169299857 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000169299858 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000169299859 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169299898 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169299899 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169299900 KJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169300130 KJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169300131 KJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169300133 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169300278 KJ Annotated Clean CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169300279 KJ Annotated Clean CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169300280 KJ Annotated Clean CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169300281 KJ Annotated Clean CN1[C@H]2Cc3cnc4c(-c5ccc(Cl)c(O)c5)c(-c5ccncc5)nn4c3[C@H]1C[C@H]2S(=O)(=O)c1ccccc1 ZINC000169300289 KJ Annotated Anodyne CN1[C@H]2C[C@@H](S(=O)(=O)c3ccccc3)[C@@H]1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12 ZINC000169300290 KJ Annotated Anodyne CN[C@@H]1[C@@H](O)C[C@H](O[C@@H]2C/C=C(\C)C/C(C)=C\C=C/CC[C@@H](C)CNC(=O)/C=C\C=C/[C@H]2C)O[C@H]1C ZINC000169300965 KJ Annotated Anodyne CN[C@@H]1[C@@H](O)C[C@H](O[C@@H]2C/C=C(\C)C/C(C)=C/C=C\CC[C@@H](C)CNC(=O)/C=C\C=C/[C@H]2C)O[C@H]1C ZINC000169300966 KJ Annotated Anodyne CN[C@@H]1[C@@H](O)C[C@H](O[C@@H]2C/C=C(/C)C/C(C)=C/C=C\CC[C@@H](C)CNC(=O)/C=C\C=C/[C@H]2C)O[C@H]1C ZINC000169300967 KJ Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2[C@H](c4cccs4)[C@@H]4C(=O)N(c5ccc(C)cc5)C(=O)[C@H]4N2[C@@H]3c2cccs2)cc1 ZINC000169301119 KJ Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2[C@H](c4cccs4)[C@H]4C(=O)N(c5ccc(C)cc5)C(=O)[C@H]4N2[C@H]3c2cccs2)cc1 ZINC000169301120 KJ Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccs4)N4[C@@H]5C(=O)N(c6ccc(C)cc6)C(=O)[C@H]5[C@H](c5cccs5)N4[C@@H]3C2=O)cc1 ZINC000169301121 KJ Annotated Anodyne CC[C@]1(NC(=O)N2CCSCC2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169301229 KJ Annotated Anodyne CC[C@]1(NC(=O)N2CC=CCC2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169301232 KJ Annotated Anodyne CC[C@]1(NC(=O)N2CCCC2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169301239 KJ Annotated Anodyne CCCC[C@H](C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000169301428 KJ Annotated Mild CCCC[C@H](C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000169301429 KJ Annotated Mild CCCC[C@@H](C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000169301430 KJ Annotated Mild CCCC[C@@H](C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000169301431 KJ Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000169301679 KJ Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)C[C@H]2O[C@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000169301680 KJ Annotated Mild COC(=O)C[C@H]1[C@@]2(C)C[C@]34O[C@@]5(C)O[C@@]6([C@H](OC)[C@@]3(OC)[C@@H]2OC(C)=O)[C@@H]2/C(=C(/OC)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)C(C)C)[C@@H](OC)[C@]6(O5)[C@]14C ZINC000169301882 KJ Annotated Anodyne in-vitro COC(=O)C[C@H]1[C@]2(C)C[C@]34O[C@@]5(C)O[C@@]6([C@H](OC)[C@@]3(OC)[C@@H]2OC(C)=O)[C@@H]2/C(=C(/OC)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)C(C)C)[C@@H](OC)[C@]6(O5)[C@]14C ZINC000169301883 KJ Annotated Anodyne COC(=O)C[C@H]1[C@@]2(C)C[C@@]34O[C@@]5(C)O[C@@]6([C@H](OC)[C@@]3(OC)[C@@H]2OC(C)=O)[C@@H]2/C(=C(/OC)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)C(C)C)[C@@H](OC)[C@]6(O5)[C@]14C ZINC000169301884 KJ Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C[C@@]34O[C@@]5(C)O[C@@]6([C@H](OC)[C@@]3(OC)[C@@H]2OC(C)=O)[C@@H]2/C(=C(/OC)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)C(C)C)[C@@H](OC)[C@]6(O5)[C@]14C ZINC000169301885 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000169302688 KJ Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169302778 KJ Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169302780 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000169303219 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303318 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303320 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303321 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303322 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303355 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303357 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303358 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169303940 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169303941 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169303942 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169303944 KJ Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000169304544 KJ Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000169304547 KJ Annotated Anodyne NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccc(F)c(F)c3)[C@@H](O)[C@@H]2CCc2ccc(F)c(F)c2)c1 ZINC000169304558 KJ Annotated Anodyne NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccc(F)c(F)c3)[C@H](O)[C@@H]2CCc2ccc(F)c(F)c2)c1 ZINC000169304561 KJ Annotated Anodyne O=C1CCCc2cc(S(=O)(=O)Nc3cnccc3C(=O)Nc3nc(-c4ccccc4)cs3)ccc2N1 ZINC000169304791 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169305211 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169305214 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169305215 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169305216 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305407 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305408 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305410 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305412 KJ Annotated Anodyne COc1ccc([C@@H]2C=CC[C@@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccccc2F)cc1 ZINC000169305504 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccc(F)cc1 ZINC000169305671 KJ Annotated Anodyne CC(=O)NCCCC[C@@H]1N[C@@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000169306174 KJ Annotated Anodyne CC(=O)NCCCC[C@H]1N[C@@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000169306175 KJ Annotated Anodyne C/C1=C\[C@@H](OC(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)/C=C\C=C/c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169306231 KJ Annotated Reactive C/C1=C/[C@@H](OC(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)/C=C\C=C/c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169306232 KJ Annotated Reactive C/C1=C/[C@@H](OC(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169306233 KJ Annotated Reactive S=C1NNC2(N1)[C@H]1CCC[C@H]2[C@@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000169306401 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169306713 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169306715 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169306719 KJ Annotated Anodyne Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CC(=O)NC3CC3)cs2)c1 ZINC000169306741 KJ Annotated Anodyne CCNC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306743 KJ Annotated Anodyne Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c1 ZINC000169306745 KJ Annotated Anodyne Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CN3CCN(C)CC3)cs2)c1 ZINC000169306746 KJ Annotated Anodyne COC(CNCc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1)OC ZINC000169306758 KJ Annotated Anodyne C#CCNCc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306761 KJ Annotated Mild C=C1[C@H](OCC(C)C)C[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000169307017 KJ Annotated Mild CN(C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307079 KJ Annotated Anodyne CN(C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307080 KJ Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2nc3c(C)nn(-c4ccccc4)c3nc2-c2ccccc2)cc1OC ZINC000169307134 KJ Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)c2nc3c(C)nn(-c4ccccc4)c3nc2-c2ccccc2)cc1OC ZINC000169307137 KJ Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@@H]3c3ccccc3)nc12 ZINC000169307138 KJ Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@H]3c3ccccc3)nc12 ZINC000169307139 KJ Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@@H]3c3ccc([N+](=O)[O-])cc3)nc12 ZINC000169307142 KJ Annotated Bother Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@H]3c3ccc([N+](=O)[O-])cc3)nc12 ZINC000169307143 KJ Annotated Bother COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CBr)C(C)C)c2ccccc32)cc1 ZINC000169307457 KJ Annotated Reactive CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)CC2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2 ZINC000169307682 KJ Annotated Anodyne CC1(C)Oc2ccc3c(=O)ccoc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169307760 KJ Annotated Anodyne CC1(C)Oc2ccc3c(=O)ccoc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169307762 KJ Annotated Anodyne CN1c2c(nn(-c3ccc(-c4nc5cncnc5[nH]4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O ZINC000169307859 KJ Annotated Anodyne Nc1ccc(-c2ccc(N/N=C3\C(=O)c4c(N)cc(S(=O)(=O)O)cc4C=C3S(=O)(=O)O)c(C(F)(F)F)c2)cc1C(F)(F)F ZINC000169307990 KJ Annotated Mild C[C@H](N[P@@](=O)(COCCn1cnc2c(N)ncnc21)Oc1cccc2ccccc12)C(=O)OCc1ccccc1 ZINC000169308403 KJ Annotated Anodyne C[C@H](N[P@](=O)(COCCn1cnc2c(N)ncnc21)Oc1cccc2ccccc12)C(=O)OCc1ccccc1 ZINC000169308404 KJ Annotated Anodyne C[C@H](N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1cccc2ccccc12)C(=O)OCc1ccccc1 ZINC000169308421 KJ Annotated Anodyne C[C@H](N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1cccc2ccccc12)C(=O)OCc1ccccc1 ZINC000169308423 KJ Annotated Anodyne C[C@H](N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C ZINC000169308429 KJ Annotated Anodyne C[C@H](N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C ZINC000169308431 KJ Annotated Anodyne CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@H]3[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](OC)C(=O)[C@]12C)C4(C)C ZINC000169308490 KJ Annotated Anodyne CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@H]3[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](OC(=O)N(C)C)C(=O)[C@]12C)C4(C)C ZINC000169308502 KJ Annotated Anodyne COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C(C)=C1C3(C)C ZINC000169308508 KJ Annotated Anodyne CO[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)N(C)C)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C(C)=C1C3(C)C ZINC000169308510 KJ Annotated Anodyne COC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@H]3[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](OC)C(=O)[C@]12C)C4(C)C ZINC000169308516 KJ Annotated Anodyne COC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@H]3[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H](OC)C(=O)[C@]12C)C4(C)C ZINC000169308518 KJ Annotated Anodyne CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccc(Cl)c(C(F)(F)F)c3)c2-c2ccccc2S1(=O)=O ZINC000169308552 KJ Annotated Anodyne COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)O)NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 ZINC000169308560 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2cc(Cl)cc(Cl)c2)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169309072 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2cc(Cl)cc(Cl)c2)C[C@@H](C)C(=O)/C=C/C(C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169309074 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2cc(Cl)cc(Cl)c2)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169309076 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2cc(Cl)cc(Cl)c2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169309078 KJ Annotated Mild CSCC[C@@H]1C(=O)/C(=C(\CC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)NCC(C)(C)CN(C)C)C(=O)N1C(C)=O ZINC000169309195 KJ Annotated Mild CSCC[C@H]1C(=O)/C(=C(\CC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)NCC(C)(C)CN(C)C)C(=O)N1C(C)=O ZINC000169309197 KJ Annotated Mild CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC(=O)Nc3ccc(C(F)(F)F)cc3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O ZINC000169309201 KJ Annotated Mild CO[C@H]1/C=C\C(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](OC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](N(C)C)[C@H]1O ZINC000169309220 KJ Annotated Mild CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC(=O)/C=C/c3ccnc4ccccc34)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O ZINC000169309253 KJ Annotated Mild C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCC(N(C)C[C@@H](C)O)CC5)nn4)nc32)CC1 ZINC000169309302 KJ Annotated Anodyne C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCC(CS(C)(=O)=O)CC5)nn4)nc32)CC1 ZINC000169309304 KJ Annotated Anodyne C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCC6(CC5)CCS(=O)(=O)C6)nn4)nc32)CC1 ZINC000169309305 KJ Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)Nc2ccc(I)cc2Cl)nn1)C(F)(F)F ZINC000169309360 KJ Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)Nc2ccc(I)cc2Cl)nn1)C(F)(F)F ZINC000169309361 KJ Annotated Anodyne CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C\C(C)(C)[C@]1(O)O2)O4)O3 ZINC000169309631 KJ Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C\C(C)(C)[C@]1(O)O2)O4)O3 ZINC000169309633 KJ Annotated Mild Cc1ccc(N2C(N)=C(C(N)=O)[C@@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000169309756 KJ Annotated Mild Cc1ccc(N2C(N)=C(C(N)=O)[C@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000169309758 KJ Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C(N)=O)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310086 KJ Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C(N)=O)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310087 KJ Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C\C(C)(C)[C@]1(O)O2)O4)O3 ZINC000169310111 KJ Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C\C(C)(C)[C@]1(O)O2)O4)O3 ZINC000169310113 KJ Annotated Mild CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c([C@@H]5[C@@H]6O[C@@H]6[C@]67CC[C@@]8(Nc9ccccc9[C@@]89CCN5[C@@H]69)[C@H](C(=O)OC)C7)cc14)[C@@H]32 ZINC000169310404 KJ Annotated Clean C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)Nc1nc(cs1)CCC/C=C\c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000169310743 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@@H]4c4ccccc4)cc3)n2)CC1 ZINC000169310759 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@H]4c4ccccc4)cc3)n2)CC1 ZINC000169310760 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@@H]4c4ccc(F)cc4)cc3)n2)CC1 ZINC000169310768 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@H]4c4ccc(F)cc4)cc3)n2)CC1 ZINC000169310769 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@@H]4c4ccc([N+](=O)[O-])cc4)cc3)n2)CC1 ZINC000169310770 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@H]4c4ccc([N+](=O)[O-])cc4)cc3)n2)CC1 ZINC000169310771 KJ Annotated Mild COc1ccc([C@@H]2SCC(=O)N2c2ccc(-c3nc(Oc4ccc(C#N)cc4)nc(N4CCN(C)CC4)n3)cc2)cc1 ZINC000169310776 KJ Annotated Mild COc1ccc([C@H]2SCC(=O)N2c2ccc(-c3nc(Oc4ccc(C#N)cc4)nc(N4CCN(C)CC4)n3)cc2)cc1 ZINC000169310778 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cn3)nc(-c3ccc(N4C(=O)CS[C@@H]4c4ccc(Cl)cc4)cc3)n2)CC1 ZINC000169310781 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cn3)nc(-c3ccc(N4C(=O)CS[C@H]4c4ccc(Cl)cc4)cc3)n2)CC1 ZINC000169310782 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cn3)nc(-c3ccc(N4C(=O)CS[C@@H]4c4ccc(Br)cc4)cc3)n2)CC1 ZINC000169310785 KJ Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cn3)nc(-c3ccc(N4C(=O)CS[C@H]4c4ccc(Br)cc4)cc3)n2)CC1 ZINC000169310786 KJ Annotated Mild C[C@H]1CCCCN1CCCN/C(CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)=C1/C(=O)[C@@H]2CCCC(=O)N2C1=O ZINC000169310900 KJ Annotated Mild CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(C4=C(O)C(=O)C(c5ccc(O)cc5)=C(O)C4=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000169311063 KJ Annotated Mild O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCCN2C[C@@H](CC2CCCCC2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000169311273 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@@H]3CC[C@@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000169311809 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@@H]3CC[C@@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000169311812 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@@H]3CC[C@@H](C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000169311815 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@H]3CC[C@@H](C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000169311819 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@@H]3CC[C@@H](C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000169311821 KJ Annotated Anodyne COc1cc(O)c(/C=C/C(=O)O[C@@H](Cc2c(OC)cc3oc(=O)ccc3c2OC)C(C)(C)O)c(OC)c1CC=C(C)C ZINC000169311936 KJ Annotated Anodyne O=C(N[C@@H](CS)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000169312872 KJ Annotated Mild O=C(N[C@H](CS)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000169312873 KJ Annotated Mild COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](CS)C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)ccc1O ZINC000169312885 KJ Annotated Mild COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](CS)C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)ccc1O ZINC000169312886 KJ Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3c(Cl)cccc23)cc1 ZINC000169313179 KJ Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3c(Cl)cccc23)cc1 ZINC000169313180 KJ Annotated Mild CCCC(=O)OC1=C(C(C)=O)[C@@H](c2ccc(C(=O)OC)cc2)N(CCc2c(C)[nH]c3ccccc23)C1=O ZINC000169313181 KJ Annotated Mild CCCC(=O)OC1=C(C(C)=O)[C@H](c2ccc(C(=O)OC)cc2)N(CCc2c(C)[nH]c3ccccc23)C1=O ZINC000169313182 KJ Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(c(Br)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000169313193 KJ Annotated Anodyne COc1c(Br)c2c(c(OC)c1OC)-c1c(c(OC)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000169313201 KJ Annotated Anodyne O=C1OC[C@H](c2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/C[C@H]1Cc1ccc(F)cc1 ZINC000169313630 KJ Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000169313715 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000169313720 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169313797 KJ Annotated Anodyne N#Cc1ccc(COC[C@H](OCc2ccc(C#N)cc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 ZINC000169314108 KJ Annotated Mild N#Cc1ccc(COC[C@H](OCc2ccc(C#N)cc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 ZINC000169314109 KJ Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl ZINC000169314273 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C\CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169314822 KJ Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C\CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169314824 KJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)N4CCCC4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169315008 KJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](OC=O)[C@H]3OC=O)[C@@H]2C)CC=C1C ZINC000169315011 KJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C[C@H](OC=O)[C@H]3OC=O)[C@@H]2C)CC=C1C ZINC000169315018 KJ Annotated Anodyne COc1ccc(COC[C@@H](C)[C@@H](O)C[C@H]2CCC[C@H](OC)C/C=C\C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000169315155 KJ Annotated Anodyne COc1ccc(COC[C@@H](C)[C@@H](O)C[C@H]2CCC[C@H](OC)C/C=C/C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000169315157 KJ Annotated Anodyne COc1ccc(COC[C@@H](C)[C@@H](O)C[C@H]2CCC[C@H](OC)C/C=C\C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000169315159 KJ Annotated Anodyne COc1ccc(COC[C@@H](C)[C@@H](O)C[C@H]2CCC[C@H](OC)C/C=C/C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000169315160 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000169315672 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000169315675 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000169315677 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000169315680 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C3(CC3)CNC2=O)cc1Cl ZINC000169315969 KJ Annotated Reactive COc1ccc(COC[C@@H](C)[C@@H]2C[C@H](O)CCC[C@H](OC)C/C=C\C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000169316225 KJ Annotated Anodyne COc1ccc(COC[C@@H](C)[C@@H]2C[C@H](O)CCC[C@H](OC)C/C=C/C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000169316227 KJ Annotated Anodyne COc1ccc(COC[C@@H](C)[C@@H]2C[C@H](O)CCC[C@H](OC)C/C=C/C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000169316229 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCN3CC3)[C@@H](C)/C=C\C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169316413 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](OCOCCN3CC3)[C@@H](C)/C=C\C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169316415 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCN3CC3)[C@@H](C)/C=C/C=C3/CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169316417 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](OCOCCN3CC3)[C@@H](C)/C=C/C=C3/CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169316418 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](CO)C[C@@H](C)CC[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169317033 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000169317286 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000169317290 KJ Annotated Anodyne C=CC[C@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC ZINC000169317504 KJ Annotated Mild C=CC[C@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC ZINC000169317507 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)CC(F)(F)F)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000169317826 KJ Annotated Anodyne CCO[C@]12C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(C)=O)CC(=O)N(C)c1cc(cc(OC)c1Cl)C/C(C)=C/C=C/[C@H]2OC ZINC000169317845 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](OC)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000169317850 KJ Annotated Anodyne O=c1[nH][nH]c(=S)n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000169319625 KJ Annotated Anodyne N=c1sc(S)nn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000169319647 KJ Annotated Anodyne S=c1[nH]nnn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000169319948 KJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C/C(=N/O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169321617 KJ Annotated Mild O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccc(Br)cc4)cc3c(=O)c2c1 ZINC000169321934 KJ Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSc4ccc(Br)cc4)cc3c(=O)c2c1 ZINC000169321935 KJ Annotated Bother C[C@@H]1C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H]([C@@H]2CN(C)CCN(C)C2=O)[C@H](OC(=O)/C=C/c2ccccc2)[C@]2(C)C(=O)C=C[C@@H]12 ZINC000169322676 KJ Annotated Mild C[C@@H]1C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H]([C@H]2CN(C)CCN(C)C2=O)[C@H](OC(=O)/C=C/c2ccccc2)[C@]2(C)C(=O)C=C[C@@H]12 ZINC000169322679 KJ Annotated Mild CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccc3c(c2)OCO3)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C ZINC000169322883 KJ Annotated Reactive CCC[C@H](C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)[C@@](O)(C(C)=O)[C@@H](O)C1=O ZINC000169323199 KJ Annotated Mild CCC[C@H](C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)[C@](O)(C(C)=O)[C@@H](O)C1=O ZINC000169323202 KJ Annotated Mild CCCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169323558 KJ Annotated Anodyne CCCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169323560 KJ Annotated Anodyne CCCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169323561 KJ Annotated Anodyne CCCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169323563 KJ Annotated Anodyne COc1cc(-n2nnnc2-c2ccc(OC[C@@H]3CC(c4ccc(C(F)(F)F)cc4)=NO3)c(N)c2)cc(OC)c1OC ZINC000169323617 KJ Annotated Anodyne COc1cc(-n2nnnc2-c2ccc(OC[C@H]3CC(c4ccc(C(F)(F)F)cc4)=NO3)c(N)c2)cc(OC)c1OC ZINC000169323620 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169323786 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169323789 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169323793 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169323796 KJ Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3=O ZINC000169324003 KJ Annotated Anodyne CCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169324246 KJ Annotated Anodyne CCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169324249 KJ Annotated Anodyne CCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169324253 KJ Annotated Anodyne CCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169324257 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCC#N)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324630 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCC#N)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324633 KJ Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCC#N)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324636 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCC#N)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324638 KJ Annotated Mild CC[C@H](C)[C@H](NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)c1nc(C(=O)N[C@H](c2nc(C(=O)OC)co2)[C@@H](C)CC)co1 ZINC000169324665 KJ Annotated Anodyne CC(C)(C)c1ccc(-n2[nH]c(C(=O)O)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1 ZINC000169324899 KJ Annotated Clean CCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169325379 KJ Annotated Anodyne CCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169325381 KJ Annotated Anodyne CCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169325383 KJ Annotated Anodyne CCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169325385 KJ Annotated Anodyne CN(C)C1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(-c4cccc(Cl)c4)cn32)C2CCCCC2)CC1 ZINC000169325508 KJ Annotated Anodyne C/C(CC(=O)c1ccccc1)=N/n1cnc2c(c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c1=N ZINC000169325601 KJ Annotated Mild CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NC5CCCCC5)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169325754 KJ Annotated Anodyne CCOC(=O)c1cn(Cc2ccccc2F)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326079 KJ Annotated Anodyne CCOC(=O)c1cn(Cc2ccccc2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326084 KJ Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]([C@@]2(C)CO2)[C@@H]2[C@@H]([C@@H](C)OC(C)=O)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000169326269 KJ Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]([C@@]2(C)CO2)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000169326271 KJ Annotated Mild C=C1[C@H](OCC(C)C)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000169326275 KJ Annotated Mild CCCCCCNC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000169326407 KJ Annotated Anodyne CC[C@@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169326870 KJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327855 KJ Annotated Anodyne CCOC(=O)c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4nc5ccccc5o4)CC3)ccc2c1=O ZINC000169327922 KJ Annotated Anodyne O=C(O)c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169327925 KJ Annotated Anodyne CNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@H]2CC(n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 ZINC000169328272 KJ Annotated Anodyne CCc1c([C@@H](F)c2cc(C)cc(C)c2)n(COCc2ccc(I)cc2)c(=O)[nH]c1=O ZINC000169328320 KJ Annotated Anodyne CCc1c([C@H](F)c2cc(C)cc(C)c2)n(COCc2ccc(I)cc2)c(=O)[nH]c1=O ZINC000169328321 KJ Annotated Anodyne CCc1c([C@@H](F)c2cc(C)cc(C)c2)[nH]c(=O)n(COCc2ccc(I)cc2)c1=O ZINC000169328323 KJ Annotated Anodyne CCc1c([C@H](F)c2cc(C)cc(C)c2)[nH]c(=O)n(COCc2ccc(I)cc2)c1=O ZINC000169328325 KJ Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@H]1CC[C@@]2(C)OC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000169328348 KJ Annotated Reactive C[C@]1(OC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000169328350 KJ Annotated Reactive C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@]2(C)OC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000169328352 KJ Annotated Reactive CN(CCOc1ccc(NC(=O)C2=CC=C[C@@H]3C(=O)c4ccccc4N[C@@H]23)cc1)Cc1ccc2c(c1)OCO2 ZINC000169328745 KJ Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@H]3C(=O)c4ccccc4N[C@@H]23)cc1)Cc1ccc2c(c1)OCO2 ZINC000169328749 KJ Annotated Anodyne COC(=O)[C@@H](C)N[P@@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)n(CCCCCCBr)c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1 ZINC000169329336 KJ Annotated Reactive COC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)n(CCCCCCBr)c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1 ZINC000169329339 KJ Annotated Reactive CC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1F)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329352 KJ Annotated Anodyne CC[C@@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1F)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329353 KJ Annotated Anodyne CCOc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169329482 KJ Annotated Reactive CCOc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169329485 KJ Annotated Reactive CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(O)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169329639 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(O)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169329642 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(O)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169329643 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(O)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169329646 KJ Annotated Anodyne O=C(O)CCSCCCOC[C@H]1O[C@@H](OCCCSCCC(=O)O)[C@H](OCCCSCCC(=O)O)[C@@H](OCCCSCCC(=O)O)[C@@H]1OCCCSCCC(=O)O ZINC000169329823 KJ Annotated Anodyne Cc1ccc(OS(=O)(=O)c2ccc(/N=N/c3c(C)[nH]n(-c4ccc(Cl)cc4S(=O)(=O)O)c3=O)cc2)cc1 ZINC000169330016 KJ Annotated Clean Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1coc2ccccc2c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000169330053 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169330193 KJ Annotated Anodyne Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330412 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169330538 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169330540 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169330542 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169330544 KJ Annotated Clean Cc1[nH]n(-c2cc(Cl)c(S(=O)(=O)O)cc2Cl)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330691 KJ Annotated Clean C[C@H]1CC/C=C\C=C/CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O[C@@H](C)CC/C=C\C=C/CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O1 ZINC000169330740 KJ Annotated Anodyne C[C@H]1CC/C=C\C=C/CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O[C@@H](C)CC/C=C/C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O1 ZINC000169330744 KJ Annotated Anodyne C[C@H]1CC/C=C\C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O[C@@H](C)CC/C=C\C=C/CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O1 ZINC000169330746 KJ Annotated Anodyne C[C@H]1CC/C=C\C=C/CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O[C@@H](C)CC/C=C/C=C/CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O1 ZINC000169330748 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169330894 KJ Annotated Anodyne CCNC(=O)C1(Nc2nc(NCCc3ccccc3)nc(N3C[C@@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169330989 KJ Annotated Anodyne CCNC(=O)C1(Nc2nc(NCCc3ccccc3)nc(N3C[C@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169330991 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000169331087 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NCc5ccccc5)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169331128 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331277 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331279 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331281 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331282 KJ Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169331307 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169331310 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169331312 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169331313 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169331314 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169331315 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169331318 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169331321 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169331323 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169331325 KJ Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(C)cc1 ZINC000169331327 KJ Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(C)cc1 ZINC000169331328 KJ Annotated Clean CCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCC ZINC000169331539 KJ Annotated Mild C[C@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C(c2ccccc2)[C@@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@@H]31 ZINC000169331554 KJ Annotated Mild C[C@]12C[C@@]34C[C@@H]1C[C@@H](O2)[C@@H]3[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C=C4c1ccccc1 ZINC000169331555 KJ Annotated Mild C[C@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C(c2ccccc2)[C@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000169331556 KJ Annotated Mild C[C@]12C[C@]34C[C@@H]1C[C@@H](O2)[C@@H]3[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C=C4c1ccccc1 ZINC000169331557 KJ Annotated Mild CC(C)(C)c1ccc(C(=O)OC[C@H]2O[C@@H]3[C@H](Oc4nc(=N)ccn43)[C@@H]2OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000169331656 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331725 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331726 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331728 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331729 KJ Annotated Anodyne CCCCCCC(=O)OC[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(OC)cc3)[C@H]2OC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169332235 KJ Annotated Anodyne CC(C)(C)[C@@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000169332673 KJ Annotated Anodyne C=C(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000169332879 KJ Annotated Mild C=C(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000169332882 KJ Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000169332884 KJ Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000169332886 KJ Annotated Mild COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)C/C=C\[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333126 KJ Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)C/C=C/[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333128 KJ Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)C/C=C\[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333129 KJ Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333131 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H](Cc2ccccc2)NC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169333142 KJ Annotated Anodyne CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333273 KJ Annotated Anodyne CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(CCCNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333280 KJ Annotated Anodyne CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)CCCCc3coc(CCCNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333285 KJ Annotated Anodyne O=C1O[C@@H](c2ccccc2)CNC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/C[C@H]1Cc1ccc(F)cc1 ZINC000169333567 KJ Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)OCC/C=C\[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333943 KJ Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C\C(=O)OCC/C=C\[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333946 KJ Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C\C=C\C(=O)OCC/C=C\[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333948 KJ Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C\[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333951 KJ Annotated Anodyne CCN(CC)c1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 ZINC000169334440 KJ Annotated Clean O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169335030 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCN3C2=O)cc1Cl ZINC000169335785 KJ Annotated Anodyne O=C1NC[C@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)C/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169335984 KJ Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CN4C(=O)/C(=N\c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)c5cc(C)ccc54)[C@@H](C)C3)c(F)c21 ZINC000169336732 KJ Annotated Mild C=C/C=C\[C@@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000169336930 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000169336934 KJ Annotated Anodyne C=C/C=C\[C@@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000169336936 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000169336939 KJ Annotated Anodyne CCCc1cnc(N2CCC([C@@H]3Cc4c(F)c(C5=CCN(S(=O)(=O)CCC)CC5)cc(F)c4O3)CC2)nc1 ZINC000169337186 KJ Annotated Anodyne CCCc1cnc(N2CCC([C@H]3Cc4c(F)c(C5=CCN(S(=O)(=O)CCC)CC5)cc(F)c4O3)CC2)nc1 ZINC000169337187 KJ Annotated Anodyne CCCc1cnc(N2CCC([C@@]3(C)Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1 ZINC000169337189 KJ Annotated Anodyne CCCc1cnc(N2CCC([C@]3(C)Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1 ZINC000169337190 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C[C@@]3(OC(C)=O)[C@](C)([C@H]4CC[C@]5(C)C(=C4[C@H](OC(C)=O)[C@@]13OC(C)=O)[C@@H](OC(C)=O)C(=O)O[C@H]5c1ccoc1)[C@H]2CC(=O)OC ZINC000169337455 KJ Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000169337499 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000169337502 KJ Annotated Clean COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169338171 KJ Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2cc(S(C)(=O)=O)ccc12 ZINC000169338172 KJ Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2cc(S(C)(=O)=O)ccc12 ZINC000169338174 KJ Annotated Bother C=C(C)[C@@]12C[C@@H](C)[C@]34O[C@](c5ccccc5)(O[C@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2 ZINC000169338287 KJ Annotated Mild COc1ccc([C@@H]2[C@H](COC(=O)c3ccccc3)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338404 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](COC(=O)c3ccccc3)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338410 KJ Annotated Anodyne COC(=O)[C@H](Cc1cn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000169338597 KJ Annotated Bother O=C1C(O)=C(Nc2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)cc2)C(=O)C(O)=C1Nc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)cc1 ZINC000169338625 KJ Annotated Mild CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C\C=C(/C)[C@]2(O)[C@H](O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169338857 KJ Annotated Anodyne CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C(/C)[C@]2(O)[C@H](O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169338859 KJ Annotated Anodyne CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C(\C)[C@]2(O)[C@H](O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169338862 KJ Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CN4C(=O)/C(=N\c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)c5cc(F)ccc54)[C@@H](C)C3)c(F)c21 ZINC000169338930 KJ Annotated Mild CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]3C3CC3)N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000169339997 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000169340500 KJ Annotated Anodyne COc1ccccc1NC1=C/C(=N/N=C(\N)SCc2ccccc2)C(=O)N=C1Nc1ccccc1OC ZINC000169341110 KJ Annotated Mild Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)C[C@@H]1C ZINC000169341204 KJ Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169341259 KJ Annotated Anodyne NC(=O)N1CCC[C@H]2[C@@H]1CCC[C@H]2C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000169341266 KJ Annotated Anodyne NC(=O)N1CCC[C@@H]2[C@@H]1CCC[C@H]2C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000169341268 KJ Annotated Anodyne CN1CCC(=O)[C@@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000169341675 KJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000169341680 KJ Annotated Anodyne CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN(C)C)c(Nc4ccncc4)n3)c3c2CCC3)c(F)c1 ZINC000169341683 KJ Annotated Anodyne N#Cc1c(SCC(=O)c2cccc(OS(=O)(=O)O)c2OS(=O)(=O)O)nc([N+](=O)[O-])c(C#N)c1-c1ccc(Oc2ccccc2)cc1 ZINC000169341860 KJ Annotated Mild Cc1ccccc1N1CCN(c2ccc(CNCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1 ZINC000169341924 KJ Annotated Clean CC(C)(C)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000169342014 KJ Annotated Anodyne CC(=O)O[C@@H](C(=O)O[C@H]1C[C@H](CCC[C@@H]2O[C@@H](C(=O)OC(C)C)CC[C@@H]2C)O[C@H](CC#N)C1)c1ccccc1 ZINC000169342154 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@H]1C[C@H](CCC[C@@H]2O[C@@H](C(=O)OC(C)C)CC[C@@H]2C)O[C@H](CC#N)C1)c1ccccc1 ZINC000169342157 KJ Annotated Mild CC(=O)O[C@@H](C(=O)O[C@@H]1C[C@H](CCC[C@@H]2O[C@@H](C(=O)OC(C)C)CC[C@@H]2C)O[C@H](CC#N)C1)c1ccccc1 ZINC000169342158 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@@H]1C[C@H](CCC[C@@H]2O[C@@H](C(=O)OC(C)C)CC[C@@H]2C)O[C@H](CC#N)C1)c1ccccc1 ZINC000169342160 KJ Annotated Mild O=c1nccc2n([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)ccn12 ZINC000169342166 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](Cc2ccccc2)NC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169342327 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4nccs4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169342823 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169343146 KJ Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169343148 KJ Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169343150 KJ Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169343152 KJ Annotated Clean O=C1O[C@H](c2ccccc2)CNC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/C[C@H]1Cc1ccc(F)cc1 ZINC000169343347 KJ Annotated Anodyne O=C(C[C@H]1C/C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169343702 KJ Annotated Anodyne COc1ccc([C@@H](C)NC(=O)c2csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc1 ZINC000169343800 KJ Annotated Anodyne COc1cc(NC(=O)c2csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc(OC)c1 ZINC000169343801 KJ Annotated Anodyne COc1cc(NC(=O)c2csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc(OC)c1OC ZINC000169343802 KJ Annotated Anodyne CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc1n2 ZINC000169343822 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1ccc(-n3ccnc3)cc1)C2 ZINC000169343969 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@@H](c3ccc(-n4ccnc4)cc3)C[C@@H]1Cc1[nH]ncc12 ZINC000169343972 KJ Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](COC(C)=O)OC(C)=O)[C@@H]3OC ZINC000169344131 KJ Annotated Mild C#CCN(CC#C)C[C@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C)OC ZINC000169344312 KJ Annotated Mild C#CCN(CC#C)CC[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C ZINC000169344337 KJ Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)O3 ZINC000169344372 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)O3 ZINC000169344374 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)O3 ZINC000169344376 KJ Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](CCNCC(F)F)[C@@H]3OC ZINC000169344380 KJ Annotated Mild COC(=O)[C@@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccc3ccccc3c1)N(C)[C@@H]2c1ccc2ccccc2c1 ZINC000169344803 KJ Annotated Anodyne O=C(O)COc1ccc(/C=C(/C(=O)Oc2ccccc2)S(=O)(=O)Oc2ccccc2)c(Cl)c1Cl ZINC000169344901 KJ Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](CCCO)[C@@H]3OC ZINC000169344905 KJ Annotated Mild C#CC[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C ZINC000169345061 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](CCOC)[C@@H]3OC ZINC000169345076 KJ Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\OC(=O)CCC(=O)OCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)[C@@](C)(CC[C@@H]21)C3 ZINC000169345289 KJ Annotated Mild C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(=O)c3cccnc3)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(=O)C(C)C ZINC000169345477 KJ Annotated Mild CO[C@@]1(C[C@@H]2C(=O)N[C@@H](c3ccc(O)cc3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)Nc2ccccc21 ZINC000169345673 KJ Annotated Anodyne CO[C@]1(C[C@@H]2C(=O)N[C@@H](c3ccc(O)cc3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)Nc2ccccc21 ZINC000169345674 KJ Annotated Anodyne C=CCO[C@H](CO)C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C ZINC000169345986 KJ Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\OC(=O)CCC(=O)OCCOCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)[C@@](C)(CC[C@@H]21)C3 ZINC000169346017 KJ Annotated Mild C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](C)C1 ZINC000169346311 KJ Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H]1COCCO1)[C@@H]3OC ZINC000169346359 KJ Annotated Mild COc1nn2c(=O)n(Cc3ccc(C(F)(F)F)nc3)nc2c(-c2ccncc2)c1-c1ccc(Cl)cc1 ZINC000169346538 KJ Annotated Anodyne N#Cc1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)c(=O)n(Cc4ccc(C#N)cc4)n3c2=O)cc1 ZINC000169346540 KJ Annotated Mild CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3)n2c1=O ZINC000169346544 KJ Annotated Anodyne CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346545 KJ Annotated Anodyne CCn1nc2c(-c3ccc(C)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346552 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000169346555 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000169346557 KJ Annotated Anodyne CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3F)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346558 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000169346560 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000169346563 KJ Annotated Anodyne C=C1CC[C@@H]2[C@](C)(COC(=O)c3cc(=O)c4ccccc4o3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346705 KJ Annotated Mild CC(C)Oc1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)cc1NC(=O)c1cnccn1 ZINC000169346749 KJ Annotated Clean C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000169346930 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(NCc2ccccc2)=C(NC(=O)[C@@](C)(NCc2ccccc2)CC(=O)[C@@H]2C[C@@H]2[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169347188 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(NCc2ccccc2)=C(NC(=O)[C@](C)(NCc2ccccc2)CC(=O)[C@@H]2C[C@@H]2[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169347192 KJ Annotated Mild C#CCN(C)C[C@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C)OC ZINC000169347228 KJ Annotated Mild COC(=O)[C@@H](C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1)OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169347520 KJ Annotated Anodyne C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000169347584 KJ Annotated Mild COC(=O)c1ccc[n+](-c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N3)O5)c1 ZINC000169348483 KJ Annotated Anodyne COC(=O)c1ccc[n+](-c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(/C)C(=O)N3)O5)c1 ZINC000169348485 KJ Annotated Anodyne COC(=O)c1ccc[n+](-c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)c1 ZINC000169348486 KJ Annotated Anodyne COC(=O)c1ccc[n+](-c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(\C)C(=O)N3)O5)c1 ZINC000169348488 KJ Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C1CC1)C1(C(=O)NC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC000169348496 KJ Annotated Anodyne O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)C[S@@](=O)c1cc(Cl)c(Cl)cc1-2 ZINC000169348592 KJ Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)C[S@](=O)c1cc(Cl)c(Cl)cc1-2 ZINC000169348593 KJ Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)C[S@@](=O)c1cc(Cl)c(Cl)cc1-2 ZINC000169348594 KJ Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)C[S@](=O)c1cc(Cl)c(Cl)cc1-2 ZINC000169348597 KJ Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)C[S@@](=O)c1c-2ccc(Cl)c1Cl ZINC000169348599 KJ Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)C[S@](=O)c1c-2ccc(Cl)c1Cl ZINC000169348600 KJ Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)C[S@@](=O)c1c-2ccc(Cl)c1Cl ZINC000169348602 KJ Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)C[S@](=O)c1c-2ccc(Cl)c1Cl ZINC000169348603 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)CN(CC)CC)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169348632 KJ Annotated Mild O=C(C[C@H]1C/C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@@H](CO)Cc1ccccc1 ZINC000169348686 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H](CC[C@@H](OC(=O)C(F)(F)F)[C@]2(C)O)[C@](C)(CCC2=CC(=O)OC2)[C@@H]1C ZINC000169348826 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)CN3CCCCC3)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169348857 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)CN3CCCC3)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169348859 KJ Annotated Mild COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H](O)COCc2ccco2)cc1 ZINC000169348894 KJ Annotated Mild COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/OC[C@@H](O)COCc2ccco2)cc1 ZINC000169348896 KJ Annotated Mild COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/OC[C@@H](O)COCc2ccco2)cc1 ZINC000169348899 KJ Annotated Mild Cc1c(O)ccc2c(OS(=O)(=O)c3cccs3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349083 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(OS(=O)(=O)c4ccc(C)cc4)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000169349086 KJ Annotated Anodyne CCOC(=O)CNC(=O)c1oc2cc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2c1C ZINC000169349721 KJ Annotated Anodyne Cc1c(/C=C/C(=O)NCC(=O)O)oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c12 ZINC000169349732 KJ Annotated Anodyne C=CCCCC[C@H](NC(=O)c1cccc(O)c1OCCC=C)[C@@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000169349991 KJ Annotated Mild Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1C ZINC000169350488 KJ Annotated Reactive Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@@H]4C3=O)cc2)cc1C ZINC000169350490 KJ Annotated Reactive O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCC[C@H]3C(=O)Nc3ccc(/C=C/c4ccc(NC(=O)[C@@H]5CCCN5C(=O)Cc5ccccc5)cc4)cc3)OC[C@@H]2N1 ZINC000169351872 KJ Annotated Anodyne CCCCCCCCn1nc(-n2cc(Cn3c(N)nc(C(F)(F)F)cc3=O)nn2)c2ccc(C(F)(F)F)nc21 ZINC000169351935 KJ Annotated Mild Nc1ccc(-c2ccc(Nc3c(C(=O)NCc4ccc(F)cc4F)c(=O)n(O)c4ncccc34)cc2)cc1 ZINC000169351999 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(C(=O)OC)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352078 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(CO)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352082 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(CO)nc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352083 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(/C=N/O)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352091 KJ Annotated Mild O=C(NC[C@@H](O)c1cc(Br)c(O)c(Br)c1)c1[nH]c(Br)c(Br)c1Br ZINC000169352326 KJ Annotated Anodyne O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)O[C@@H](Cn1ccnc1)c1ccc(F)cc1 ZINC000169352606 KJ Annotated Anodyne O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)O[C@H](Cn1ccnc1)c1ccc(F)cc1 ZINC000169352607 KJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1cccc2ccccc12)C(=O)O ZINC000169352687 KJ Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cc(OC)c(OC)c(OC)c1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169352805 KJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1cncc2ccccc12)C(=O)OC(C)C ZINC000169352971 KJ Annotated Anodyne CC(C)CN(NC(=O)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)c1nc(C#N)ncc1Br ZINC000169352978 KJ Annotated Reactive CC(C)CN(NC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)c1nc(C#N)ncc1Br ZINC000169352979 KJ Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc([N+](=O)[O-])cn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353232 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ncccc2[N+](=O)[O-])[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353234 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc(CO)ccn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353235 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ncccc2CO)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353236 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc(/C=N/O)ccn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353243 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccncc2CO)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353247 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccnc(CO)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353248 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)[C@@H]3CCCN3)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353258 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)CN(C)C)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353259 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)CN3CCC[C@@H](CO)C3)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353265 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)CN3CCC[C@H](CO)C3)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353266 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(COP(=O)(O)O)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353271 KJ Annotated Mild C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169353408 KJ Annotated Anodyne C/C(=N\n1c(/N=C/c2ccccc2O)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353771 KJ Annotated Mild C/C(=N\n1c(/N=C/c2cccc(O)c2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353772 KJ Annotated Mild C/C(=N\n1c(/N=C/c2ccc(O)cc2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353773 KJ Annotated Mild C/C(=N\n1c(/N=C/c2cccc([N+](=O)[O-])c2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353787 KJ Annotated Mild C/C(=N\n1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353788 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCc2cnc3ccccc3c2)/C=C\C(C)=C/[C@@H]1CO ZINC000169353858 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCc2cnc3ccccc3c2)/C=C/C(C)=C\[C@@H]1CO ZINC000169353860 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCc2cnc3ccccc3c2)/C=C\C(C)=C\[C@@H]1CO ZINC000169353863 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCOc2ccc3ncccc3c2)/C=C\C(C)=C/[C@@H]1CO ZINC000169353877 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCOc2ccc3ncccc3c2)/C=C/C(C)=C\[C@@H]1CO ZINC000169353878 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCOc2ccc3ncccc3c2)/C=C\C(C)=C\[C@@H]1CO ZINC000169353879 KJ Annotated Mild CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@@H]2C[C@@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@H]32)cc(F)c1F ZINC000169354191 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@H]2C[C@@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@H]32)cc(F)c1F ZINC000169354192 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@@H]2C[C@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc(F)c1F ZINC000169354193 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@H]2C[C@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc(F)c1F ZINC000169354194 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@@H](N(C)C)[C@@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C\[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000169354230 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@@H](N(C)C)[C@@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000169354231 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@@H](N(C)C)[C@@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C\[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000169354232 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@@H](N(C)C)[C@@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000169354233 KJ Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)CN3CCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000169354424 KJ Annotated Mild COc1cccc([C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)CN3CCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000169354427 KJ Annotated Mild COc1cccc([C@H]2Oc3ccc(OC)cc3/C(=N/O[C@@H](C)CN3CCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000169354428 KJ Annotated Mild O=C(C[C@@H]1C/C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000169354504 KJ Annotated Anodyne C=C[C@@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@@H]2C[C@@H]3c4ccc(OC)cc4N[C@@H]3[C@@H]3C[C@@H]1[C@@H]2CO3 ZINC000169354524 KJ Annotated Mild C=C[C@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@@H]2C[C@@H]3c4ccc(OC)cc4N[C@@H]3[C@@H]3C[C@@H]1[C@@H]2CO3 ZINC000169354525 KJ Annotated Mild C=C[C@@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@@H]3c4ccc(OC)cc4N[C@@H]3[C@@H]3C[C@@H]1[C@@H]2CO3 ZINC000169354527 KJ Annotated Mild C=C[C@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@@H]3c4ccc(OC)cc4N[C@@H]3[C@@H]3C[C@@H]1[C@@H]2CO3 ZINC000169354528 KJ Annotated Mild O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169354570 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2N(CC=C(C)C)c3ccccc3[C@@]23CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C3=N1 ZINC000169354578 KJ Annotated Anodyne O=C(C[C@H]1C/C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169354752 KJ Annotated Anodyne O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169354808 KJ Annotated Anodyne O=C1OC[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/C[C@H]1Cc1ccc(F)cc1 ZINC000169354839 KJ Annotated Anodyne O=C1NC[C@@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169354842 KJ Annotated Anodyne Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCOC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]13)C2(C)C ZINC000169354846 KJ Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCOC(=O)CCCC[C@H]1SC[C@@H]3NC(=O)N[C@@H]31)C2(C)C ZINC000169354847 KJ Annotated Clean O=C(C[C@H]1C/C=C/CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169354848 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCOc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169355008 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000169355151 KJ Annotated Anodyne O=C(C[C@H]1C/C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000169355158 KJ Annotated Anodyne CC(=O)OC[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)/C(C)=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@H]1O)C2(C)C ZINC000169355218 KJ Annotated Mild COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169355219 KJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169355220 KJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169355221 KJ Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169355279 KJ Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169355280 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169355304 KJ Annotated Anodyne COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169355313 KJ Annotated Anodyne COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169355314 KJ Annotated Anodyne COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169355315 KJ Annotated Anodyne COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169355316 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@@H]1C ZINC000169355342 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@@H]1C ZINC000169355343 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H]1CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@H](O)[C@H](C)/C=C\C=C/C(=O)O1 ZINC000169355344 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H]1CC/C=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@H](O)[C@H](C)/C=C\C=C/C(=O)O1 ZINC000169355345 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H]1CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@H](O)C[C@H](O)[C@H](C)/C=C\C=C/C(=O)O1 ZINC000169355346 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H]1CC/C=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@H](O)C[C@H](O)[C@H](C)/C=C\C=C/C(=O)O1 ZINC000169355347 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C ZINC000169355352 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C ZINC000169355353 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C ZINC000169355354 KJ Annotated Anodyne O=C1OC[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/C[C@H]1Cc1ccc(F)cc1 ZINC000169355435 KJ Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169355457 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000169355503 KJ Annotated Anodyne O=C1NC[C@@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)C/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169355523 KJ Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169355616 KJ Annotated Anodyne CC(C)(C)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000169355642 KJ Annotated Anodyne O=C(N[C@H]1C/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@@H]2COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169355649 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C ZINC000169355674 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C ZINC000169355675 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C ZINC000169355676 KJ Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000169355696 KJ Annotated Bother CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000169355697 KJ Annotated Bother CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000169355698 KJ Annotated Bother O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169355723 KJ Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169355740 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169355742 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169355744 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169355745 KJ Annotated Mild O=C(N[C@H]1C/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169355865 KJ Annotated Anodyne CCOC(=O)[C@@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32)[C@@H](C)CC ZINC000169355880 KJ Annotated Anodyne CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32 ZINC000169355882 KJ Annotated Anodyne COc1ccc(C(=O)O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O)CO[C@@H](O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)[C@@H]3O)[C@@H]2OC(C)=O)cc1 ZINC000169356092 KJ Annotated Anodyne COc1ccc(C(=O)O[C@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O)CO[C@@H](O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)[C@@H]3O)[C@@H]2OC(C)=O)cc1 ZINC000169356093 KJ Annotated Anodyne COc1ccc(C(=O)O[C@H]2[C@@H](O[C@@H]3[C@@H](O)CO[C@@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6C[C@@H]([C@H](C)CCCC(C)C)[C@]5(C)[C@@H]4O)[C@@H]3OC(C)=O)OC[C@H](O)[C@H]2O)cc1 ZINC000169356094 KJ Annotated Anodyne COc1ccc(C(=O)O[C@@H]2[C@@H](O[C@@H]3[C@@H](O)CO[C@@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6C[C@@H]([C@H](C)CCCC(C)C)[C@]5(C)[C@@H]4O)[C@@H]3OC(C)=O)OC[C@H](O)[C@H]2O)cc1 ZINC000169356095 KJ Annotated Anodyne CCC/C=C\c1ccc(CN2[C@@H](C(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000169356165 KJ Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](CCCN1CCOCC1)[C@@H]3OC ZINC000169356274 KJ Annotated Mild CC(C)(C)[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1 ZINC000169356276 KJ Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)COCC)[C@@H]3OC ZINC000169356334 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](COC)OC)[C@@H]3OC ZINC000169356408 KJ Annotated Mild CCC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)OC(=O)[C@H](C)[C@H](O)[C@H]([C@@H](C)CC)NC(=O)[C@@]2(C)CSC(=N2)[C@@]2(C)CSC(=N2)c2csc(n2)C[C@H](OC)[C@@H]1C ZINC000169356428 KJ Annotated Anodyne COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000169356522 KJ Annotated Anodyne COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000169356523 KJ Annotated Anodyne COc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000169356524 KJ Annotated Anodyne CN1CCN(CCC(=O)O[C@@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356600 KJ Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356601 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](OCF)[C@@H]1C(=O)[C@H](CCN3CCOCC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C ZINC000169356735 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](OCF)[C@H]1C(=O)[C@H](CCN3CCOCC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C ZINC000169356736 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](OCF)[C@@H]1C(=O)[C@H](CCN3CCOCC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C ZINC000169356737 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](OCF)[C@H]1C(=O)[C@H](CCN3CCOCC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C ZINC000169356738 KJ Annotated Anodyne C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@]5(CCCCCCC[C@H](C)[C@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000169356741 KJ Annotated Mild C=C1[C@H](O)[C@@H](OC(C)=O)/C=C(/C)CC[C@@H]2C([C@H](OC(C)=O)[C@@H](C=C(C)C)OC(=O)c3ccccc3)=CO[C@H](OC(C)=O)[C@H]12 ZINC000169356917 KJ Annotated Mild C1CN[C@@H]2[C@@H](C1)[C@@H]1C[C@@]2([C@H]2CCC[C@H]([C@@H]3CC[C@@H]4N[C@H]3N3CCC[C@H]5C[C@@H]6C[C@]4(CN4CCCC[C@H]64)[C@@H]53)N2)CN2CCCC[C@H]12 ZINC000169357116 KJ Annotated Anodyne C1CN[C@@H]2[C@@H](C1)[C@@H]1C[C@]2([C@H]2CCC[C@H]([C@@H]3CC[C@@H]4N[C@H]3N3CCC[C@H]5C[C@@H]6C[C@]4(CN4CCCC[C@H]64)[C@@H]53)N2)CN2CCCC[C@H]12 ZINC000169357117 KJ Annotated Anodyne C1CN[C@@H]2[C@@H](C1)[C@@H]1C[C@@]2([C@H]2CCC[C@H]([C@H]3CC[C@@H]4N[C@H]3N3CCC[C@H]5C[C@@H]6C[C@]4(CN4CCCC[C@H]64)[C@@H]53)N2)CN2CCCC[C@H]12 ZINC000169357118 KJ Annotated Anodyne C1CN[C@@H]2[C@@H](C1)[C@@H]1C[C@]2([C@H]2CCC[C@H]([C@H]3CC[C@@H]4N[C@H]3N3CCC[C@H]5C[C@@H]6C[C@]4(CN4CCCC[C@H]64)[C@@H]53)N2)CN2CCCC[C@H]12 ZINC000169357119 KJ Annotated Anodyne COc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169357245 KJ Annotated Anodyne COc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169357247 KJ Annotated Anodyne CC(=O)OCC[C@H]1OC[C@@]1(OC(C)=O)[C@@H]1/C(C)=C(\OC(C)=O)C(=O)C2=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000169357279 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CN1CCCCC1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169357298 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN1CCCCC1)[C@@H]3OC ZINC000169357299 KJ Annotated Mild CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccc(C#N)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)CC=CN5CC[C@]31[C@@H]54)C2 ZINC000169357305 KJ Annotated Mild C=C1[C@H](O)[C@H](OC(=O)c2ccccc2)/C=C(/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 ZINC000169357380 KJ Annotated Mild CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccc(C(=O)O)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)CC=CN5CC[C@]31[C@@H]54)C2 ZINC000169357475 KJ Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C(=O)OC[C@@H](OC(C)=O)[C@@H]1O[C@@H](O)[C@@H](NC(C)=O)[C@@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O ZINC000169357505 KJ Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@@H](O)[C@@H](NC(C)=O)[C@@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O ZINC000169357506 KJ Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H](O)[C@@H](NC(C)=O)[C@@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O ZINC000169357507 KJ Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C(=O)OC[C@H](OC(C)=O)[C@H]1O[C@@H](O)[C@@H](NC(C)=O)[C@@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O ZINC000169357508 KJ Annotated Mild CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32 ZINC000169357533 KJ Annotated Anodyne CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1NC1C(=O)C(C)=C(C)C1=O ZINC000169357563 KJ Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1NC1C(=O)C(C)=C(C)C1=O ZINC000169357564 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4cc(c(/C=N/N5CCN([14CH3])CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169357612 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4cc(c(/C=N/N5CCN([14CH3])CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169357613 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4cc(c(/C=N/N5CCN([14CH3])CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169357615 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4cc(c(/C=N/N5CCN([14CH3])CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169357616 KJ Annotated Mild C=C1C(=O)[C@H](OC(=O)c2ccccc2)/C=C(/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 ZINC000169357674 KJ Annotated Mild CC(C)(C)[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000169357685 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(C#N)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169357787 KJ Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1nc(C(F)(F)F)cs1)C2 ZINC000169357868 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2C[C@@H](c3nc(C(F)(F)F)cs3)C[C@@H]1Cc1[nH]ncc12 ZINC000169357869 KJ Annotated Anodyne O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(O)nc(Nc5ccc(S(=O)(=O)O)cc5)n4)ccc3S(=O)(=O)O)c(O)c12)c1ccccc1 ZINC000169357925 KJ Annotated Clean C[C@@H]1OC[C@H]2[C@@H]3C[C@H]4N(CC[C@]45c4ccccc4N[C@H]25)/C(=C/C2=CN4CC[C@]56c7ccccc7N[C@H]5[C@H](CO)[C@H]2C[C@H]46)[C@H]13 ZINC000169357972 KJ Annotated Anodyne CC1(C)[C@@H]2/C=C(/CO)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](COC(=O)c4ccccc4)[C@H](O)[C@@H]3[C@H]3O[C@]3(C)CC[C@@H]21 ZINC000169358210 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(SC)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358363 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(SC)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358364 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(SC)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358365 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(SC)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358366 KJ Annotated Mild C/C=C/Nc1c(C)c2c3c4c1C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169358388 KJ Annotated Mild C/C=C/Nc1c(C)c2c3c4c1C(=O)C(=CC4=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169358389 KJ Annotated Mild C/C=C/Nc1c(C)c2c3c4c1C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169358390 KJ Annotated Mild C/C=C/Nc1c(C)c2c3c4c1C(=O)C(=CC4=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169358391 KJ Annotated Mild COc1ccc([C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OCc4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5CC[C@@]4(C)[C@@H]4O[C@H](CN5CCOCC5)O[C@@H]4C(=C2C)C3(C)C)nc1 ZINC000169358446 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=O)N9CCOCC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169358525 KJ Annotated Anodyne CC1=C[C@@H]2CC[C@@H](O)[C@H](C)[C@@H]2[C@@H](C(=O)C2=C(O)[C@H](O)NC2=O)[C@@H]1C[C@H]1O[C@@]2(CC[C@H](C)[C@@H](c3cc(O)cc(O)c3)O2)[C@@H](C)C[C@@H]1C ZINC000169358553 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358749 KJ Annotated Mild in-man CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358750 KJ Annotated Mild in-man CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358751 KJ Annotated Mild in-man CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169358896 KJ 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)[C@H](C)NC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169358910 KJ 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)[C@H](C)NC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169358911 KJ 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)[C@H](C)NC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169358912 KJ Annotated Mild COc1ccc(OC)c(C(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)CCSSC)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C3(C)C)c1 ZINC000169359141 KJ Annotated Reactive COc1ccc(OC)c(C(=O)O[C@H]2[C@H]3[C@](C)(C(=O)[C@H](OC(=O)CCSSC)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C4(C)C)[C@@H](O)C[C@H]2OC[C@]23OC(C)=O)c1 ZINC000169359142 KJ Annotated Reactive COc1ccc(OC)c(C(=O)O[C@H]2[C@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)CCSSC)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C3(C)C)c1 ZINC000169359143 KJ Annotated Reactive COc1ccc(OC)c(C(=O)O[C@H]2[C@@H]3[C@](C)(C(=O)[C@H](OC(=O)CCSSC)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C4(C)C)[C@@H](O)C[C@H]2OC[C@@]32OC(C)=O)c1 ZINC000169359144 KJ Annotated Reactive CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359194 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359195 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359196 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359198 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(CCO)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359332 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(CCO)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359333 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(CCO)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359334 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(CCO)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359335 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169359405 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169359406 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169359407 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169359408 KJ Annotated Anodyne C=C1[C@H](OCC(C)C)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]2[C@H]1OC(C)=O ZINC000169359442 KJ Annotated Mild C=C1[C@H](OCC(C)C)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000169359443 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CN=[N+]=[N-])[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169359453 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN=[N+]=[N-])[C@@H]3OC ZINC000169359454 KJ Annotated Mild Cc1cc(=O)sc2c3c(ccc12)OC[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359549 KJ Annotated Anodyne Cc1cc(=O)sc2c3c(ccc12)OC[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169359550 KJ Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3=O ZINC000169360002 KJ Annotated Anodyne CO[C@@H]1/C=C\[C@@H]2O[C@@]3(C)[C@@H]4c5c(c(C)c(O)c6c5C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H]5OC(C)(C)O[C@H]([C@@H](C)[C@@H](O)[C@@H]1C)[C@@H]5C)C6=O)O[C@@]43O2 ZINC000169360028 KJ Annotated Mild CO[C@@H]1/C=C/[C@@H]2O[C@@]3(C)[C@@H]4c5c(c(C)c(O)c6c5C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H]5OC(C)(C)O[C@H]([C@@H](C)[C@@H](O)[C@@H]1C)[C@@H]5C)C6=O)O[C@@]43O2 ZINC000169360031 KJ Annotated Mild CO[C@@H]1/C=C\[C@@H]2O[C@@]3(C)[C@@H]4c5c(c(C)c(O)c6c5C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H]5OC(C)(C)O[C@H]([C@@H](C)[C@@H](O)[C@@H]1C)[C@@H]5C)C6=O)O[C@@]43O2 ZINC000169360032 KJ Annotated Mild CO[C@@H]1/C=C/[C@@H]2O[C@@]3(C)[C@@H]4c5c(c(C)c(O)c6c5C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H]5OC(C)(C)O[C@H]([C@@H](C)[C@@H](O)[C@@H]1C)[C@@H]5C)C6=O)O[C@@]43O2 ZINC000169360033 KJ 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)CCNC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169360102 KJ 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)CCNC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169360103 KJ 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)CCNC(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169360105 KJ Annotated Mild CCC[C@@H](NC(=O)[C@@H]1Cc2cccc(c2)/C=C\CCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000169360126 KJ Annotated Anodyne CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)/C=C\CCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000169360127 KJ Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCCOC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169360476 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360501 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360502 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360503 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360504 KJ Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169360787 KJ Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OP(=O)(O)O)O[C@@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169360788 KJ Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360798 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360799 KJ Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360800 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360801 KJ Annotated Mild CC1(C)[C@@H]2/C=C(/CO)C(=O)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@H](COC(=O)c3ccccc3)[C@H](O)C[C@H]3O[C@]3(C)CC[C@@H]21 ZINC000169360837 KJ Annotated Mild O=C1NC(=O)[C@@H]2[C@@H]3C([C@](O)(c4ccccc4)c4ccccn4)=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]12 ZINC000169360842 KJ Annotated Anodyne CSSCCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C ZINC000169360912 KJ Annotated Reactive C/C=C1/CN2[C@H]3C[C@@H]1C1=CCC(=O)N4c5ccccc5[C@@]3(C[C@@H]2C2=C[C@@H]3[C@@H]5N(C2=O)c2ccccc2[C@@]52CCN5C/C(=C/CO)[C@@H]3C[C@H]52)[C@H]14 ZINC000169360954 KJ Annotated Anodyne C=C1[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@H]1OCC(C)C ZINC000169361046 KJ Annotated Mild C=C1[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OCC(C)C ZINC000169361047 KJ Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCC/C=C\COc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169361175 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCC/C=C/COc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169361176 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169361190 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169361192 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169361193 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169361195 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(C(=O)OC)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169361294 KJ Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]3C=C([C@](O)(c4ccccc4)c4ccccn4)[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]12 ZINC000169361295 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361323 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169361325 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361327 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361328 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361330 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169361331 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361332 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361333 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361370 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169361371 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361372 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361373 KJ Annotated Mild O=C(NS(=O)(=O)c1ccccc1)[C@@H]1C[C@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000169361374 KJ Annotated Anodyne O=C(NS(=O)(=O)c1ccccc1)[C@H]1C[C@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000169361376 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361584 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169361585 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361586 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361587 KJ Annotated Reactive C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CS(=O)(=O)c1ccc(OC)cc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169361592 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CS(=O)(=O)c1ccc(OC)cc1)[C@@H]3OC ZINC000169361593 KJ Annotated Mild CC(C)(C)OC(=O)N1[C@H]2C3[C@H]4N(C(=O)OC(C)(C)C)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000169361598 KJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2C3[C@H]4N(C(=O)OC(C)(C)C)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000169361599 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(SC)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169361683 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)=C(C)[C@@H]1C2(C)C ZINC000169361690 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)=C(C)[C@@H]1C2(C)C ZINC000169361691 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)=C(C)[C@@H]1C2(C)C ZINC000169361692 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)=C(C)[C@@H]1C2(C)C ZINC000169361693 KJ Annotated Anodyne CO[C@H]1[C@@H](OC(=O)OCc2ccccc2)[C@H](O)[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 ZINC000169361717 KJ Annotated Mild CO[C@H]1[C@@H](OC(=O)OCc2ccccc2)[C@H](O)[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 ZINC000169361718 KJ Annotated Mild CO[C@H]1[C@@H](OC(=O)OCc2ccccc2)[C@@H](O)[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 ZINC000169361719 KJ Annotated Mild CC(=O)O[C@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O[C@@H](C)c2ccccc2)[C@H](O)CO[C@@H]1O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)[C@H](C)C(=O)CCC(C)C ZINC000169362139 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O[C@@H](C)c2ccccc2)[C@H](O)CO[C@@H]1O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)[C@H](C)C(=O)CCC(C)C ZINC000169362141 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000169362142 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000169362144 KJ Annotated Anodyne CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccc(C(=O)OC)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)CC=CN5CC[C@]31[C@@H]54)C2 ZINC000169362197 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169362250 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CNC4CC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccn4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169362311 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@](C)(O)[C@@H](NC(=O)OC(C)(C)C)c4ccccn4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000169362471 KJ Annotated Anodyne Cc1cc2c(c3oc(=O)cc(O)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169362549 KJ Annotated Anodyne Cc1cc2c(c3oc(=O)cc(O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169362550 KJ Annotated Anodyne Cc1c(O)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169362664 KJ Annotated Anodyne Cc1c(O)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169362666 KJ Annotated Anodyne C=C1[C@H](O)[C@@H](OC(=O)c2ccccc2)/C=C(/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 ZINC000169362727 KJ Annotated Mild C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@@H]1C ZINC000169362927 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@@H]1C ZINC000169362928 KJ Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cc(-c3ccccn3)no2)[C@@H]1C)C4=O ZINC000169362935 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cc(-c3ccccn3)no2)[C@@H]1C)C4=O ZINC000169362936 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cc(-c3ccccn3)no2)[C@@H]1C)C4=O ZINC000169362937 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cc(-c3ccccn3)no2)[C@@H]1C)C4=O ZINC000169362939 KJ Annotated Mild Cc1cc(=O)oc2c3c(c(O)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169363016 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(c(O)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169363017 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](OC(=O)CCSSC)[C@@]3(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C3(C)C)c1 ZINC000169363070 KJ Annotated Reactive COc1ccc(OC)c(C(=O)O[C@H]2[C@H]3[C@](C)(C(=O)[C@H](O)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C4(C)C)[C@@H](OC(=O)CCSSC)C[C@H]2OC[C@]23OC(C)=O)c1 ZINC000169363071 KJ Annotated Reactive COc1ccc(OC)c(C(=O)O[C@H]2[C@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](OC(=O)CCSSC)[C@@]3(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C3(C)C)c1 ZINC000169363072 KJ Annotated Reactive COc1ccc(OC)c(C(=O)O[C@H]2[C@@H]3[C@](C)(C(=O)[C@H](O)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@]2(O)C4(C)C)[C@@H](OC(=O)CCSSC)C[C@H]2OC[C@@]32OC(C)=O)c1 ZINC000169363073 KJ Annotated Reactive CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363138 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363139 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363140 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363141 KJ Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3=O ZINC000169363148 KJ Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)O[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@@H](CCC(=O)C(F)(F)F)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169363233 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)O[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@@H](CCC(=O)C(F)(F)F)[C@@H]3OC ZINC000169363234 KJ Annotated Mild COc1ccc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)cc1 ZINC000169363285 KJ Annotated Mild COc1ccc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)cc1 ZINC000169363286 KJ Annotated Mild COc1ccc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)cc1 ZINC000169363287 KJ Annotated Mild COc1ccc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)cc1 ZINC000169363288 KJ Annotated Mild C=CC[C@H](C[C@@H](C)CCC)C(=O)C[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H]2[C@H](CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000169363330 KJ Annotated Mild C=CC[C@H](C[C@@H](C)CCC)C(=O)C[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H]2[C@@H](CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000169363331 KJ Annotated Mild C=CC[C@H](C[C@@H](C)CCC)C(=O)C[C@H](O)[C@H](C)[C@@H]1OC(=O)[C@H]2[C@H](CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000169363332 KJ Annotated Mild C=CC[C@H](C[C@@H](C)CCC)C(=O)C[C@H](O)[C@H](C)[C@@H]1OC(=O)[C@H]2[C@@H](CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000169363333 KJ Annotated Mild Cc1cc(=O)oc2c3c(ccc12)CC[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169363334 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)CC[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169363335 KJ Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C)C4=O ZINC000169363437 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C)C4=O ZINC000169363438 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C)C4=O ZINC000169363439 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C)C4=O ZINC000169363440 KJ Annotated Mild C=C1/C=C(/C)[C@@H](C)C[C@H](O)CC(=O)[C@H](O)[C@@H](O)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CC/C=C\[C@@H]2O[C@H]2C[C@H](C)C1 ZINC000169363453 KJ Annotated Mild C=C1/C=C(/C)[C@@H](C)C[C@H](O)CC(=O)[C@H](O)[C@@H](O)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CC/C=C/[C@@H]2O[C@H]2C[C@H](C)C1 ZINC000169363454 KJ Annotated Mild C=C1/C=C(/C)[C@@H](C)C[C@H](O)CC(=O)[C@H](O)[C@@H](O)[C@H](C)C[C@H](C)OC(=O)/C(C)=C\CC/C=C\[C@@H]2O[C@H]2C[C@H](C)C1 ZINC000169363455 KJ Annotated Mild C=C1/C=C(/C)[C@@H](C)C[C@H](O)CC(=O)[C@H](O)[C@@H](O)[C@H](C)C[C@H](C)OC(=O)/C(C)=C\CC/C=C/[C@@H]2O[C@H]2C[C@H](C)C1 ZINC000169363456 KJ Annotated Mild Cc1cc(=O)c(O)cc2c1C[C@@H]1C[C@@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@@H]3CC(C)(C)/C=C\C[C@@]1(C)O2 ZINC000169363676 KJ Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCCBr)([C@@H]1CSC(=O)N1)C2 ZINC000169364056 KJ Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](OC(=O)NCCBr)([C@@H]1CSC(=O)N1)C2 ZINC000169364057 KJ Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000169364065 KJ Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](OC(=O)NCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000169364066 KJ Annotated Reactive O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000169364067 KJ Annotated Bother O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000169364068 KJ Annotated Bother COc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169364550 KJ Annotated Anodyne COc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169364551 KJ Annotated Anodyne COc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169364552 KJ Annotated Anodyne CO[C@H]1/C=C/C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000169364604 KJ Annotated Mild CO[C@H]1/C=C\C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000169364605 KJ Annotated Mild CO[C@H]1/C=C/C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000169364606 KJ Annotated Mild CC(C)(COC(=O)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C/C#C[C@H]14)S(=O)(=O)c1ccccc1 ZINC000169364680 KJ Annotated Mild CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4cccc(F)n4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169365053 KJ Annotated Anodyne COC(=O)C[C@H]1[C@@]2(C)[C@@]34C[C@@]1(C)[C@@H](OC(C)=O)[C@@]3(OC)[C@H](OC)[C@]13O[C@@](C)(O4)O[C@]12[C@@H](OC)[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](c2ccoc2)OC(=O)/C(=C(\OC)C(C)C)[C@@H]13 ZINC000169365187 KJ Annotated Anodyne COC(=O)C[C@@H]1[C@@]2(C)[C@@]34C[C@@]1(C)[C@@H](OC(C)=O)[C@@]3(OC)[C@H](OC)[C@]13O[C@@](C)(O4)O[C@]12[C@@H](OC)[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](c2ccoc2)OC(=O)/C(=C(\OC)C(C)C)[C@@H]13 ZINC000169365188 KJ Annotated Anodyne COC(=O)C[C@@H]1[C@]2(C)C[C@]34O[C@]5(C)O[C@@]6([C@H]7/C(=C(/OC)C(C)C)C(=O)O[C@H](c8ccoc8)[C@@]7(C)[C@H](OC(=O)C(C)C)[C@H](OC)[C@]6(O5)[C@@]13C)[C@@H](OC)[C@]4(OC)[C@@H]2OC(C)=O ZINC000169365189 KJ Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C[C@]34O[C@]5(C)O[C@@]6([C@H]7/C(=C(/OC)C(C)C)C(=O)O[C@H](c8ccoc8)[C@@]7(C)[C@H](OC(=O)C(C)C)[C@H](OC)[C@]6(O5)[C@@]13C)[C@@H](OC)[C@]4(OC)[C@@H]2OC(C)=O ZINC000169365190 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1 ZINC000169365251 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4cscn4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169365292 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1C ZINC000169365377 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C\[C@@H]1C ZINC000169365378 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@@H]1C ZINC000169365379 KJ Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169365463 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169365465 KJ Annotated Anodyne CC(=O)Nc1ccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](CC[C@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N32)cc1 ZINC000169365614 KJ Annotated Anodyne CC(=O)Nc1ccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](CC[C@@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N32)cc1 ZINC000169365615 KJ Annotated Anodyne COC(=O)[C@@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc3ccccc13)N(C)[C@@H]2c1cccc2ccccc12 ZINC000169365619 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365822 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365824 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365825 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365826 KJ Annotated Anodyne Cc1c(CO)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169366114 KJ Annotated Anodyne Cc1c(CO)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169366115 KJ Annotated Anodyne O=C(OCC(F)(F)F)[C@@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@@H]1c1ccco1 ZINC000169366197 KJ Annotated Anodyne O=C(OCC(F)(F)F)[C@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@@H]1c1ccco1 ZINC000169366198 KJ Annotated Anodyne CCCCCC(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000169366263 KJ Annotated Mild CCCCCC(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000169366264 KJ Annotated Mild CCCCCC(=O)O[C@H]1[C@@H](O)[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](C)[C@H]1OC ZINC000169366266 KJ Annotated Mild CCCCCC(=O)O[C@H]1[C@@H](O)[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](C)[C@H]1OC ZINC000169366268 KJ Annotated Mild CCCCCC(=O)O[C@@H]1[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](C)[C@@H](OC)[C@H]1O ZINC000169366281 KJ Annotated Mild CCCCCC(=O)O[C@@H]1[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](C)[C@@H](OC)[C@H]1O ZINC000169366284 KJ Annotated Mild COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169366326 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169366328 KJ Annotated Anodyne CN1CCN(CCC(=O)N[C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169366463 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CC(=O)O)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169366475 KJ Annotated Anodyne CCC/C=C(\C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000169366560 KJ Annotated Mild CCC/C=C(\C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000169366561 KJ Annotated Mild CCC/C=C(\C)C(=O)O[C@H]1[C@@H](O)[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](C)[C@H]1OC ZINC000169366562 KJ Annotated Mild CCC/C=C(\C)C(=O)O[C@H]1[C@@H](O)[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](C)[C@H]1OC ZINC000169366563 KJ Annotated Mild Cc1cc(=O)c(O)cc2c1C[C@@H]1C[C@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C\C[C@@]1(C)O2 ZINC000169366599 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4nccs4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169366618 KJ Annotated Anodyne CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169366772 KJ Annotated Anodyne CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169366773 KJ Annotated Anodyne O=C(CCl)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCl)n4)n3NC(=O)c3cccc([N+](=O)[O-])c3)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000169366789 KJ Annotated Reactive CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(C(=O)OC(C)(C)C)C3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169367099 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(C(=O)OC(C)(C)C)C3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169367100 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(C(=O)OC(C)(C)C)C3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169367101 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(C(=O)OC(C)(C)C)C3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169367102 KJ Annotated Mild COC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000169367175 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000169367176 KJ Annotated Anodyne COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4Oc5ccccc5O[C@@H]34)cc2)cc1OC ZINC000169367794 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4cccc(F)n4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169367855 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4cscn4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169367907 KJ Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H]([C@H](C)O)[C@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169368169 KJ Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169368170 KJ Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5ccccc5)C3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169368192 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5ccccc5)C3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169368193 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5ccccc5)C3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169368194 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5ccccc5)C3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169368195 KJ Annotated Mild C#C[C@@H](O)/C=C/[C@@H](O)C/C=C/C[C@@H](O)C#C[C@@H](O)C#C[C@@H](O)CCC/C=C\CCCCCCCC[C@@H](O)C(=O)CCCCCCCCC[C@@H](O)C[C@@H](O)C#CC(=O)O ZINC000169368405 KJ Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)C/C=C/C[C@@H](O)C#C[C@@H](O)C#C[C@@H](O)CCC/C=C\CCCCCCCC[C@@H](O)C(=O)CCCCCCCCC[C@@H](O)C[C@@H](O)C#CC(=O)O ZINC000169368406 KJ Annotated Mild C#C[C@@H](O)/C=C/[C@H](O)C/C=C/C[C@@H](O)C#C[C@@H](O)C#C[C@@H](O)CCC/C=C\CCCCCCCC[C@@H](O)C(=O)CCCCCCCCC[C@@H](O)C[C@@H](O)C#CC(=O)O ZINC000169368407 KJ Annotated Mild C#C[C@H](O)/C=C/[C@H](O)C/C=C/C[C@@H](O)C#C[C@@H](O)C#C[C@@H](O)CCC/C=C\CCCCCCCC[C@@H](O)C(=O)CCCCCCCCC[C@@H](O)C[C@@H](O)C#CC(=O)O ZINC000169368409 KJ Annotated Mild CCCCO[C@]1(C)CCN2C[C@@]34C[C@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]21C(=O)N4C ZINC000169368445 KJ Annotated Anodyne CCCCO[C@]1(C)CCN2C[C@]34C[C@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]21C(=O)N4C ZINC000169368446 KJ Annotated Anodyne CCCCCC[C@@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000169368714 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000169368715 KJ Annotated Anodyne CCCCCC[C@@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000169368716 KJ Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169368808 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169368819 KJ Annotated Reactive CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169368947 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169368948 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169368949 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169368950 KJ Annotated Mild CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169369246 KJ Annotated Mild CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169369248 KJ Annotated Mild CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169369251 KJ Annotated Mild CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169369252 KJ Annotated Mild C=C(C)[C@]12O[C@@]34/C=C\CCCCCCCCCCC[C@H](C)[C@H]5[C@H](C)C(=O)[C@@]6(O)[C@H](O)[C@@]7(CO)O[C@H]7[C@@H]([C@H]1O3)[C@](O4)([C@H](C)[C@H]2OC(C)=O)[C@H]56 ZINC000169369258 KJ Annotated Mild C=C(C)[C@]12O[C@@]34/C=C/CCCCCCCCCCC[C@H](C)[C@H]5[C@H](C)C(=O)[C@@]6(O)[C@H](O)[C@@]7(CO)O[C@H]7[C@@H]([C@H]1O3)[C@](O4)([C@H](C)[C@H]2OC(C)=O)[C@H]56 ZINC000169369259 KJ Annotated Mild C/C=C1\CN2CC[C@]34c5ccccc5N5[C@H]3[C@H]([C@H]1C[C@H]24)[C@H]1O[C@@H]5[C@@H]2[C@@H]3N1c1ccccc1[C@@]31CCN3C/C(=C/O)[C@@H]2C[C@H]31 ZINC000169369260 KJ Annotated Anodyne C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000169369273 KJ Annotated Anodyne C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@@H](C)[C@@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000169369274 KJ Annotated Anodyne C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@H](C)[C@@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000169369275 KJ Annotated Anodyne C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](C)[C@@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000169369276 KJ Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@@H](C)[C@@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000169369309 KJ Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000169369310 KJ Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@@H](C)[C@@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169369311 KJ Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169369312 KJ Annotated Mild COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C)C)O1)OC ZINC000169369523 KJ Annotated Anodyne CC(=O)OC[C@@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@@]12CC[C@](C)(C[C@@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000169369688 KJ Annotated Anodyne CC(=O)OC[C@@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@@]12CC[C@](C)(C[C@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000169369689 KJ Annotated Anodyne CC(=O)OC[C@@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@@]12CC[C@@](C)(C[C@@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000169369690 KJ Annotated Anodyne CC(=O)OC[C@@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@@]12CC[C@@](C)(C[C@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000169369691 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/C[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169369814 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\C[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169369815 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/C[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169369816 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@@H](C)[C@@H](O)[C@@H]1C)[C@@H]2C)C4=O ZINC000169369938 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@@H](C)[C@@H](O)[C@@H]1C)[C@@H]2C)C4=O ZINC000169369939 KJ Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@@H](C)[C@@H](O)[C@@H]1C)[C@@H]2C)C4=O ZINC000169369940 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@@H](C)[C@@H](O)[C@@H]1C)[C@@H]2C)C4=O ZINC000169369941 KJ Annotated Mild CN1CCN(CC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169370289 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C(C)(C)[C@@H]1OC(C)=O ZINC000169370378 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C(C)(C)[C@@H]1OC(C)=O ZINC000169370379 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@@H]1OC(C)=O ZINC000169370380 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@@H]1OC(C)=O ZINC000169370381 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370853 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370854 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370855 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370856 KJ Annotated Anodyne C[C@@]1(OC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000169370899 KJ Annotated Reactive C[C@]1(OC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000169370900 KJ Annotated Reactive C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)OC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000169370901 KJ Annotated Reactive CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000169370924 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169371010 KJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000169371098 KJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169371099 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169371157 KJ Annotated Anodyne C=C/C=C\[C@@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169371314 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169371315 KJ Annotated Anodyne C=C/C=C\[C@@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169371316 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169371318 KJ Annotated Anodyne C=C1[C@H](OCC(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000169371479 KJ Annotated Mild C=C1[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OCC(C)C ZINC000169371492 KJ Annotated Mild CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4cncs4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169371512 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccc(F)cn4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169371513 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4cncs4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169371596 KJ Annotated Anodyne C/C=C/C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](Oc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)CCCCC)C(C)=C1C3(C)C ZINC000169371676 KJ Annotated Anodyne C/C=C/C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](Oc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)CCCCC)C(C)=C1C3(C)C ZINC000169371677 KJ Annotated Anodyne C/C=C/C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](Oc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)CCCCC)C(C)=C1C3(C)C ZINC000169371678 KJ Annotated Anodyne C/C=C/C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](Oc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)CCCCC)C(C)=C1C3(C)C ZINC000169371679 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000169371838 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169371974 KJ Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C(=O)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169371998 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C(=O)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169371999 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C(=O)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372000 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C(=O)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372001 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000169372151 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000169372152 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](O)/C(C)=C\[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372407 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](O)/C(C)=C/[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372408 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](O)/C(C)=C\[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372409 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](O)/C(C)=C/[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372410 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N3CCOCC3)/C(C)=C\[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372421 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N3CCOCC3)/C(C)=C/[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372422 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N3CCOCC3)/C(C)=C\[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372423 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N3CCOCC3)/C(C)=C/[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372424 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](O)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372500 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372501 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](O)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372502 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372503 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372761 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372762 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372763 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372764 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169372803 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169372804 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169372856 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169372857 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169372858 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169372859 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](C)NC2=O)cc1Cl ZINC000169372949 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CO)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372956 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CO)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372957 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CO)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372958 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CO)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372959 KJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)N(C)C)C1)O2 ZINC000169373025 KJ Annotated Mild CO[C@H]1/C=C/C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000169373128 KJ Annotated Mild CO[C@H]1/C=C\C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000169373129 KJ Annotated Mild CO[C@H]1/C=C/C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000169373130 KJ Annotated Mild COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169373132 KJ Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169373133 KJ Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169373134 KJ Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169373135 KJ Annotated Reactive Cc1cc(=O)oc2c3c(c(CO)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169373261 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(c(CO)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169373262 KJ Annotated Anodyne CCOc1ccc(C2=N[C@H]3[C@]45CCN(C)[C@@H](Cc6ccc(OC)c(O)c64)[C@]54C=C[C@@]3(OC)[C@@]2(C)C4)cc1 ZINC000169373264 KJ Annotated Anodyne CCCCN1C(=O)N(c2ccc(Br)cc2)C(=O)[C@@H]1c1nnnn1-c1c(C)cccc1Cl ZINC000169375305 KJ Annotated Anodyne CCCCN1C(=O)N(c2ccc(Br)cc2)C(=O)[C@H]1c1nnnn1-c1c(C)cccc1Cl ZINC000169375306 KJ Annotated Anodyne COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCNC(C)=O)cc1Br)[C@@H]2OC(C)=O ZINC000169401457 KJ Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000169615595 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n([C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000169615596 KJ Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)OC3=C(C2=O)[C@@H]2C(O)=C(N4CCOCC4)C(=C(O)[C@@H]2C(O)=C3C)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(=O)COC(=O)CC2=CN(C)C=CC2)[C@H]1C ZINC000169621244 KJ Annotated Mild in-vivo CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)[C@H]4C[C@@]5(C)O[C@@](C)(O4)OC5(C)C)[C@@]13C)[C@H](OC(C)=O)C[C@]13O[C@H]1C(=O)C=C[C@]23C ZINC000169638022 KJ Annotated Mild CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@]3(O)CC[C@H]4[C@H]5[C@H](CC[C@@]43C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5O)C[C@@](C)(O1)C(C)(C)O2 ZINC000169638175 KJ Annotated Mild C[C@H]1C[C@H]2CCCN2[C@H](CC(=O)C[C@H]2N3CCC[C@@H]3C[C@H](C)[C@@]2(O)c2ccccc2)[C@]1(O)c1ccccc1 ZINC000169644143 KJ Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]34C)[C@@H]2[C@@H]1O ZINC000169648894 KJ Annotated Anodyne C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)/C=C\C=C/C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169653335 KJ Annotated Mild C/C=C1/CN2CC[C@]34c5ccccc5N5[C@H](C(=O)OC)[C@H]1C[C@H]2[C@@]53OC(=O)c1c4cc2c(c1O)O[C@@]13[C@@H]4C[C@H]5/C(=C\C)CN4CC[C@@]21c1ccccc1N3[C@@H]5C(=O)OC ZINC000169654681 KJ Annotated Anodyne O=C1N/C=C\c2ccc(cc2)O[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccccc2)C(=O)N[C@H]1Cc1ccccc1 ZINC000169656194 KJ Annotated Anodyne CC[C@H](C)C(=O)N[C@H]1CCCN1C(=O)[C@H]1C(=O)c2c(OC)cc(OC)cc2O[C@@](C(=O)OC)(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000169658332 KJ Annotated Anodyne N#Cc1ncc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)n1 ZINC000169684960 KJ Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169685075 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCC/C=C\CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169685322 KJ Annotated Anodyne C[C@H]1C/C=C/CCCCCCCCOC(=O)N1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169685326 KJ Annotated Anodyne C[C@@H]1C/C=C/CCCCCCCCOC(=O)N1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169685327 KJ Annotated Anodyne C[C@H]1C/C=C\CCCCCCCOC(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000169685329 KJ Annotated Anodyne C[C@@H]1C/C=C\CCCCCCCOC(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000169685331 KJ Annotated Anodyne CN(C(=O)O)[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1 ZINC000169685607 KJ Annotated Anodyne COc1cccc(CCN(C[C@@H](O)[C@@H](NC(=O)Cn2c(O)csc2=S)c2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000169687024 KJ Annotated Anodyne COc1cccc(CCN(C[C@H](O)[C@@H](NC(=O)Cn2c(O)csc2=S)c2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000169687025 KJ Annotated Anodyne CN1[C@@H](c2ccc(C(=N)N)cc2)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C3CCCCC3)[C@@H]2C1(C)C ZINC000169687037 KJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000169687555 KJ Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000169687556 KJ Annotated Mild CCOC(=O)[C@@H]1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000169687558 KJ Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000169687559 KJ Annotated Mild COC[C@@H]([C@@H](O)[C@H](O)C(=O)NCC[C@@H](C)c1nc(/C=C/C[C@@H]2O[C@@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)OC)[C@H](O)C3(C)C)co1)N(C)C ZINC000169687722 KJ Annotated Reactive COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@@H](C)c1nc(/C=C/C[C@@H]2O[C@@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)OC)[C@H](O)C3(C)C)co1)N(C)C ZINC000169687723 KJ Annotated Reactive COC[C@@H]([C@@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)OC)[C@H](O)C3(C)C)co1)N(C)C ZINC000169687724 KJ Annotated Reactive COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)OC)[C@H](O)C3(C)C)co1)N(C)C ZINC000169687725 KJ Annotated Reactive CN(C)C1=N[C@@H]2[C@@H](OCc3ccccc3)[C@H](COCc3ccccc3)[C@@H]([C@@H](O)C3SCCCS3)O[C@@H]2S1 ZINC000169688165 KJ Annotated Anodyne CN(C)C1=N[C@@H]2[C@@H](OCc3ccccc3)[C@H](COCc3ccccc3)[C@@H]([C@H](O)C3SCCCS3)O[C@@H]2S1 ZINC000169688166 KJ Annotated Anodyne COc1ccccc1-n1c(O)c2n(-c3ccc(Br)cc3)[nH]c(C(=O)c3ccccc3)c-2c1=O ZINC000169688702 KJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)S/C1=N\c1ccccc1 ZINC000169688811 KJ Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)S/C1=N\c1ccccc1 ZINC000169688812 KJ Annotated Mild CCOC(=O)[C@@H]1C(CC)=Nc2ccccc2N=C1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000169689141 KJ Annotated Anodyne CCOC(=O)[C@H]1C(CC)=Nc2ccccc2N=C1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000169689142 KJ Annotated Anodyne O=C(O)COc1ccccc1C/N=N/c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000169689144 KJ Annotated Clean O=C(O)COc1ccccc1C/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000169690312 KJ Annotated Clean O=C1c2ccccc2C(=O)C1C1=N[C@@H](c2ccccn2)c2c1c(O)n(-c1ccc(OC(F)(F)F)cc1)c2O ZINC000169690470 KJ Annotated Clean O=C1c2ccccc2C(=O)C1C1=N[C@H](c2ccccn2)c2c1c(O)n(-c1ccc(OC(F)(F)F)cc1)c2O ZINC000169690471 KJ Annotated Clean O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000169690806 KJ Annotated Anodyne O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccc(Br)cc1 ZINC000169690807 KJ Annotated Anodyne O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000169690808 KJ Annotated Anodyne O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccc(Br)cc1 ZINC000169690809 KJ Annotated Anodyne O=[N+]([O-])c1ccc(-c2ccc(C/N=N/c3nc(NCc4ccccc4)nc(N4CCOCC4)n3)o2)cc1 ZINC000169692278 KJ Annotated Clean O=C(Nc1cccc(Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cccc(Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1 ZINC000169692757 KJ Annotated Anodyne CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000169693260 KJ Annotated Bother O=N[C@@H]1C[C@@H](NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c21 ZINC000169693350 KJ Annotated Anodyne O=N[C@H]1C[C@@H](NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c21 ZINC000169693351 KJ Annotated Anodyne O=N[C@@H]1C[C@H](NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c21 ZINC000169693352 KJ Annotated Anodyne O=N[C@H]1C[C@H](NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c21 ZINC000169693353 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693600 KJ Annotated Bother CC(C)CCC[C@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693601 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693602 KJ Annotated Bother CC(C)CCC[C@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693603 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OC(CN(C)C)CN(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693604 KJ Annotated Anodyne CC(C)CCC[C@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OC(CN(C)C)CN(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693605 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OC(CN(C)C)CN(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693606 KJ Annotated Anodyne CC(C)CCC[C@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OC(CN(C)C)CN(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693607 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693608 KJ Annotated Bother CC(C)CCC[C@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693609 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693610 KJ Annotated Bother CC(C)CCC[C@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693611 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CCN(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693612 KJ Annotated Anodyne CC(C)CCC[C@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CCN(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693613 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CCN(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693614 KJ Annotated Anodyne CC(C)CCC[C@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CCN(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693615 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693616 KJ Annotated Bother CC(C)CCC[C@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693617 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693618 KJ Annotated Bother CC(C)CCC[C@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169693619 KJ Annotated Bother C=C/C(C)=C/[C@@]1(C)SC(=O)[C@@H](CCCCn2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)C1=O ZINC000169693648 KJ Annotated Anodyne C=C/C(C)=C/[C@@]1(C)SC(=O)[C@H](CCCCn2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)C1=O ZINC000169693649 KJ Annotated Anodyne CN1C/C=C\CNC(=O)Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCN(S(C)(=O)=O)CC4)cc3F)c(C3CCCCC3)c3ccc(cc32)C(=O)NS1(=O)=O ZINC000169694357 KJ Annotated Anodyne CN1C/C=C/CNC(=O)Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCN(S(C)(=O)=O)CC4)cc3F)c(C3CCCCC3)c3ccc(cc32)C(=O)NS1(=O)=O ZINC000169694358 KJ Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C(F)(F)F)c2)n1 ZINC000169694636 KJ Annotated Anodyne CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1 ZINC000169694637 KJ Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2)n1 ZINC000169694638 KJ Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2)n1 ZINC000169694642 KJ Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2C)n1 ZINC000169694646 KJ Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(NS(=O)(=O)C(C)C)cc(OC(F)F)c2)n1 ZINC000169694648 KJ Annotated Anodyne CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694655 KJ Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)CC3CC3)c2F)n1 ZINC000169694661 KJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl ZINC000169694664 KJ Annotated Anodyne CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl ZINC000169694666 KJ Annotated Anodyne CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694668 KJ Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(-c3ccc(F)cc3F)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694686 KJ Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cccc(NS(=O)(=O)CCC(F)(F)F)c2F)n1 ZINC000169694698 KJ Annotated Anodyne CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694699 KJ Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695063 KJ Annotated Anodyne COC(=O)COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695064 KJ Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695065 KJ Annotated Anodyne COC(=O)COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695066 KJ Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695067 KJ Annotated Anodyne COC(=O)COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695068 KJ Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695069 KJ Annotated Anodyne COC(=O)COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695070 KJ Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695198 KJ Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695199 KJ Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695200 KJ Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695201 KJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC[S@@](C)=O ZINC000169695267 KJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC[S@@](C)=O ZINC000169695268 KJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC[S@@](C)=O ZINC000169695269 KJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC[S@@](C)=O ZINC000169695270 KJ Annotated Anodyne COCCOCc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695271 KJ Annotated Anodyne COCCOCc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695272 KJ Annotated Anodyne COCCOCc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695273 KJ Annotated Anodyne COCCOCc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695274 KJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695781 KJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695782 KJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695783 KJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695784 KJ Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696397 KJ Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696398 KJ Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696399 KJ Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696400 KJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCC3OCCO3)cc2)cs1 ZINC000169696413 KJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCC3OCCO3)cc2)cs1 ZINC000169696414 KJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OCC3OCCO3)cc2)cs1 ZINC000169696415 KJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OCC3OCCO3)cc2)cs1 ZINC000169696416 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696437 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696438 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696439 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696440 KJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696481 KJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696482 KJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696483 KJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696484 KJ Annotated Anodyne CCNC(=O)c1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696521 KJ Annotated Anodyne CCNC(=O)c1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696522 KJ Annotated Anodyne CCNC(=O)c1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696523 KJ Annotated Anodyne CCNC(=O)c1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696524 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)N(C)C)cc2)o1 ZINC000169696547 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)N(C)C)cc2)o1 ZINC000169696548 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)N(C)C)cc2)o1 ZINC000169696549 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)N(C)C)cc2)o1 ZINC000169696550 KJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696583 KJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696584 KJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696585 KJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696586 KJ Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696587 KJ Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696588 KJ Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696589 KJ Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696590 KJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC1OCCO1 ZINC000169696603 KJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC1OCCO1 ZINC000169696604 KJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC1OCCO1 ZINC000169696605 KJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC1OCCO1 ZINC000169696606 KJ Annotated Anodyne COC(=O)C(C)(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC ZINC000169696619 KJ Annotated Anodyne COC(=O)C(C)(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC ZINC000169696620 KJ Annotated Anodyne COC(=O)C(C)(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC ZINC000169696621 KJ Annotated Anodyne COC(=O)C(C)(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC ZINC000169696622 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)N(C)C)cc2)s1 ZINC000169696687 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)N(C)C)cc2)s1 ZINC000169696688 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)N(C)C)cc2)s1 ZINC000169696689 KJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)N(C)C)cc2)s1 ZINC000169696690 KJ Annotated Anodyne COCCN(C)C(=O)c1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696715 KJ Annotated Anodyne COCCN(C)C(=O)c1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696716 KJ Annotated Anodyne COCCN(C)C(=O)c1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696717 KJ Annotated Anodyne COCCN(C)C(=O)c1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696718 KJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC1CCOCC1 ZINC000169696744 KJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC1CCOCC1 ZINC000169696745 KJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC1CCOCC1 ZINC000169696746 KJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC1CCOCC1 ZINC000169696747 KJ Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OCCO)N(c2nc4cc(OC)ccc4s2)C3=O)cc1 ZINC000169696867 KJ Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OCCO)N(c2nc4ccc(OC)cc4s2)C3=O)cc1 ZINC000169696868 KJ Annotated Anodyne C[S@@](=O)CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696903 KJ Annotated Anodyne C[S@](=O)CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696904 KJ Annotated Anodyne C[S@@](=O)CCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696905 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(N4CC[C@H](N5CCCC5)C4)cc3F)C2=O)CC1 ZINC000169697579 KJ Annotated Anodyne CCn1c(N2CCN(CCCN3CCOCC3)CC2)nc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000169697609 KJ Annotated Anodyne O=C(OCCCN1CCOCC1)OCN(C(=O)Cc1ccccc1)c1nnc(CCSCCc2nnc(N(COC(=O)OCCCN3CCOCC3)C(=O)Cc3ccccc3)s2)s1 ZINC000169697686 KJ Annotated Anodyne CC(=O)C[C@@H](C(=O)NC(=N)SC(=N)CSCCC(=N)SC(=N)NC(=O)[C@H](OC(C)=O)c1ccccc1)c1ccccc1 ZINC000169698053 KJ Annotated Anodyne O=C(Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)nn1)[C@@H](O)c1cccc(Cl)c1 ZINC000169698350 KJ Annotated Anodyne O=C(Nc1nnc(CCCCc2ccc(NC(=O)[C@H](O)c3cccc(Cl)c3)nn2)s1)[C@@H](O)c1cccc(Cl)c1 ZINC000169698351 KJ Annotated Anodyne O=C(Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1)[C@@H](O)c1cccc(Cl)c1 ZINC000169698352 KJ Annotated Anodyne O=C(Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1)[C@H](O)c1cccc(Cl)c1 ZINC000169698353 KJ Annotated Anodyne C[C@@H](C(=O)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)nn1)c1ccccc1 ZINC000169698379 KJ Annotated Anodyne C[C@H](C(=O)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)nn1)c1ccccc1 ZINC000169698380 KJ Annotated Anodyne C[C@@H](C(=O)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1)c1ccccc1 ZINC000169698381 KJ Annotated Anodyne C[C@H](C(=O)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1)c1ccccc1 ZINC000169698382 KJ Annotated Anodyne CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC000169698941 KJ Annotated Anodyne COc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nn1 ZINC000169698951 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169699128 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1CCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169699146 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1CCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169699147 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1CCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169699148 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1CCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169699149 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1(C)CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169699179 KJ Annotated Mild CCCN(C)S(=O)(=O)NC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@]3(CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C2CCCCC2)C(C)(C)C)C(C)(C)C32CCC2)C[C@H]1CC ZINC000169699181 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1(C)CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169699186 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1(C)CCOCC1)C1(C)CCCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169699187 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc3cc(OC)ccc3[nH]1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169699221 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc3ccccc3n1C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169699222 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc3ccccc3o1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169699230 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc3occc3c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169699231 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccnc3ccccc13)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 ZINC000169699233 KJ Annotated Mild COC1=CC(=O)C(CC(=O)Cc2ccc(O)c(OC)c2)=C(c2cc(CCCc3ccc(O)c(OC)c3)c(OC)cc2O)C1=O ZINC000169700193 KJ Annotated Mild COC1=CC(=O)C([C@@H](CCc2ccc(O)c(OC)c2)c2c(OC)cc3c(c2O)CC[C@H](c2ccc(O)c(O)c2)O3)=CC1=O ZINC000169700199 KJ Annotated Mild COC1=CC(=O)C([C@H](CCc2ccc(O)c(OC)c2)c2c(OC)cc3c(c2O)CC[C@H](c2ccc(O)c(O)c2)O3)=CC1=O ZINC000169700200 KJ Annotated Mild COC1=CC(=O)C([C@@H](CCc2ccc(O)c(OC)c2)c2c(OC)cc3c(c2O)CC[C@@H](c2ccc(O)c(O)c2)O3)=CC1=O ZINC000169700201 KJ Annotated Mild COC1=CC(=O)C([C@H](CCc2ccc(O)c(OC)c2)c2c(OC)cc3c(c2O)CC[C@@H](c2ccc(O)c(O)c2)O3)=CC1=O ZINC000169700202 KJ Annotated Mild O=C(O)C1(CN[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CCC1 ZINC000169700226 KJ Annotated Anodyne O=C(O)[C@@H]1CCCN([C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700227 KJ Annotated Anodyne O=C(O)[C@H]1CCCN([C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700228 KJ Annotated Anodyne O=C1OCCN1C(=O)C1=[N+](c2ccc(Br)cc2)N[C-](c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000169700564 KJ Annotated Bother O=C(C[C@H]1C/C=C/CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169700575 KJ Annotated Anodyne CCOC(=O)CNC(=O)[C@@H](C1CC1)n1c(Cc2ccccc2)nc2cc(Br)c(Br)cc21 ZINC000169700651 KJ Annotated Anodyne CCOC(=O)CNC(=O)[C@H](C1CC1)n1c(Cc2ccccc2)nc2cc(Br)c(Br)cc21 ZINC000169700652 KJ Annotated Anodyne CCC[C@@H](C(=O)NCC(=O)OCC)n1c(C(=O)c2ccccc2)nc2cc(Br)c(Br)cc21 ZINC000169700655 KJ Annotated Anodyne CCC[C@H](C(=O)NCC(=O)OCC)n1c(C(=O)c2ccccc2)nc2cc(Br)c(Br)cc21 ZINC000169700656 KJ Annotated Anodyne CCNc1ccc(C#Cc2c(CC)ncnc2-c2ccc(C(=O)N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)c(F)c2)cn1 ZINC000169700691 KJ Annotated Mild CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NCc2ccc(Br)cc2)c1 ZINC000169700715 KJ Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NCc2ccc(Br)cc2)c1 ZINC000169700716 KJ Annotated Anodyne CC(=O)Oc1cccc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000169702053 KJ Annotated Anodyne CC(C)(CN1CCC1)Oc1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cc2C(N)=O)nc1 ZINC000169702088 KJ Annotated Anodyne CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(OCC(F)(F)F)cc2C(F)(F)F)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702093 KJ Annotated Anodyne CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(O[C@@H](C)C(F)(F)F)cc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702124 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCO2)[C@H](C1=CC=CCC1)c1ccccc1 ZINC000169702540 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCO2)[C@@H](C1=CC=CCC1)c1ccccc1 ZINC000169702541 KJ Annotated Anodyne CC[C@@H](C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 ZINC000169702552 KJ Annotated Anodyne CC[C@H](C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 ZINC000169702553 KJ Annotated Anodyne COc1ccc(-c2nn(C3CC3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 ZINC000169702621 KJ Annotated Anodyne CC(C)(C)n1cc(CN2CC3(C2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000169702631 KJ Annotated Anodyne CC1(C)Oc2c(cc(Nc3nccc(C(F)(F)F)n3)cc2-c2cnc([C@@H](O)C(F)F)s2)NC1=O ZINC000169703164 KJ Annotated Anodyne CC1(C)Oc2c(cc(Nc3nccc(C(F)(F)F)n3)cc2-c2cnc([C@H](O)C(F)F)s2)NC1=O ZINC000169703166 KJ Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@@H]3CC[C@@H](O)CC3)c2)c2nccc(-c3cnc4[nH]ccc4c3)c12 ZINC000169703455 KJ Annotated Anodyne CC(=O)N(c1cc(-n2nc(C(C)C)c3c(-c4cnc5ccccc5c4)ccnc32)ccc1C(N)=O)C1CCNCC1 ZINC000169703492 KJ Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(N(O)C3CCCCC3)c2)c2nccc(-n3cnc(-c4cncnc4)c3)c12 ZINC000169703500 KJ Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)cc2Cl)c2nccc(-n3cnc(-c4ccc(C(=O)N(C)C)cc4)c3)c12 ZINC000169703556 KJ Annotated Anodyne Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3-c3ccccc3)cn2)cn1 ZINC000169703575 KJ Annotated Anodyne CC(C)Nc1cc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)ccc1C(N)=O ZINC000169703582 KJ Annotated Anodyne NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)c(NC2CCC2)c1 ZINC000169703584 KJ Annotated Anodyne CCNc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C(C)C)c4)c3)ccnc21 ZINC000169703589 KJ Annotated Anodyne O[C@@H](CN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1)C(F)(F)F ZINC000169703831 KJ Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(OC)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703835 KJ Annotated Anodyne CC1(N[C@@H]2CC[C@@H](Nc3cc(-c4ccc(F)c(NCC5CCOCC5)n4)c(Cl)cn3)CC2)OCCO1 ZINC000169703846 KJ Annotated Anodyne CC1(N[C@@H]2CC[C@@H](Nc3cc(-c4ccc(F)c(NCC5(C#N)CCOCC5)n4)c(Cl)cn3)CC2)OCCO1 ZINC000169703848 KJ Annotated Mild COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(C)CCS(=O)(=O)CC4)n3)c(Cl)cn2)CC1 ZINC000169703853 KJ Annotated Anodyne COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br ZINC000169703931 KJ Annotated Anodyne Cc1cc(Nc2cc(-c3c[nH]nn3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000169704390 KJ Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)NS(C)(=O)=O)ccc43)s2)c1 ZINC000169704403 KJ Annotated Anodyne CCN(CC)CCNC(=O)C(C)(C)/N=C/[C@@H](C=N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704617 KJ Annotated Mild CCN(CC)CCNC(=O)C(C)(C)/N=C/[C@H](C=N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704618 KJ Annotated Mild CC(C)(C(=O)NC1CC1)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 ZINC000169704623 KJ Annotated Anodyne CC(C)(C)OC(=O)NC1CN(c2ccnc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)n2)C1 ZINC000169704657 KJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cc(CO)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000169704741 KJ Annotated Anodyne CCOC(=O)Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704759 KJ Annotated Anodyne NC1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)CC1 ZINC000169704769 KJ Annotated Anodyne CCN1CCN(CCNC(=O)[C@@H](Oc2cc3c(cc2OC)ncc2c3c(-c3ccc(C#N)cc3)nn2C)c2ccc(F)cc2)CC1 ZINC000169704816 KJ Annotated Mild CCN1CCN(CCNC(=O)[C@H](Oc2cc3c(cc2OC)ncc2c3c(-c3ccc(C#N)cc3)nn2C)c2ccc(F)cc2)CC1 ZINC000169704817 KJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@@H](C(=O)NCCN(C)C)c1ccc(F)cc1 ZINC000169704818 KJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@H](C(=O)NCCN(C)C)c1ccc(F)cc1 ZINC000169704819 KJ Annotated Mild [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)cc1 ZINC000169705443 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)cc1 ZINC000169705444 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)cc1 ZINC000169705445 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)cc1 ZINC000169705446 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000169705487 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000169705488 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705489 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705490 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C(N)=O)cc1C)C2=O ZINC000169705544 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(C(N)=O)cc1C)C2=O ZINC000169705545 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2ccc(C(N)=O)cc2C)C3=O)c(OC)n1 ZINC000169705546 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2ccc(C(N)=O)cc2C)C3=O)c(OC)n1 ZINC000169705547 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N([C@@H]2CC[C@@H](C(=O)O)CC2)C3=O)c(OC)n1 ZINC000169705548 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N([C@@H]2CC[C@@H](C(=O)O)CC2)C3=O)c(OC)n1 ZINC000169705549 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N([C@@H]2CC[C@@H](NC(C)=O)CC2)C3=O)c(OC)n1 ZINC000169705550 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N([C@@H]2CC[C@@H](NC(C)=O)CC2)C3=O)c(OC)n1 ZINC000169705551 KJ Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705627 KJ Annotated Mild COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705628 KJ Annotated Mild COc1nc(N)ncc1C1=N[C@@H]2C(=O)N(c3cccc(Cl)c3F)[C@@H](c3ccc(Cl)cc3)[C@@H]2N1C(C)C ZINC000169705697 KJ Annotated Anodyne COc1nc(N)ncc1C1=N[C@H]2C(=O)N(c3cccc(Cl)c3F)[C@@H](c3ccc(Cl)cc3)[C@@H]2N1C(C)C ZINC000169705698 KJ Annotated Anodyne COc1nc(N)ncc1C1=N[C@@H]2C(=O)N(c3cccc(Cl)c3F)[C@H](c3ccc(Cl)cc3)[C@@H]2N1C(C)C ZINC000169705699 KJ Annotated Anodyne COc1nc(N)ncc1C1=N[C@H]2C(=O)N(c3cccc(Cl)c3F)[C@H](c3ccc(Cl)cc3)[C@@H]2N1C(C)C ZINC000169705700 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705707 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705708 KJ Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705717 KJ Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705718 KJ Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)nc(C)n1)C2=O ZINC000169705777 KJ Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)nc(C)n1)C2=O ZINC000169705778 KJ Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705787 KJ Annotated Mild COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705788 KJ Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)nc(C)n2)C3=O)c(OC)n1 ZINC000169705799 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)nc(C)n2)C3=O)c(OC)n1 ZINC000169705800 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705813 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705814 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705815 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705816 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@](C)(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705817 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@](C)(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705818 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705819 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705820 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000169705821 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000169705822 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)nnc1OC)C2=O ZINC000169705839 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)nnc1OC)C2=O ZINC000169705840 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2F)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705843 KJ Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2F)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705844 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1F)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705845 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1F)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705846 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1c(F)c(C)nn1C)C2=O ZINC000169705847 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1c(F)c(C)nn1C)C2=O ZINC000169705848 KJ Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1c(F)c(C3CC3)nn1C)C2=O ZINC000169705851 KJ Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1c(F)c(C3CC3)nn1C)C2=O ZINC000169705852 KJ Annotated Anodyne COc1nc(N2CCS(=O)(=O)CC2)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705853 KJ Annotated Mild COc1nc(N2CCS(=O)(=O)CC2)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705854 KJ Annotated Mild NC1(c2ccc(-n3c(-c4ncccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705897 KJ Annotated Anodyne NC1(c2ccc(-n3c(-c4ccnnc4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705898 KJ Annotated Anodyne CC(C)c1cc(-c2nn(COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000169706526 KJ Annotated Anodyne CC(C)c1cc(-c2nn(COC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000169706527 KJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC5CCN(C)CC5)ccn34)c12 ZINC000169706569 KJ Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6C[C@@H]7CC[C@@H](C6)O7)ccn45)cccc32)n1 ZINC000169706573 KJ Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6C[C@@H]7CC[C@H](C6)O7)ccn45)cccc32)n1 ZINC000169706574 KJ Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6C[C@H]7CC[C@H](C6)O7)ccn45)cccc32)n1 ZINC000169706575 KJ Annotated Anodyne C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707170 KJ Annotated Anodyne C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707171 KJ Annotated Anodyne O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COC(C(F)(F)F)C(F)(F)F)c3)n(-c3ccccc3)n2)O1 ZINC000169707288 KJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OCCC(F)(F)F)cc2)c1 ZINC000169707296 KJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC(=O)OC(C)(C)C)c2)c1 ZINC000169707310 KJ Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COC(C(F)(F)F)C(F)(F)F)c3)n(-c3ccc(F)cc3)n2)CN1 ZINC000169707327 KJ Annotated Mild CC(C)Oc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)ccc1F ZINC000169707335 KJ Annotated Anodyne CCCOc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)ccc1F ZINC000169707336 KJ Annotated Anodyne CCCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707361 KJ Annotated Anodyne CC(C)Oc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707362 KJ Annotated Anodyne CC(C)Oc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707369 KJ Annotated Anodyne CCOc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707371 KJ Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1)C(F)(F)F ZINC000169707383 KJ Annotated Anodyne CC(C)Oc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1F ZINC000169707389 KJ Annotated Anodyne CCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1F ZINC000169707392 KJ Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1)C(F)(F)F ZINC000169707410 KJ Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1)C(F)(F)F ZINC000169707416 KJ Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1)C(F)(F)F ZINC000169707417 KJ Annotated Anodyne CC(C)Oc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707432 KJ Annotated Anodyne CCOc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707435 KJ Annotated Anodyne CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707449 KJ Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)O3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707451 KJ Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(COC(C(F)(F)F)C(F)(F)F)c3)n(-c3ccc(F)cc3)n2)CN1 ZINC000169707454 KJ Annotated Mild CC(C)(OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707455 KJ Annotated Anodyne C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2F)c1)C(F)(F)F ZINC000169707458 KJ Annotated Anodyne C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1)C(F)(F)F ZINC000169707459 KJ Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(COC(C(F)(F)F)C(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707464 KJ Annotated Mild CC(C)(OCc1cc(Cl)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707471 KJ Annotated Anodyne CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707472 KJ Annotated Anodyne CC(C)(OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707476 KJ Annotated Anodyne CC(C)(OCc1cc(Cl)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707477 KJ Annotated Anodyne CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707480 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4C34C[C@@H]5CC3C[C@H](C5)C4)c2=O)C[C@H]1C(=O)OCC ZINC000169707537 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4C34C[C@@H]5CC3C[C@@H](C5)C4)c2=O)C[C@H]1C(=O)OCC ZINC000169707538 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4C34C[C@H]5CC3C[C@@H](C5)C4)c2=O)C[C@H]1C(=O)OCC ZINC000169707539 KJ Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N(C)CCO)CC1)C(=O)C2 ZINC000169708270 KJ Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N(C)CCO)CC1)C(=O)C2 ZINC000169708271 KJ Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(N)=O)CC1)C(=O)C2 ZINC000169708274 KJ Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(N)=O)CC1)C(=O)C2 ZINC000169708275 KJ Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N3CCNC3=O)CC1)C(=O)C2 ZINC000169708276 KJ Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N3CCNC3=O)CC1)C(=O)C2 ZINC000169708277 KJ Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(=O)CCO)CC1)C(=O)C2 ZINC000169708278 KJ Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(=O)CCO)CC1)C(=O)C2 ZINC000169708279 KJ Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CNC(=O)OC(C)(C)C)c12 ZINC000169708343 KJ Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CNC(=O)OC(C)(C)C)c12 ZINC000169708344 KJ Annotated Anodyne Cc1c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12 ZINC000169708365 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(OCC5CC5)c4)C3)cc2)s1 ZINC000169709235 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)s1 ZINC000169709238 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(OC(C)C)c4)C3)cc2)s1 ZINC000169709242 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709387 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709388 KJ Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709508 KJ Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709509 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709575 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709576 KJ Annotated Anodyne COCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709635 KJ Annotated Anodyne COCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709636 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(N5CCC(F)(F)C5)c4F)C3)cc2)s1 ZINC000169709641 KJ Annotated Anodyne CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccnc(N5CCC(F)(F)C5)c4F)C3)cc2)s1 ZINC000169709642 KJ Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709645 KJ Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709646 KJ Annotated Anodyne Cc1nc(N)sc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709937 KJ Annotated Anodyne Cc1nc(N)sc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709938 KJ Annotated Anodyne Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C ZINC000169710219 KJ Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cc(Cl)nn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C ZINC000169710220 KJ Annotated Mild CCOc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1 ZINC000169710221 KJ Annotated Mild CCc1c(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C ZINC000169710228 KJ Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4c(C)n(C)n([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C ZINC000169710230 KJ Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4c(C)n(C)n([C@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C ZINC000169710231 KJ Annotated Mild CCN1CCC(n2c(C)nc3cnc4ccc(C#CCNC(=O)c5cc(C)nn(Cc6ccc(F)c(F)c6)c5=O)cc4c32)CC1 ZINC000169710247 KJ Annotated Mild CC(C)N1CCC(n2cnc3cnc4ccc(C#CCNC(=O)c5cccn(Cc6ccc(F)c(F)c6)c5=O)cc4c32)CC1 ZINC000169710249 KJ Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4ccnn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCN(C(C)C)CC1 ZINC000169710253 KJ Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCN(C)CC1 ZINC000169710254 KJ Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5cccc(F)c5)c4=O)cc3c2n1[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000169710268 KJ Annotated Mild CC(C)(C)OC(=O)NCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000169710797 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000169710798 KJ Annotated Anodyne O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N1CC=C(c2ncc(C[C@@H](O)CO)cc2Cl)CC1 ZINC000169710873 KJ Annotated Anodyne O=C(O)CCNC(=O)c1nc(-c2ccccc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711002 KJ Annotated Anodyne O=C(O)CCNC(=O)c1nc(-c2cncc(Cl)c2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711055 KJ Annotated Anodyne C[C@@H](c1ccccc1)n1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCC(=O)O)nc(-c3cccnc3)c21 ZINC000169711058 KJ Annotated Anodyne C[C@H](c1ccccc1)n1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCC(=O)O)nc(-c3cccnc3)c21 ZINC000169711059 KJ Annotated Anodyne O=C(O)CCNC(=O)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3)c(=O)n2CC2CCCCC2)c1O ZINC000169711067 KJ Annotated Anodyne O=C(O)CCNC(=O)c1nc(-c2ccncc2)c2c(cc(-c3ccccc3)c(=O)n2CC2CCCCC2)c1O ZINC000169711081 KJ Annotated Anodyne Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711424 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@H](C)O)CC5)cc4)c3)c(OC)cc21 ZINC000169711491 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc([C@@H]5CCNC[C@@H]5F)cc4)c3)c(OC)cc21 ZINC000169711493 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc([C@H]5CCNC[C@@H]5F)cc4)c3)c(OC)cc21 ZINC000169711494 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc([C@@H]5CCNC[C@H]5F)cc4)c3)c(OC)cc21 ZINC000169711495 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc([C@H]5CCNC[C@H]5F)cc4)c3)c(OC)cc21 ZINC000169711496 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5(F)CCNCC5)cc4)c3)c(OC)cc21 ZINC000169711497 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OCCOC)cc21 ZINC000169711510 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CCO)CC3)cc2)c1 ZINC000169711515 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC[C@H]3CO)cc2)c1 ZINC000169711520 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)c1 ZINC000169711521 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(C)C3)cc2)c1 ZINC000169711523 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5C[C@H](C)N[C@H](C)C5)s4)c3)c(OC)cc21 ZINC000169711527 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(OC5CCN(C[C@H](C)O)CC5)cc4)c3)c(OC)cc21 ZINC000169711531 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4cnn(C5CCN(C(C)C)CC5)c4)c3)c(OC)cc21 ZINC000169711535 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@@H](C)O)CC5)cc4)c3)c(OC)cc21 ZINC000169711540 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(OC5CCN(C[C@@H](C)O)CC5)cc4)c3)c(OC)cc21 ZINC000169711543 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CC[C@H](O)C5)cc4)c3)c(OCCCF)cc21 ZINC000169711563 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CC[C@@H](O)C5)cc4)c3)c(OCCCF)cc21 ZINC000169711564 KJ Annotated Anodyne CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCOC)ccn3)cn2)CC1 ZINC000169711570 KJ Annotated Anodyne CCN1CC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCOC)ccn3)cc2)C1 ZINC000169711581 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@@H](C)O)CC5)cc4)c3)c(OCCOC)cc21 ZINC000169711582 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@H](C)O)CC5)cc4)c3)c(OCCOC)cc21 ZINC000169711583 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CC(C)(C)O)C3)cc2)c1 ZINC000169711587 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC[C@@H]3CO)cc2)c1 ZINC000169711591 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC[C@@H]3CO)s2)c1 ZINC000169711597 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC[C@H]3CO)s2)c1 ZINC000169711598 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC(O)CC3)s2)c1 ZINC000169711599 KJ Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCN(CC)CC3)cc2)c1 ZINC000169711602 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC[C@@H]5CO)cc4)c3)c(OCCCOC)cc21 ZINC000169711606 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC[C@H]5CO)cc4)c3)c(OCCCOC)cc21 ZINC000169711607 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711612 KJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711618 KJ Annotated Anodyne [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCC(NC5CC(F)(F)C5)CC4)c3Cl)nn12 ZINC000169711901 KJ Annotated Mild N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(N(CC3CC3)CC3CC3)CC2)c1 ZINC000169711909 KJ Annotated Mild N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(CCC(F)(F)F)CC2)c1 ZINC000169711927 KJ Annotated Mild N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C(F)F)cc(N4CCC(C5COC5)CC4)c3Cl)nn12 ZINC000169711941 KJ Annotated Mild C=CC(=O)OC1=C(C(=O)c2cccnc2)[C@@H](c2ccc(C(=O)OC)cc2)N(CCc2c(C)[nH]c3ccccc23)C1=O ZINC000169712358 KJ Annotated Mild C=CC(=O)OC1=C(C(=O)c2cccnc2)[C@H](c2ccc(C(=O)OC)cc2)N(CCc2c(C)[nH]c3ccccc23)C1=O ZINC000169712359 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169712442 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H]3OC ZINC000169712443 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC/C=C/c3cnc4ccccc4c3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169713100 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC/C=C/c3cnc4ccccc4c3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169713101 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC/C=C/c3cnc4ccccc4c3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169713102 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC/C=C/c3cnc4ccccc4c3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169713103 KJ Annotated Mild CCOC(=O)[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C\N(CCCCc4ccccc4)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O ZINC000169714619 KJ Annotated Mild CCOC(=O)[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/N(CCCCc4ccccc4)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O ZINC000169714620 KJ Annotated Mild COc1cc(/C(=C2/C(=O)C(=O)c3ccccc3C2=O)c2c(O)c(O)c3ccccc3c2O)cc(Br)c1O ZINC000169714731 KJ Annotated Mild CCOc1ccc(/C(=C2/C(=O)C(=O)c3ccccc3C2=O)c2c(O)c(O)c3ccccc3c2O)cc1OC ZINC000169714733 KJ Annotated Mild Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c(O)c12 ZINC000169715508 KJ Annotated Clean in-vitro Cc1c(/C=C/C(=O)NCCCNCCCNC(=O)/C=C/c2c(C)c(O)c3ccccc3c2O)c(O)c2ccccc2c1O ZINC000169716683 KJ Annotated Anodyne Cc1c(/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c2c(C)c(O)c3cccc(O)c3c2O)c(O)c2c(O)cccc2c1O ZINC000169716713 KJ Annotated Anodyne Cc1c(/C=C/CC(=O)NCCCNCCCNC(=O)C/C=C/c2c(C)c(O)c3cccc(O)c3c2O)c(O)c2c(O)cccc2c1O ZINC000169716737 KJ Annotated Anodyne COc1cc([C@@H](c2c(O)c(O)c3ccccc3c2O)[C@@H]2C(=O)C(=O)c3ccccc3C2=O)cc(Br)c1O ZINC000169717971 KJ Annotated Clean COc1cc([C@H](c2c(O)c(O)c3ccccc3c2O)[C@@H]2C(=O)C(=O)c3ccccc3C2=O)cc(Br)c1O ZINC000169717972 KJ Annotated Clean COc1cc([C@@H](c2c(O)c(O)c3ccccc3c2O)[C@H]2C(=O)C(=O)c3ccccc3C2=O)cc(Br)c1O ZINC000169717973 KJ Annotated Clean COc1cc([C@H](c2c(O)c(O)c3ccccc3c2O)[C@H]2C(=O)C(=O)c3ccccc3C2=O)cc(Br)c1O ZINC000169717974 KJ Annotated Clean O=C(CC(=O)c1cccc(Cc2ccccc2F)c1)C(=O)NCCCNC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 ZINC000169718137 KJ Annotated Anodyne NCCCOc1c(Br)cc(Br)cc1C[C@@H](N=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000169719374 KJ Annotated Anodyne NCCCOc1c(Br)cc(Br)cc1C[C@H](N=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000169719375 KJ Annotated Anodyne CC1=NC(=O)N[C@@H](c2ccc(OCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)[C@@H]1C(=O)O ZINC000169720046 KJ Annotated Anodyne CC1=NC(=O)N[C@H](c2ccc(OCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)[C@@H]1C(=O)O ZINC000169720047 KJ Annotated Anodyne CC1=NC(=O)N[C@@H](c2ccc(OCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)[C@H]1C(=O)O ZINC000169720048 KJ Annotated Anodyne CC1=NC(=O)N[C@H](c2ccc(OCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)[C@H]1C(=O)O ZINC000169720049 KJ Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721688 KJ Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721689 KJ Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721690 KJ Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721691 KJ Annotated Anodyne CC1=NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N[C@@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723138 KJ Annotated Clean CC1=NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N[C@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723139 KJ Annotated Clean CC1=NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N[C@@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723140 KJ Annotated Clean CC1=NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N[C@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723141 KJ Annotated Clean CC1=NC(NN2C(=O)/C(=C\c3cccs3)SC2=S)=N[C@@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723158 KJ Annotated Clean CC1=NC(NN2C(=O)/C(=C\c3cccs3)SC2=S)=N[C@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723159 KJ Annotated Clean CC1=NC(NN2C(=O)/C(=C\c3cccs3)SC2=S)=N[C@@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723160 KJ Annotated Clean CC1=NC(NN2C(=O)/C(=C\c3cccs3)SC2=S)=N[C@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723162 KJ Annotated Clean CC1=NC(NN2C(=O)/C(=C\c3ccccc3)SC2=S)=N[C@@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723163 KJ Annotated Clean CC1=NC(NN2C(=O)/C(=C\c3ccccc3)SC2=S)=N[C@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723164 KJ Annotated Clean CC1=NC(NN2C(=O)/C(=C\c3ccccc3)SC2=S)=N[C@@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723165 KJ Annotated Clean CC1=NC(NN2C(=O)/C(=C\c3ccccc3)SC2=S)=N[C@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169723166 KJ Annotated Clean Oc1c(I)cc(I)cc1C/N=N\c1nc(NCc2ccccc2)nc(N2CCOCC2)n1 ZINC000169723739 KJ Annotated Clean C=c1c(-c2c(O)c3cc(O)c(O)/c(=C\Cc4ccc(C)cc4)c3c(O)c2=C)c(O)c2cc(O)c(O)/c(=C\Cc3ccc(C)cc3)c2c1O ZINC000169724230 KJ Annotated Clean C=c1c(-c2c(O)c3cc(O)c(O)/c(=C\CCc4ccccc4)c3c(O)c2=C)c(O)c2cc(O)c(O)/c(=C\CCc3ccccc3)c2c1O ZINC000169724235 KJ Annotated Clean COC(=O)[C@@H]1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CCO[C@H]5CCN5CC[C@@]7(c8cccc(OC)c8N(C2)[C@@H]47)[C@@H]56)CN2CC[C@]4(C1=Nc1ccccc14)[C@@H]23 ZINC000169724857 KJ Annotated Anodyne COC(=O)[C@H]1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CCO[C@H]5CCN5CC[C@@]7(c8cccc(OC)c8N(C2)[C@@H]47)[C@@H]56)CN2CC[C@]4(C1=Nc1ccccc14)[C@@H]23 ZINC000169724858 KJ Annotated Anodyne COCC1=Nc2cc(C(F)(F)F)nn2[C@H](c2cc3ccccc3n2C)[C@@H]1C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000169727848 KJ Annotated Anodyne COCC1=Nc2cc(C(F)(F)F)nn2[C@H](c2cc3ccccc3n2C)[C@H]1C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000169727849 KJ Annotated Anodyne COc1ccc(C[C@@H](N=O)C(=O)NCCSSCCNC(=O)[C@@H](Cc2ccc(OC)c(Br)c2)N=O)cc1Br ZINC000169727944 KJ Annotated Reactive COc1ccc(C[C@H](N=O)C(=O)NCCSSCCNC(=O)[C@@H](Cc2ccc(OC)c(Br)c2)N=O)cc1Br ZINC000169727945 KJ Annotated Reactive COc1ccc(C[C@H](N=O)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccc(OC)c(Br)c2)N=O)cc1Br ZINC000169727946 KJ Annotated Reactive Cc1cc(O)n(-c2ccccc2C(=O)O[C@@H]2CN(CCCc3ccccc3)[C@@H]3C[C@@H]2[C@@H]2OC(C)(C)O[C@H]23)c1O ZINC000169729221 KJ Annotated Anodyne Cc1cc(O)n(-c2ccccc2C(=O)O[C@H]2CN(CCCc3ccccc3)[C@@H]3C[C@@H]2[C@@H]2OC(C)(C)O[C@H]23)c1O ZINC000169729222 KJ Annotated Anodyne COc1ccc(C(=O)CNc2cc(O)c3c(CCNC(=O)OC(C)(C)C)cn(S(=O)(=O)c4ccc(C)cc4)c3c2O)cc1 ZINC000169729561 KJ Annotated Anodyne COc1ccc(C(=O)CNc2cc(O)c3c(c(CCNC(=O)OC(C)(C)C)cn3S(=O)(=O)c3ccc(C)cc3)c2O)cc1 ZINC000169729562 KJ Annotated Anodyne COc1cc(CCC(=O)[C@@H]2C(CCc3ccc(O)c(OC)c3)=NC(=O)N[C@@H]2c2ccccc2)ccc1O ZINC000169729741 KJ Annotated Anodyne COc1cc(CCC(=O)[C@H]2C(CCc3ccc(O)c(OC)c3)=NC(=O)N[C@@H]2c2ccccc2)ccc1O ZINC000169729742 KJ Annotated Anodyne COc1cc(CCC(=O)[C@@H]2C(CCc3ccc(O)c(OC)c3)=NC(=O)N[C@H]2c2ccccc2)ccc1O ZINC000169729743 KJ Annotated Anodyne COc1cc(CCC(=O)[C@H]2C(CCc3ccc(O)c(OC)c3)=NC(=O)N[C@H]2c2ccccc2)ccc1O ZINC000169729744 KJ Annotated Anodyne COc1ccc([C@@H]2NC(=O)N=C(CCc3ccc(O)c(OC)c3)[C@@H]2C(=O)CCc2ccc(O)c(OC)c2)cc1 ZINC000169729753 KJ Annotated Anodyne COc1ccc([C@H]2NC(=O)N=C(CCc3ccc(O)c(OC)c3)[C@@H]2C(=O)CCc2ccc(O)c(OC)c2)cc1 ZINC000169729754 KJ Annotated Anodyne COc1ccc([C@@H]2NC(=O)N=C(CCc3ccc(O)c(OC)c3)[C@H]2C(=O)CCc2ccc(O)c(OC)c2)cc1 ZINC000169729755 KJ Annotated Anodyne COc1ccc([C@H]2NC(=O)N=C(CCc3ccc(O)c(OC)c3)[C@H]2C(=O)CCc2ccc(O)c(OC)c2)cc1 ZINC000169729756 KJ Annotated Anodyne COc1ccc([C@@H]2NC(=O)N=C(CCc3ccc(O)c(OC)c3)[C@@H]2C(=O)CCc2ccc(O)cc2)cc1 ZINC000169729761 KJ Annotated Anodyne COc1ccc([C@H]2NC(=O)N=C(CCc3ccc(O)c(OC)c3)[C@@H]2C(=O)CCc2ccc(O)cc2)cc1 ZINC000169729762 KJ Annotated Anodyne COc1ccc([C@@H]2NC(=O)N=C(CCc3ccc(O)c(OC)c3)[C@H]2C(=O)CCc2ccc(O)cc2)cc1 ZINC000169729763 KJ Annotated Anodyne COc1ccc([C@H]2NC(=O)N=C(CCc3ccc(O)c(OC)c3)[C@H]2C(=O)CCc2ccc(O)cc2)cc1 ZINC000169729764 KJ Annotated Anodyne COc1ccc([C@@H]2NC(=O)N=C(CCc3ccc(O)cc3)[C@@H]2C(=O)CCc2ccc(O)c(OC)c2)cc1 ZINC000169729765 KJ Annotated Anodyne COc1ccc([C@H]2NC(=O)N=C(CCc3ccc(O)cc3)[C@@H]2C(=O)CCc2ccc(O)c(OC)c2)cc1 ZINC000169729766 KJ Annotated Anodyne COc1ccc([C@@H]2NC(=O)N=C(CCc3ccc(O)cc3)[C@H]2C(=O)CCc2ccc(O)c(OC)c2)cc1 ZINC000169729767 KJ Annotated Anodyne COc1ccc([C@H]2NC(=O)N=C(CCc3ccc(O)cc3)[C@H]2C(=O)CCc2ccc(O)c(OC)c2)cc1 ZINC000169729768 KJ Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Cl)cc3)CN(CCN3CCOCC3)C[C@@H]2[C@@H](c2ccc(Cl)cc2)N1 ZINC000169730294 KJ Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Cl)cc3)CN(CCN3CCOCC3)C[C@H]2[C@@H](c2ccc(Cl)cc2)N1 ZINC000169730295 KJ Annotated Anodyne S=C1N=C2/C(=C/c3ccccc3Cl)CN(CCN3CCOCC3)C[C@@H]2[C@@H](c2ccccc2Cl)N1 ZINC000169730304 KJ Annotated Anodyne S=C1N=C2/C(=C/c3ccccc3Cl)CN(CCN3CCOCC3)C[C@H]2[C@@H](c2ccccc2Cl)N1 ZINC000169730305 KJ Annotated Anodyne COc1c([C@@H]2C(C(=O)c3ccc(O)cc3)=C(C(=O)c3ccc(O)cc3)Cc3cc(O)c(O)c(OC)c32)ccc(O)c1O ZINC000169730450 KJ Annotated Mild C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(COC(=O)C=C(C)C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C ZINC000169732796 KJ Annotated Anodyne CC[C@@H]1C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169737298 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O/C=C\Cc3cnc4ccccc4c3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000169742409 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169742991 KJ Annotated Anodyne investigational CSc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000169768111 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000169768112 KJ Annotated Anodyne C[C@H](CO)Nc1nc(Nc2ccc([S@@](=O)(CC3CC3)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br ZINC000169918276 KJ Annotated Anodyne C[C@H](CO)Nc1nc(Nc2ccc([S@](=O)(CC3CC3)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br ZINC000169918279 KJ Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cn(S(=O)(=O)CC[Si](C)(C)C)c3ccccc23)C(=O)Nc2ccccc21)NC(=O)OC(C)(C)C ZINC000169931153 KJ Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cn(S(=O)(=O)CC[Si](C)(C)C)c3ccccc23)C(=O)Nc2ccccc21)NC(=O)OC(C)(C)C ZINC000169931155 KJ Annotated Anodyne COC(=O)C[C@@H]([C@@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216261 KJ Annotated Anodyne COC(=O)C[C@H]([C@@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216264 KJ Annotated Anodyne COC(=O)C[C@@H]([C@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216267 KJ Annotated Anodyne COC(=O)C[C@H]([C@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216270 KJ Annotated Anodyne COC(=O)C[C@H]([C@H](C(=O)OCc1ccccc1)[C@@H](C)O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216276 KJ Annotated Anodyne COC(=O)C[C@H]([C@@H](C(=O)OCc1ccccc1)[C@@H](C)O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216282 KJ Annotated Anodyne O=C(N/[S@@](=N/S(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000017222072 KJ Annotated Anodyne COc1ccccc1NC(=S)N/N=C(\C)c1cccc(/C(C)=N/NC(=S)Nc2ccccc2OC)n1 ZINC000017253320 KJ Annotated Mild CCCCOP(=O)(OCCCC)[C@@](NS(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000017256330 KJ Annotated Anodyne COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000017285682 KJ Annotated Anodyne COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000017285687 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc(CNC(=O)OC(C)(C)C)o1 ZINC000017306955 KJ Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)c1nnc([C@H](CC(=O)OC(C)(C)C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000017306982 KJ Annotated Anodyne CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307048 KJ Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307051 KJ Annotated Anodyne CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307063 KJ Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307065 KJ Annotated Anodyne O=C(NCc1ccc(C(F)(F)F)cc1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000017307116 KJ Annotated Bother aggregator O=C(NCc1ccccc1C(F)(F)F)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000017307122 KJ Annotated Bother CCCCCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307173 KJ Annotated Anodyne CCCCCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307176 KJ Annotated Anodyne CC/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000017307239 KJ Annotated Anodyne CC/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000017307244 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307314 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307317 KJ Annotated Anodyne C/C=C\C=C\C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307330 KJ Annotated Anodyne C/C=C\C=C\C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307335 KJ Annotated Anodyne C/C=C\C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307387 KJ Annotated Anodyne C/C=C\C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307390 KJ Annotated Anodyne C/C=C/C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307432 KJ Annotated Anodyne C/C=C/C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307435 KJ Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307438 KJ Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307442 KJ Annotated Anodyne CCOC(=O)c1ccc(N=C2S[C@H](C(=O)Nc3ccc(C(=O)O)cc3)CC(=O)N2Cc2cccs2)cc1 ZINC000017376360 KJ Annotated Anodyne Nc1c2cnnc-2nc(SCC(=O)c2ccc(Br)cc2)n1-c1ccc(Br)cc1 ZINC000017376615 KJ Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3Cc3ccc(O)cc3)N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000017376915 KJ Annotated Anodyne COc1cccc(CCN2C(=O)C(=O)N([C@@H](CNCc3ccccc3)Cc3ccccc3F)C[C@@H]2C(C)(C)C)c1 ZINC000017376918 KJ Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3Cc3ccc(O)cc3)N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1 ZINC000017376920 KJ Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3Cc3ccc(O)cc3)N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1 ZINC000017376927 KJ Annotated Anodyne Cc1ccc(C(=O)N[C@@H](C)CN2C3=NC[C@H](Cc4ccccc4)N3C[C@H]2Cc2ccc(O)cc2)cc1Br ZINC000017376937 KJ Annotated Anodyne Cc1ccc(C(=O)N[C@@H](C)CN2C3=NC[C@@H](Cc4ccccc4)N3C[C@H]2Cc2ccc(O)cc2)cc1Br ZINC000017376959 KJ Annotated Anodyne O=P(COCCOCCOCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017413955 KJ Annotated Reactive COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1O)[C@@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)[C@@H]2OC(C)=O ZINC000017434102 KJ Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=NC(=O)c1c(-c2ccccc2Cl)noc1C ZINC000017434205 KJ Annotated Anodyne CC[C@H](NC(=O)[C@@H]1CCc2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041915 KJ Annotated Mild CC[C@H](NC(=O)[C@@H]1CCc2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041920 KJ Annotated Mild CC[C@H](NC(=O)[C@@H]1CCc2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041923 KJ Annotated Mild CC[C@H](NC(=O)[C@@H]1CCc2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041928 KJ Annotated Mild Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2ccccc2)c1=O ZINC000170071014 KJ Annotated Reactive Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2ccccc2)c1=O ZINC000170071017 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2ccccc2)c1=O ZINC000170071020 KJ Annotated Reactive Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2ccccc2)c1=O ZINC000170071023 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2ccccc2)c1=O ZINC000170080124 KJ Annotated Reactive COC(=O)c1c(O)cccc1OCCOc1ccc2c(c1)c([C@@](O)(C(=O)O)C(F)(F)F)cn2COCC[Si](C)(C)C ZINC000170095540 KJ Annotated Anodyne COC(=O)c1c(O)cccc1OCCOc1ccc2c(c1)c([C@](O)(C(=O)O)C(F)(F)F)cn2COCC[Si](C)(C)C ZINC000170095542 KJ Annotated Anodyne COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccc3ccccc3c1)[C@@H](O)[C@H](CC(=O)O)N2C(=O)OCC[Si](C)(C)C ZINC000170105009 KJ Annotated Anodyne CC(C)C[C@@H](NC(=O)[C@@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@@H](CCCCCCCCC#N)C1CCCC1)B1OC(C)(C)C(C)(C)O1 ZINC000170115058 KJ Annotated Mild CC(C)C[C@H](NC(=O)[C@@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@@H](CCCCCCCCC#N)C1CCCC1)B1OC(C)(C)C(C)(C)O1 ZINC000170115061 KJ Annotated Mild CC(C)C[C@@H](NC(=O)[C@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@@H](CCCCCCCCC#N)C1CCCC1)B1OC(C)(C)C(C)(C)O1 ZINC000170115063 KJ Annotated Mild CC(C)C[C@H](NC(=O)[C@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@@H](CCCCCCCCC#N)C1CCCC1)B1OC(C)(C)C(C)(C)O1 ZINC000170115066 KJ Annotated Mild CC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CNC(=O)c2ccccc2)c2ccc3c(c2)OCO3)O1 ZINC000170121653 KJ Annotated Reactive Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000170171188 KJ Annotated Reactive Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000170171190 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000170171193 KJ Annotated Reactive Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000170171196 KJ Annotated Reactive Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000170171211 KJ Annotated Reactive Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000170171214 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000170171217 KJ Annotated Reactive Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000170171219 KJ Annotated Reactive Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccsc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000170174690 KJ Annotated Reactive Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccsc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000170174692 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccsc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000170174694 KJ Annotated Reactive Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccsc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000170174697 KJ Annotated Reactive Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000170174708 KJ Annotated Reactive Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000170174711 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000170174713 KJ Annotated Reactive Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000170174716 KJ Annotated Reactive Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000170174734 KJ Annotated Reactive Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000170174737 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000170174740 KJ Annotated Reactive Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000170174742 KJ Annotated Reactive CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000017527416 KJ Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO ZINC000017527418 KJ Annotated Anodyne O=C(C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527426 KJ Annotated Anodyne O=C(C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527430 KJ Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017544711 KJ Annotated Anodyne O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544723 KJ Annotated Anodyne O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544750 KJ Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017544759 KJ Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000017544783 KJ Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000017544807 KJ Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000017544834 KJ Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000017544838 KJ Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000017544952 KJ Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545608 KJ Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545611 KJ Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000017545626 KJ Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000017545629 KJ Annotated Anodyne O=C(COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc(Br)cc1 ZINC000017574684 KJ Annotated Clean NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000017576983 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000017576987 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000017577020 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000017577024 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000017577064 KJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000017577069 KJ Annotated Bother NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000017577151 KJ Annotated Bother NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000017577157 KJ Annotated Bother COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000017577201 KJ Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000017577205 KJ Annotated Mild CCN(CC)CCCN1C=C2C(=O)[C@@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000017596093 KJ Annotated Mild CCN(CC)CCCN1C=C2C(=O)[C@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000017596094 KJ Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(CCc3ccccn3)C=C2C1=O ZINC000017596113 KJ Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(CCc3ccccn3)C=C2C1=O ZINC000017596115 KJ Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@H]4c4ccc(C#CCOC)cc4)C(=O)N32)cc1 ZINC000017611441 KJ Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@H]4c4ccc(C#CCOC)cc4)C(=O)N32)cc1 ZINC000017611447 KJ Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(C#CCOC)cc4)C(=O)N32)cc1 ZINC000017611450 KJ Annotated Mild CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N\CC3CC3)OC(=O)N2C1=O ZINC000017654026 KJ Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CC3CC3)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000017654032 KJ Annotated Mild COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2O/C(O)=N/S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017654151 KJ Annotated Mild COc1ccc2c(c1)C(=O)[C@H](O/C(O)=N/S(=O)(=O)c1ccc(F)cc1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000017654153 KJ Annotated Mild COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c1 ZINC000017654155 KJ Annotated Mild COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O/C(O)=N/S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017654159 KJ Annotated Mild COc1ccc2c(c1)C(=O)[C@H](O/C(O)=N/S(=O)(=O)c1ccc(C)cc1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000017654161 KJ Annotated Mild COc1ccc2c(c1)C(=O)[C@@H](O/C(O)=N/S(=O)(=O)c1ccc(F)cc1)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000017654165 KJ Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C2=CN(c3ccc(OC)cc3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000017654280 KJ Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C2=CN(c3ccc(OC)cc3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000017654282 KJ Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000017654294 KJ Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000017654297 KJ Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C2=CN(Cc3ccc(OC)cc3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000017654314 KJ Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C2=CN(Cc3ccc(OC)cc3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000017654317 KJ Annotated Mild CCOC(=O)C1=C[C@@H](C(=O)OCC)[C@@H]2C3=C(C(=O)C2(C)C)[C@H](c2ccccc2)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]2[C@@H]3C1 ZINC000017654757 KJ Annotated Mild C=CCCN([C@H](Cc1ccccc1)C(=O)OC)S(=O)(=O)c1cc(Br)ccc1Br ZINC000017655140 KJ Annotated Mild C=CCCN([C@@H](Cc1ccccc1)C(=O)OC)S(=O)(=O)c1cc(Br)ccc1Br ZINC000017655143 KJ Annotated Mild O=C1C(C2=N[C@@H](c3ccccn3)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000017746324 KJ Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@H](C)[C@@H]4c4ccc(C#CCOC)cc4)C(=O)N32)cc1 ZINC000017917146 KJ Annotated Mild COc1ccc([C@H]2C=CCN(S(=O)(=O)c3cccc4cccnc34)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018062293 KJ Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018068513 KJ Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018068588 KJ Annotated Anodyne CC(C)=CCc1cccc2c1N[C@@H]1N3C(=O)C4=Cc5c([nH]c6ccccc56)C(C)(C)C=CN4C(=O)[C@@H]3C[C@]21O ZINC000018098202 KJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3cccc4cccnc34)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018128661 KJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018151822 KJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O ZINC000018182440 KJ Annotated Anodyne in-man Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O ZINC000018203085 KJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018208195 KJ Annotated Anodyne C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369833 KJ Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCc4ccccn4)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194867929 KJ Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCc4ccccn4)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194867946 KJ Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCc4ccccn4)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194867961 KJ Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCc4ccccn4)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194867976 KJ 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(CC=C(F)F)[C@H](C)CO2)[C@]13C(=O)O ZINC000194952969 KJ Annotated Mild C=C(Cl)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 ZINC000194957474 KJ Annotated Mild COC(=O)c1ccccc1NC(=O)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195006017 KJ Annotated Reactive Cc1c(O)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195007411 KJ Annotated Anodyne Cc1c(O)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195007430 KJ Annotated Anodyne CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](NC(=O)Nc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N ZINC000195008422 KJ Annotated Reactive C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCCBr)([C@@H]1CSC(=O)N1)C2 ZINC000195080027 KJ Annotated Reactive C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCCBr)([C@@H]1CSC(=O)N1)C2 ZINC000195080048 KJ Annotated Reactive C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000195080315 KJ Annotated Reactive C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000195080336 KJ Annotated Reactive O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000195090030 KJ Annotated Anodyne Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(C(N)=C(c4ccccc4)S(=O)(=O)N3C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000195096562 KJ Annotated Reactive CO[C@H]1/C=C\C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000195101828 KJ Annotated Mild CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000195101843 KJ Annotated Mild CO[C@H]1/C=C/C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000195101858 KJ Annotated Mild CO[C@H]1/C=C/C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000195101874 KJ Annotated Mild CCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(NS(=O)(=O)C(c4ccccc4)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O ZINC000195103797 KJ Annotated Reactive CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)[C@@H](O)C(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000195117495 KJ Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)[C@@H](O)C(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000195117513 KJ Annotated Mild CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CC[C@@H](CO)C(=O)N12)(c1ccccc1)c1ccccc1 ZINC000195141738 KJ Annotated Reactive CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CC[C@H](CO)C(=O)N12)(c1ccccc1)c1ccccc1 ZINC000195141748 KJ Annotated Reactive O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C=C([C@](O)(c3ccccc3)c3ccccn3)[C@H]2C1=C(c1ccccc1)c1ccccc1 ZINC000195143570 KJ Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C([C@](O)(c3ccccc3)c3ccccn3)=C[C@H]2C1=C(c1ccccc1)c1ccccc1 ZINC000195155930 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195156364 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195156374 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195156384 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195156397 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195156407 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195156423 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195156440 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195163316 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195163326 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195163338 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195163347 KJ Annotated Reactive CC(C)(C)OC(=O)N1[C@H]2C3[C@@H](c4ccccc4)C4(CO)[C@H]1C1[C@H](c5ccccc5)C2(CO)[C@@H]3N(C(=O)OC(C)(C)C)[C@H]14 ZINC000195163761 KJ Annotated Anodyne C=C(Br)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 ZINC000195172484 KJ Annotated Mild CO[C@]12OO[C@@](C)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C1C(=O)C(C)(C)C(=O)C2(C)C ZINC000195173444 KJ Annotated Reactive Cc1cc2c(c3oc(=O)cc(O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195188289 KJ Annotated Anodyne Cc1cc2c(c3oc(=O)cc(O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195188297 KJ Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@@H]2CC(=O)SS2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195197579 KJ Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H]2CC(=O)SS2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195197587 KJ Annotated Reactive COC(=O)C1=CC[C@H]2CCC[C@]3(CCC[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N2C1=O ZINC000195200730 KJ Annotated Reactive CCCCO[C@]1(C)CCN2C[C@@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]21C(=O)N4C ZINC000195202058 KJ Annotated Anodyne CC(=O)NCCCC[C@@H]1N[C@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000195210240 KJ Annotated Anodyne CC(=O)NCCCC[C@H]1N[C@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 ZINC000195210253 KJ Annotated Anodyne CC(=O)NCCCC[C@@H]1N[C@@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000195210266 KJ Annotated Anodyne CC(=O)NCCCC[C@H]1N[C@@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 ZINC000195210279 KJ Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000195212648 KJ Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000195212657 KJ Annotated Anodyne COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@@H]2O[SiH2]C(C)(C)C)c1 ZINC000195218720 KJ Annotated Reactive COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2O[SiH2]C(C)(C)C)c1 ZINC000195218732 KJ Annotated Reactive COCOc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@@H]2O[SiH2]C(C)(C)C)ccc1OC ZINC000195223593 KJ Annotated Reactive COCOc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2O[SiH2]C(C)(C)C)ccc1OC ZINC000195223605 KJ Annotated Reactive O=C1c2c(O)ccc(O)c2C(=O)c2c(NCC[N+]3([O-])CCCC[C@H]3CCl)ccc(NCC[N+]3([O-])CCCC[C@H]3CCl)c21 ZINC000195223693 KJ Annotated Reactive COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@@H]2O[SiH2]C(C)(C)C)cc1OC ZINC000195228750 KJ Annotated Reactive COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2O[SiH2]C(C)(C)C)cc1OC ZINC000195228763 KJ Annotated Reactive COc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195247623 KJ Annotated Anodyne COc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195247636 KJ Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCCc4ccccn4)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000195249052 KJ Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCCc4ccccn4)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000195249062 KJ Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCCc4ccccn4)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195249071 KJ Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCCc4ccccn4)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195249081 KJ Annotated Anodyne O=C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000195251276 KJ Annotated Reactive CO[C@]12OO[C@](C)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C1C(=O)C(C)(C)C(=O)C2(C)C ZINC000195254292 KJ Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@H](CO[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]2O)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195255839 KJ Annotated Reactive CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000195258853 KJ Annotated Bother CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000195258869 KJ Annotated Bother CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000195258880 KJ Annotated Bother C=C(Cl)CON1C[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 ZINC000195265664 KJ Annotated Mild CC(C)[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCN[C@H](C(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195272887 KJ Annotated Reactive CC(C)[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCN[C@H](C(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195272901 KJ Annotated Reactive CC(C)[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCN[C@H](C(=O)OC(C)(C)C)[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195272915 KJ Annotated Reactive CC(C)[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCN[C@H](C(=O)OC(C)(C)C)[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195272927 KJ Annotated Reactive COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000195279983 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000195279995 KJ Annotated Anodyne CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195288052 KJ Annotated Anodyne CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195288062 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000195305153 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000195305162 KJ Annotated Anodyne CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)O[Si](C)(C)C)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000195322021 KJ Annotated Reactive CN1C(=O)[C@]23C[C@@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)O[Si](C)(C)C)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000195322036 KJ Annotated Reactive CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)O[Si](C)(C)C)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000195322044 KJ Annotated Reactive CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)O[Si](C)(C)C)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000195322053 KJ Annotated Reactive C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000195337568 KJ Annotated Mild C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000195337578 KJ Annotated Mild CC(=O)OC[C@@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@]12CC[C@](C)(C[C@@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000195340329 KJ Annotated Anodyne CC(=O)OC[C@@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@]12CC[C@@](C)(C[C@@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000195340343 KJ Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(CCC(=O)O)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000195359176 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000195359382 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000195359386 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000195360196 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000195360202 KJ Annotated Anodyne CO[C@H]1/C=C\C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000195373370 KJ Annotated Mild CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000195373378 KJ Annotated Mild CO[C@H]1/C=C/C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000195373384 KJ Annotated Mild CO[C@H]1/C=C/C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000195373393 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@H]1C[C@@H](CC#N)O[C@H](CCC[C@H]2O[C@H](C(=O)OC(C)C)CC[C@H]2C)C1)c1ccccc1 ZINC000195375657 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@H]1C[C@@H](CC#N)O[C@H](CCC[C@H]2O[C@@H](C(=O)OC(C)C)CC[C@H]2C)C1)c1ccccc1 ZINC000195375663 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@H]1C[C@@H](CC#N)O[C@H](CCC[C@H]2O[C@H](C(=O)OC(C)C)CC[C@@H]2C)C1)c1ccccc1 ZINC000195375670 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@H]1C[C@@H](CC#N)O[C@H](CCC[C@H]2O[C@@H](C(=O)OC(C)C)CC[C@@H]2C)C1)c1ccccc1 ZINC000195375677 KJ Annotated Mild CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](NC(=O)Nc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N ZINC000195377227 KJ Annotated Reactive COC(=O)c1ccccc1NC(=O)N[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195377254 KJ Annotated Reactive CC(=O)Oc1ccc(/C=C/C(=O)C[C@H]2O[C@@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000195395692 KJ Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)C[C@H]2O[C@@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000195395699 KJ Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)C[C@@H]2O[C@@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000195395709 KJ Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)C[C@@H]2O[C@@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000195395716 KJ Annotated Mild O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195401649 KJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195401656 KJ Annotated Anodyne CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#Cc3nccn3COCC[Si](C)(C)C)CC[C@@H]12 ZINC000195402312 KJ Annotated Reactive O=C(C[C@H]1C/C=C/CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@@H](CO)Cc1ccccc1 ZINC000195402550 KJ Annotated Anodyne O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000195404735 KJ Annotated Anodyne C#CCN1C=CC(=O)[C@H](OC(=O)Nc2ccccc2Br)[C@H]1c1ccccc1Br ZINC000195406957 KJ Annotated Mild CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C#N)cc1)O2 ZINC000195409940 KJ Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)O3 ZINC000195422435 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H](C)O3 ZINC000195422445 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H](C)O3 ZINC000195422453 KJ Annotated Anodyne COc1ccc(C(=O)OC[C@@H]2O[C@H](n3cnc4c(=S)nc[nH]c43)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000195423046 KJ Annotated Anodyne COc1ccc(C(=O)OC[C@H]2O[C@H](n3cnc4c(=S)nc[nH]c43)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000195423052 KJ Annotated Anodyne CC(C)(C)[Si](C)(C)OCCCC[C@@H]1C[C@@]2(S(=O)(=O)C3=CC=C=C=C3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195426736 KJ Annotated Reactive CC(C)(C)[Si](C)(C)OCCCC[C@H]1C[C@@]2(S(=O)(=O)C3=CC=C=C=C3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195426742 KJ Annotated Reactive CC(C)(C)[Si](C)(C)OCCCC[C@@H]1C[C@]2(S(=O)(=O)C3=CC=C=C=C3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195426749 KJ Annotated Reactive CC(C)(C)[Si](C)(C)OCCCC[C@H]1C[C@]2(S(=O)(=O)C3=CC=C=C=C3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195426755 KJ Annotated Reactive COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N4c5c(cc(OC)cc53)C(C)=CC4(C)C)[C@H]2C)cc1 ZINC000195428766 KJ Annotated Anodyne COc1cc(/C=C/C(=O)OCCCN(C)CCCOC(=O)CCN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc(OC)c1OC ZINC000195437303 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@H](C(=O)OC)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C3=N1 ZINC000195447495 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@]23C[C@@H](C(=O)OC)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C3=N1 ZINC000195447502 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@]23C[C@H](C(=O)OC)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C3=N1 ZINC000195447509 KJ Annotated Anodyne O=C(N[C@H]1c2ccccc2OC/C=C\COc2cccc3c2[C@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000195447826 KJ Annotated Anodyne CO[C@@H]1C[C@H](C)CC2=C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](OC)[C@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H]1O)C2=O ZINC000195453153 KJ Annotated Mild CO[C@@H]1C[C@H](C)CC2=C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@@H](OC)[C@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H]1O)C2=O ZINC000195453160 KJ Annotated Mild CO[C@@H]1C[C@H](C)CC2=C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@@H](OC)[C@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H]1O)C2=O ZINC000195453165 KJ Annotated Mild CO[C@@H]1C[C@H](C)CC2=C(NCCCCCCOc3ccc4c(=O)cc(N5CCOCC5)oc4c3)C(=O)C=C(NC(=O)/C(C)=C/C=C/[C@@H](OC)[C@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H]1O)C2=O ZINC000195453173 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195455607 KJ Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195455613 KJ Annotated Mild COc1ccc(C[C@@H]2NC(=O)/C=C\C[C@@H]([C@@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)[C@@H](C)CNC2=O)cc1Cl ZINC000195457055 KJ Annotated Anodyne COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H]([C@@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)[C@@H](C)CNC2=O)cc1Cl ZINC000195457062 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)[C@@H](C)CNC2=O)cc1Cl ZINC000195457068 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)[C@@H](C)CNC2=O)cc1Cl ZINC000195457073 KJ Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](O)[C@@H](C)O2)cc([C@@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000195459081 KJ Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000195459088 KJ Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000195459093 KJ Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](O)[C@@H](C)O2)cc([C@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000195459098 KJ Annotated Clean O=C(OCc1cn([C@H]2CN(Cc3cccs3)[C@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195465172 KJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195465177 KJ Annotated Anodyne COc1ccc([C@@H]2C=C(c3ccc(C)cc3)N(c3ccc(OC)cc3[N+](=O)[O-])[C@@H]3C(=O)OC(=O)[C@@H]32)c(OC)c1 ZINC000195469943 KJ Annotated Reactive COc1ccc([C@H]2C=C(c3ccc(C)cc3)N(c3ccc(OC)cc3[N+](=O)[O-])[C@@H]3C(=O)OC(=O)[C@H]23)c(OC)c1 ZINC000195469948 KJ Annotated Reactive C[Si](C)(C)CCOCN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I ZINC000195470413 KJ Annotated Anodyne COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1O ZINC000195475595 KJ Annotated Mild COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1O ZINC000195475600 KJ Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000195477075 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000195477081 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000195477086 KJ Annotated Clean CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000195477640 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000195477644 KJ Annotated Mild COc1ccc([C@@H](CC(=O)c2ccc(O)cc2)[C@H](C(=O)c2ccc(O)cc2)[C@H](c2ccc(OC)cc2)C2C(=O)NC(=S)NC2=O)cc1 ZINC000195477931 KJ Annotated Anodyne COc1ccc([C@H](C2C(=O)NC(=S)NC2=O)[C@@H](C(=O)c2ccc(O)cc2)[C@@H](CC(=O)c2ccc(O)cc2)c2ccc(OC)cc2)cc1 ZINC000195477935 KJ Annotated Anodyne COc1ccc([C@@H](CC(=O)c2ccc(O)cc2)[C@@H](C(=O)c2ccc(O)cc2)[C@H](c2ccc(OC)cc2)C2C(=O)NC(=S)NC2=O)cc1 ZINC000195477941 KJ Annotated Anodyne COc1ccc([C@H](C2C(=O)NC(=S)NC2=O)[C@H](C(=O)c2ccc(O)cc2)[C@@H](CC(=O)c2ccc(O)cc2)c2ccc(OC)cc2)cc1 ZINC000195477944 KJ Annotated Anodyne FC(F)(F)C1(C(F)(F)F)O[SiH-]2(OC(C(F)(F)F)(C(F)(F)F)c3ccccc32)c2ccccc21 ZINC000195478065 KJ Annotated Reactive CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000195478855 KJ Annotated Anodyne CC[C@@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000195478859 KJ Annotated Anodyne Cc1ccc2nc3ccccc3c([C@@H]3[C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000195481064 KJ Annotated Bother Cc1ccc2nc3ccccc3c([C@H]3[C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000195481068 KJ Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000195481073 KJ Annotated Bother Cc1ccc2nc3ccccc3c([C@H]3[C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000195481079 KJ Annotated Bother O=C(OC[C@@H]1O[C@@H]2O[C@@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@@H]2[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000195481651 KJ Annotated Bother O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000195482711 KJ Annotated Anodyne COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000195482898 KJ Annotated Mild COc1ccc(-c2cc(-c3ccccc3)n([C@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000195482901 KJ Annotated Mild COc1ccc(-c2cc(-c3ccccc3)n([C@H]3OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000195482907 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(\C)CC/C=C(/C)CC2)[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000195482974 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(\C)CC/C=C(\C)CC2)[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000195482977 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195483515 KJ Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195483521 KJ Annotated Mild COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)ccc1O ZINC000195483830 KJ Annotated Mild COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n([C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)ccc1O ZINC000195483833 KJ Annotated Mild O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000195484910 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000195484915 KJ Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H](/C=C/C(C)C)[C@@H](O)[C@@H](O)[C@@H](OC)C(=O)N[C@@H]1CCCCN(C)C1=O ZINC000195487886 KJ Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@@H](O)[C@@H](O)[C@@H](OC)C(=O)N[C@@H]1CCCCN(C)C1=O ZINC000195487891 KJ Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H](/C=C/C(C)C)[C@H](O)[C@@H](O)[C@@H](OC)C(=O)N[C@@H]1CCCCN(C)C1=O ZINC000195487894 KJ Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@H](O)[C@@H](O)[C@@H](OC)C(=O)N[C@@H]1CCCCN(C)C1=O ZINC000195487898 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000195488173 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n([C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000195488176 KJ Annotated Mild COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@@H](/N=N\c3ccc(S(=O)(=O)c4ccc(/N=N/[C@H]5C(=O)N(C(=O)CC(=O)Nc6cccc(OC)c6)N=C5C)cc4)cc3)C2=O)c1 ZINC000195489108 KJ Annotated Clean COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@H](/N=N\c3ccc(S(=O)(=O)c4ccc(/N=N/[C@H]5C(=O)N(C(=O)CC(=O)Nc6cccc(OC)c6)N=C5C)cc4)cc3)C2=O)c1 ZINC000195489117 KJ Annotated Clean COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@H](/N=N/c3ccc(S(=O)(=O)c4ccc(/N=N\[C@H]5C(=O)N(C(=O)CC(=O)Nc6cccc(OC)c6)N=C5C)cc4)cc3)C2=O)c1 ZINC000195489122 KJ Annotated Clean COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@H](/N=N\c3ccc(S(=O)(=O)c4ccc(/N=N/[C@@H]5C(=O)N(C(=O)CC(=O)Nc6cccc(OC)c6)N=C5C)cc4)cc3)C2=O)c1 ZINC000195489128 KJ Annotated Clean C=CCOC(=O)N1c2ccc(O[Si](C)(C)C(C)(C)C)cc2[C@@]23O[C@]24[C@@H](C)CC(OC)(OC)[C@@]3(O)C#C/C=C\C#C[C@H]14 ZINC000195494463 KJ Annotated Reactive C=CCOC(=O)N1c2ccc(O[Si](C)(C)C(C)(C)C)cc2[C@@]23O[C@]24[C@@H](C)CC(OC)(OC)[C@@]3(O)C#C/C=C/C#C[C@H]14 ZINC000195494466 KJ Annotated Reactive O=C(Nc1ccccc1)O[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195496537 KJ Annotated Mild COC(=O)[C@@H]1C[C@@H]([C@@H](C[N+](=O)[O-])c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)N1C(=O)OC(C)(C)C ZINC000195498894 KJ Annotated Reactive COC(=O)[C@@H]1C[C@H]([C@@H](C[N+](=O)[O-])c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)N1C(=O)OC(C)(C)C ZINC000195498895 KJ Annotated Reactive COC(=O)[C@@H]1C[C@@H]([C@H](C[N+](=O)[O-])c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)N1C(=O)OC(C)(C)C ZINC000195498898 KJ Annotated Reactive COC(=O)[C@@H]1C[C@H]([C@H](C[N+](=O)[O-])c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)N1C(=O)OC(C)(C)C ZINC000195498900 KJ Annotated Reactive COc1cc(C(=O)[C@@H]2C[C@@]3(CC[C@@]2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC ZINC000195499090 KJ Annotated Anodyne COc1cc(C(=O)[C@H]2C[C@@]3(CC[C@@]2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC ZINC000195499093 KJ Annotated Anodyne COc1cc(C(=O)[C@@H]2C[C@]3(CC[C@@]2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC ZINC000195499095 KJ Annotated Anodyne COc1cc(C(=O)[C@H]2C[C@]3(CC[C@@]2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC ZINC000195499098 KJ Annotated Anodyne CCOC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1C ZINC000195500710 KJ Annotated Mild CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195504696 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195504699 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195517066 KJ Annotated Mild CC(=O)OC[C@H]1O[C@@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195517068 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195517070 KJ Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195517072 KJ Annotated Mild C[C@H]1C[C@@H](C)/C=C(/CO)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O1 ZINC000195518442 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[C@H](n6cc(C(=O)OC)nn6)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000195519108 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[C@@H](n6cc(C(=O)OC)nn6)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000195522268 KJ Annotated Anodyne C/C1=C\[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)[C@H]1O ZINC000195522900 KJ Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H]1O ZINC000195524227 KJ Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)[C@H]1O ZINC000195524228 KJ Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)OCc3ccccc3)[C@H]1[C@@H]1OC(C)(C)O[C@H]12 ZINC000195524464 KJ Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2CN(C(=O)OCc3ccccc3)[C@H]1[C@@H]1OC(C)(C)O[C@@H]21 ZINC000195524465 KJ Annotated Anodyne Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)/C(=C\C#N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000195525427 KJ Annotated Reactive Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)/C(=C\C#N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000195525429 KJ Annotated Reactive Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)/C(=C\C#N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000195525432 KJ Annotated Reactive CCOC(OCC)c1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)nn1 ZINC000195759169 KJ Annotated Reactive CCCCc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)nn1 ZINC000195759190 KJ Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(CCCCl)nn2)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N ZINC000195759193 KJ Annotated Reactive CCOC(OCC)c1cnnn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195759217 KJ Annotated Reactive CCCCc1cnnn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195759227 KJ Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2nncc2CCCCl)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N ZINC000195759229 KJ Annotated Reactive CC(C)(C)[Si](C)(C)OCCCC[C@@H]1C[C@@]2(S(=O)(=O)C3=CC=C=C=C3)ON1C[C@H]2S(=O)(=O)c1ccccc1 ZINC000195765540 KJ Annotated Reactive CC(C)(C)[Si](C)(C)OCCCC[C@H]1C[C@@]2(S(=O)(=O)C3=CC=C=C=C3)ON1C[C@H]2S(=O)(=O)c1ccccc1 ZINC000195765542 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000195769815 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000195769816 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000195771636 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccccc4)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000195771639 KJ Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(c4ccsc4)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000195771642 KJ Annotated Reactive Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)/C(=C\C#N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O ZINC000195772076 KJ Annotated Reactive C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000195825860 KJ Annotated Clean COc1cc(C(=O)[C@H](CO)c2cc(C[C@H]3COC(=O)[C@@H]3Cc3cc(OC)c4c(c3)[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)O4)cc(OC)c2O)ccc1O ZINC000195886487 KJ Annotated Anodyne CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@]45CC[N+]6(C)C/C(=C/CO)[C@H](C[C@@H]46)[C@@H]([C@@H]1O)[C@H]35)-c1[nH]c3cccc(OC)c3c1CC2 ZINC000195904513 KJ Annotated Clean CC[C@@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@H]1C(=O)c2c(cc3c(c2OC)OCO3)O[C@@](C(=O)OC)(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000195951216 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)C[C@H](O)C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000195960910 KJ Annotated Anodyne CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C ZINC000195985172 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000196079221 KJ Annotated Reactive O=C1O[C@@H]2Cc3c(O)cc(O)c(c3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@H]2c3c(O)cc(O)cc3O[C@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000196087100 KJ Annotated Clean COc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1OC)OC[C@@](C)(/C=C/c1c(O)cc(O)c2c(=O)c3cccc(O)c3n(C)c12)O4 ZINC000196097220 KJ Annotated Bother O=C(O[C@@H]1[C@@H](SCCO)c2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 ZINC000196123702 KJ Annotated Clean CC(=O)OC[C@@](O)([C@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@]12CC[C@](C)(C[C@@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000196432161 KJ Annotated Anodyne CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)O[Si](C)(C)C)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000196501964 KJ Annotated Reactive CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@@]3(C)O[Si](C)(C)C)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000196501978 KJ Annotated Reactive O=C(O[C@@H]1[C@@H](SCc2ccccc2)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 ZINC000196915899 KJ Annotated Clean COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(Cc4cccc(N5CCOC5=O)c4)c4ccccc43)[C@@H]2C)cc1 ZINC000197078745 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@@H]3CC[C@H](C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000197217876 KJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2Oc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000197256155 KJ Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1[C@@H]2C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@](C)(C2=O)[C@@H]([C@@H](O)C(=O)OC)C1(C)C ZINC000197293979 KJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c3c2Oc2c(cc(OC(C)=O)c(OC(C)=O)c2OC(C)=O)O3)c1 ZINC000197294803 KJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)c1 ZINC000197295143 KJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)c1 ZINC000197295153 KJ Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7n6)CC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000197909774 KJ Annotated Mild C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(O)c(OC)c2OC)C[C@H](C)[C@@]1(C)O ZINC000197918424 KJ Annotated Anodyne CCCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(OCc3ccccn3)ccc12 ZINC000197962931 KJ Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(OCc3ccccn3)ccc12 ZINC000197962939 KJ Annotated Anodyne CCCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(OCCc3ccccn3)ccc12 ZINC000197963057 KJ Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(OCCc3ccccn3)ccc12 ZINC000197963063 KJ Annotated Anodyne CCC[C@H](Cc1cc(O)c2c(c1Br)C(=O)c1c(Br)c(O)c(Br)c(OC)c1C2=O)OS(=O)(=O)O ZINC000198024909 KJ Annotated Clean CCC[C@H](Cc1cc2c(c(O)c1Br)C(=O)c1c(OC)c(Br)c(O)c(Br)c1C2=O)OS(=O)(=O)O ZINC000198024922 KJ Annotated Clean COc1c(Br)c(O)c(Br)c2c1C(=O)c1c(O)c(Br)c(C[C@H](C)OS(=O)(=O)O)c(Br)c1C2=O ZINC000198024928 KJ Annotated Clean Cc1cc(O)cc(O)c1C(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O ZINC000198204947 KJ Annotated Anodyne in-vitro COc1c(Br)cc(Br)c(/C=C\N(C)C(=O)[C@@H]2CCCN2C)c1Br ZINC000198284649 KJ Annotated Anodyne COC(=O)CCC[C@@H](O)/C(Br)=C/C=C/[C@@H](O)CC/C=C(Br)/C=C\Br ZINC000198356513 KJ Annotated Anodyne COC(=O)CCC[C@H](O)/C(Br)=C/C=C/[C@H](O)CC/C=C(Br)/C=C\Br ZINC000198356527 KJ Annotated Anodyne COC(=O)CCC[C@@H](O)/C(Br)=C/C=C/[C@H](O)CC/C=C(Br)/C=C\Br ZINC000198356540 KJ Annotated Anodyne COC(=O)CCC[C@H](O)/C(Br)=C/C=C/[C@@H](O)CC/C=C(Br)/C=C\Br ZINC000198357284 KJ Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H](C)C3=C(C[C@H]12)[C@@]1(C)OC(=O)[C@@H](c2ccc(CO)c([C@H](C)CCCOC(C)=O)c2)C[C@H]1[C@H]3OC(C)=O ZINC000198407550 KJ Annotated Mild O=C(NCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1)c1ccccc1 ZINC000198470892 KJ Annotated Anodyne O=C(NCCOCCOCCNc1nc(Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc(Nc2ccc(O)c(C(=O)O)c2)n1)c1ccccc1 ZINC000198488745 KJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000198497901 KJ Annotated Anodyne COC(=O)CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1 ZINC000198499620 KJ Annotated Anodyne COc1ccc([C@@H]2C=CC[C@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccccc2F)cc1 ZINC000198822891 KJ Annotated Anodyne CC(=O)O[C@@H](C(=O)O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(CCC2=CC(=O)OC2)[C@@]1(C)O)C(C)C ZINC000198888957 KJ Annotated Anodyne CC(=O)[C@@H](C)CC[C@@]1(C(=O)O)C=C2C=C[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000198953182 KJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cccc(OC(F)(F)F)c3)cc1[C@]21N=C(N)N2CCON=C21 ZINC000199089580 KJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cccc(OC(F)(F)F)c3)cc1[C@@]21N=C(N)N2CCON=C21 ZINC000199089596 KJ Annotated Anodyne CC(C)[C@H]1OC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000199134369 KJ Annotated Anodyne CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CC1CCCCCC1 ZINC000199209983 KJ Annotated Anodyne COCc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000199269829 KJ Annotated Anodyne COCc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000199270442 KJ Annotated Anodyne COCc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000199270780 KJ Annotated Anodyne COCc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000199270813 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H]3C(=O)C[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3[C@H]2C(C)C)cc1 ZINC000199356268 KJ Annotated Anodyne CCOC1=C2[C@H](c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)[C@H](C(C)(C)C)[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000199356379 KJ Annotated Anodyne CCOC1=C2[C@H](c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)[C@@H](C(C)(C)C)[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000199356405 KJ Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000199356662 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(C5CCCCC5)C(=O)[C@H]4CC(=O)[C@H]3[C@@H]2c2ccccc2Cl)cc1 ZINC000199361302 KJ Annotated Anodyne C#CCN(C[C@@H]1[C@@H](OC(=O)Nc2cccs2)[C@@H](OC(=O)Nc2cccs2)C[C@H](C(=O)OC)[C@@H]1C(=O)OC)S(=O)(=O)c1ccc(C)cc1 ZINC000199363898 KJ Annotated Mild C[C@@H](CN1C2=NC[C@@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1)NC(=O)CCC1CCCCC1 ZINC000199366033 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C3=N1 ZINC000199420393 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C3=N1 ZINC000199420538 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2N(Cc3ccc(Br)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2cccs2)C3=N1 ZINC000199420626 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2N(Cc3ccc(Br)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2cccs2)C3=N1 ZINC000199420648 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2N(Cc3ccc(Br)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(F)cc2)C3=N1 ZINC000199420903 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2N(Cc3ccc(Br)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(F)cc2)C3=N1 ZINC000199420926 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2N(Cc3ccc(C(F)(F)F)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2cccs2)C3=N1 ZINC000199421105 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2N(Cc3ccc(C(F)(F)F)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2cccs2)C3=N1 ZINC000199421124 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2N(Cc3ccc(C(F)(F)F)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)cc2)C3=N1 ZINC000199421147 KJ Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2N(Cc3ccc(C(F)(F)F)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)cc2)C3=N1 ZINC000199421166 KJ Annotated Anodyne CN(C)CCCNC(=O)c1c(N)[nH]c(C(=O)c2ccc(Br)cc2)c1-c1ccc(Br)cc1 ZINC000199710847 KJ Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(F)cc4)c13)C(=O)N(CC(C)C)C2 ZINC000199732429 KJ Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccco1)C2 ZINC000199733089 KJ Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccco1)C2 ZINC000199733128 KJ Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccco1)C2 ZINC000199733194 KJ Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccco1)C2 ZINC000199733227 KJ Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733431 KJ Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733592 KJ Annotated Anodyne COc1ccc(C(=O)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6)cccc5c4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000199738405 KJ Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccccc1F ZINC000199738725 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6)cccc5c4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000199738819 KJ Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000199739112 KJ Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000199739136 KJ Annotated Anodyne Cc1ccccc1C(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccc6c(c5)OCO6)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199739301 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000199739808 KJ Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(-c4ccc5c(c4)OCO5)cc3[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000199740810 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742249 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742334 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742383 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742586 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742650 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742749 KJ Annotated Anodyne CCCCOCCCNC(=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 ZINC000199742771 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199742981 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743920 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743950 KJ 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(CCC2=CCCCC2)C1=O ZINC000199743981 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199744216 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744524 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744549 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744872 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744942 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000199745537 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199745768 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCN2CCCC2=O)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746227 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746348 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)OCC)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746385 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746510 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCN2CCCC2=O)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746959 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199747125 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)OCC)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199747160 KJ Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747278 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747348 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747412 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747619 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747750 KJ Annotated Anodyne CCCCOCCCNC(=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 ZINC000199747804 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748011 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748031 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748089 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748252 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748423 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccccc2)C1=O ZINC000199748454 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199748694 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199748728 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199748805 KJ Annotated Anodyne COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000199805449 KJ Annotated Anodyne C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000199822768 KJ Annotated Mild C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000199823771 KJ Annotated Mild Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC2CCN(C)CC2)cc1Cl ZINC000199936765 KJ Annotated Anodyne Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)cccc1N1Cc2ccc(C(C)(C)C)cc2C1=O ZINC000199972459 KJ Annotated Anodyne C[N+](C)(C)CCCC(=O)OCOc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O ZINC000002007867 KJ Annotated Bother CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc(OC)c(OC)cc3C(=O)CS2)cc1)OCC ZINC000002013894 KJ Annotated Anodyne COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000002478417 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002480423 KJ Annotated Bother COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3OC)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000002480552 KJ Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000002480563 KJ Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000002480567 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000002480652 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000002480654 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000002480656 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000002480933 KJ Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000002482516 KJ Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002484120 KJ Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002484121 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCC(C)(C)CO)cc1OCc1ccccc1 ZINC000002484219 KJ Annotated Bother COCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002484499 KJ Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCO)cc1OCc1ccccc1 ZINC000002484618 KJ Annotated Bother CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000002488026 KJ Annotated Anodyne C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002488318 KJ Annotated Mild CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488691 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488693 KJ Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489388 KJ Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489390 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000002491639 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000002491641 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000002492037 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000002492040 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000002492042 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000002492045 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492601 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492604 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492606 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492608 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(N)=O)ccc1O2 ZINC000002492653 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(N)=O)ccc1O2 ZINC000002492655 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000002492664 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000002492665 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000002492817 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000002493242 KJ Annotated Anodyne CN1C(=O)c2ccccc2[C@H](/C(O)=N/CCN2CCN(Cc3ccccc3)CC2)[C@@H]1c1c[nH]c2ccccc12 ZINC000020154604 KJ Annotated Mild CN1C(=O)c2ccccc2[C@H](/C(O)=N/CCN2CCN(Cc3ccccc3)CC2)[C@H]1c1c[nH]c2ccccc12 ZINC000020154607 KJ Annotated Mild CN1C(=O)c2ccccc2[C@@H](/C(O)=N/CCN2CCN(Cc3ccccc3)CC2)[C@@H]1c1c[nH]c2ccccc12 ZINC000020154610 KJ Annotated Mild CN1C(=O)c2ccccc2[C@@H](/C(O)=N/CCN2CCN(Cc3ccccc3)CC2)[C@H]1c1c[nH]c2ccccc12 ZINC000020154612 KJ Annotated Mild COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000020155977 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000020155979 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000020155980 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000020155982 KJ Annotated Anodyne CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(OCCc4ccccn4)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000200062274 KJ Annotated Anodyne CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(OCc4ccccn4)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000200068891 KJ Annotated Anodyne C=CCOC(=O)N(C)C[C@@H]1Oc2ccc(N)cc2C(=O)N([C@H](C)CO[Si](C)(C)C(C)(C)C)C[C@H]1C ZINC000200345665 KJ Annotated Reactive COc1cc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2cc(O)c(OC)cc2-3)ccc1O ZINC000200924619 KJ Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2ncc(-c3ccccc3C(N)=O)[nH]2)c1 ZINC000200943477 KJ Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2ncc(-c3ccccc3C(N)=O)[nH]2)c1 ZINC000200943509 KJ Annotated Anodyne in-vitro COc1ccc([C@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csc(N3CCOCC3)n2)cc1OC ZINC000201468650 KJ Annotated Anodyne COc1ccc([C@@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csc(N3CCOCC3)n2)cc1OC ZINC000201468679 KJ Annotated Anodyne COc1ccc([C@@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2cc(C)[nH]n2)cc1OC ZINC000201468941 KJ Annotated Anodyne COc1ccc([C@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2cc(C)[nH]n2)cc1OC ZINC000201468976 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000201477429 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000201477671 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000201477966 KJ Annotated Anodyne C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000201478018 KJ Annotated Mild C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000201478652 KJ Annotated Mild COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N(c3ccsc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000201481402 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201484893 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201484945 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000201485088 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201485625 KJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCCCCc1ccccc1 ZINC000201490352 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@@H](C)[C@]1(C)O ZINC000201595701 KJ Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OCC4CC4)ccc3nc2NCCNC(C)=O)c2cc(OC)c(OC)cc12 ZINC000201615897 KJ Annotated Anodyne CCc1[nH]c(=O)c(Cc2cc3cc(OCC4CC4)ccc3nc2NCCNC(C)=O)c2cc(OC)c(OC)cc12 ZINC000201619590 KJ Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OCC)ccc3nc2NCCNC(C)=O)c2cc(OC)c(OC)cc12 ZINC000201619633 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000201729561 KJ Annotated Anodyne CN(/C=C\c1c(Br)n(C)c2c(Br)c(Br)ccc12)C(=O)[C@@H]1CCCN1C ZINC000203359896 KJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CCN(CC)CC4)ccc32)c1F ZINC000203428187 KJ Annotated Anodyne in-vitro CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCCCCc1ccccc1 ZINC000203455910 KJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000203456044 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457004 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457023 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457049 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000203457060 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203457117 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457233 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457260 KJ Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]3C)N(Cc3cccc4ccccc34)C2=O)CC1 ZINC000203457265 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203457281 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457737 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457774 KJ Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]3C)N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000203457782 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457826 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457833 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457846 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457899 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458001 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000203458007 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458013 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458050 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458392 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458401 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458529 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203458548 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458648 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458674 KJ Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](C4CCCC4)O[C@@H]3C)N(Cc3cccc4ccccc34)C2=O)CC1 ZINC000203458682 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203458980 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203458995 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459050 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459057 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459083 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459140 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459331 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCN2CCCC2=O)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459424 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459448 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)OCC)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459459 KJ Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459665 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459910 KJ 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(CCC2=CCCCC2)C1=O ZINC000203459918 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCN2CCCC2=O)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460099 KJ Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460131 KJ Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460156 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203460346 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460458 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460498 KJ Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](COCc4ccccc4)O[C@@H]3C)N(Cc3cccc4ccccc34)C2=O)CC1 ZINC000203460511 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460546 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460557 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460565 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460620 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460630 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460657 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460665 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203460709 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCOCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460750 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460799 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460819 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461293 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461304 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461318 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461385 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461430 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203461520 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461658 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461686 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2cccc3ccccc23)C1=O ZINC000203461720 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461812 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461828 KJ Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]3C3CC3)N(Cc3cccc4ccccc34)C2=O)CC1 ZINC000203461836 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203461850 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203462010 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCOCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462045 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462142 KJ Annotated Anodyne COC(=O)[C@H]1C[C@@]2(N3CCCCC3)c3ccccc3N(C(=O)OC(C)(C)C)[C@H]2N1C(=O)OC(C)(C)C ZINC000203463789 KJ Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCc1cccs1 ZINC000203464367 KJ Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000203464384 KJ Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCc1ccccc1 ZINC000203464439 KJ Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCc1ccc(C)o1 ZINC000203464477 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(OC)cc2)C2=CCCCCC[C@@]21C(=O)OCC ZINC000203464486 KJ Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000203464608 KJ Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCSCC1 ZINC000203464616 KJ Annotated Anodyne CCOC(=O)[C@@]12CN(C(=O)OC(C)(C)C)CC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCCCCc1ccccc1 ZINC000203465008 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4cc(-c5ccccc5C)ccc4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000203467256 KJ Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4cccc(-c5ccc6c(c5)OCO6)c34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000203467358 KJ Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccccc1F ZINC000203467449 KJ Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000203467558 KJ Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1cccs1 ZINC000203469337 KJ Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000203469344 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCC[C@]21C(=O)OCC ZINC000203469415 KJ Annotated Anodyne CC(C)CN1C(=O)C[C@]2(C(=O)N(C)c3ccc(NS(=O)(=O)C4CCCCC4)cc32)[C@H]1c1ccccc1 ZINC000203469590 KJ Annotated Anodyne CC(C)CN1C(=O)C[C@]2(C(=O)N(C)c3ccc(NS(=O)(=O)C4CCCCC4)cc32)[C@@H]1c1ccccc1 ZINC000203469596 KJ Annotated Anodyne CC(C)CN1C(=O)C[C@@]2(C(=O)N(C)c3ccc(NS(=O)(=O)C4CCCCC4)cc32)[C@H]1c1ccccc1 ZINC000203469599 KJ Annotated Anodyne CC(C)CN1C(=O)C[C@@]2(C(=O)N(C)c3ccc(NS(=O)(=O)C4CCCCC4)cc32)[C@@H]1c1ccccc1 ZINC000203469605 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203469911 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N(C(=O)CCc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203469932 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470291 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(C(=O)CCc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470300 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470331 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470419 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470437 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470444 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC(=O)N(C(=O)CCc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470501 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC(=O)N(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470507 KJ Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(CCc4ccccc4)nn3)ccc21 ZINC000203470837 KJ Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(CCc4ccccc4)nn3)ccc21 ZINC000203470844 KJ Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(CCc4ccccc4)nn3)ccc21 ZINC000203470864 KJ Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(CCc4ccccc4)nn3)ccc21 ZINC000203470871 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470926 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470935 KJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470953 KJ Annotated Mild COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470978 KJ Annotated Mild O=C1[C@H]2C[C@@]3(n4ccc5ccccc54)c4ccccc4N(S(=O)(=O)c4ccccc4)[C@H]3N2C(=O)CN1Cc1ccccc1 ZINC000203471051 KJ Annotated Anodyne COC(=O)[C@H]1C[C@@]2(n3ccc4ccccc43)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1C(=O)CNC1CCCCC1 ZINC000203471076 KJ Annotated Anodyne COC(=O)[C@@]12CCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000203472277 KJ Annotated Anodyne COC(=O)[C@@]12CCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCCc1ccccc1OC ZINC000203472298 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCCC[C@]21C(=O)OC ZINC000203472313 KJ Annotated Anodyne COC(=O)[C@@]1(C(C)C)N=C(c2cc(OC)c(OC)c(OC)c2)[C@]2(O1)C(=O)N(Cc1cn(-c3ccccc3)nn1)c1cccc(Cl)c12 ZINC000203473147 KJ Annotated Anodyne COc1ccc(CN2C(=O)[C@]3(NCCc4c3[nH]c3ccc(OC)cc43)c3cc(Br)ccc32)cc1 ZINC000203473202 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3O)C(=O)C[C@@](C)(O)O5)c2c1 ZINC000203473261 KJ Annotated Bother COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3O)C(=O)C[C@](C)(O)O5)c2c1 ZINC000203473264 KJ Annotated Bother C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000203473446 KJ Annotated Anodyne CCN(C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1Cc1ccccn1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000203473729 KJ Annotated Bother COc1cc(-c2c3n(c4c(=O)oc5cc(OC)c(O)cc5c24)CCc2cc(O)c(OC)cc2-3)ccc1O ZINC000203688763 KJ Annotated Anodyne CN(c1ccc(C(=O)NCc2ccccc2)cc1)c1nc(NCCOCCOCCNC(=O)c2ccccc2)nc(Nc2ccc(O)cc2)n1 ZINC000203754879 KJ Annotated Anodyne CN(c1ncnc2c(-c3ccc(S(C)(=O)=O)cc3)csc12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000204002841 KJ Annotated Anodyne C[C@]1(C(=O)N(CCCC(=O)O)Cc2ccc3scnc3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000204898231 KJ Annotated Anodyne C[C@@]1(C(=O)N(CCCC(=O)O)Cc2ccc3scnc3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000204898269 KJ Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCN(CC(F)(F)F)CC6)cc5c4)n3c2)cn1 ZINC000204946482 KJ Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000204982348 KJ Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000204982374 KJ Annotated Anodyne Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC7(CCOCC7)C6)cc5c4)n3c2)cn1 ZINC000204983400 KJ Annotated Anodyne COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(=O)OC2(C)CC2)CC1 ZINC000205024061 KJ Annotated Anodyne COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCCNC(=O)OC(C)(C)C ZINC000205042502 KJ Annotated Anodyne C[C@]1(C(=O)N(CCCC(=O)O)Cc2ccc3cc[nH]c3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000205171343 KJ Annotated Anodyne O=S(=O)(c1cccc(OC(F)F)c1)N1[C@H](c2nc3c(OCC4CCOCC4)cccc3[nH]2)[C@H]2CC[C@@H]1C2 ZINC000205210032 KJ Annotated Anodyne Cn1cc([C@]2(O)C(=O)N(Cc3cn(CCc4c[nH]c5ccccc45)nn3)c3cccc(Cl)c32)c2ccccc21 ZINC000205213602 KJ Annotated Anodyne COc1cc(N(C)C)ccc1[C@]1(O)C(=O)N(Cc2cn(CCc3c[nH]c4ccccc34)nn2)c2cccc(Cl)c21 ZINC000205213684 KJ Annotated Anodyne O=C1NC(=O)N(C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000205331895 KJ Annotated Anodyne O=C1NC(=O)N(C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000205331912 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCN2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1 ZINC000205343989 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCN2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1 ZINC000205344005 KJ Annotated Anodyne O=C1NC(=O)N(CCC2CCN(Cc3ccccc3)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000205344030 KJ Annotated Anodyne O=C1NC(=O)N(CCC2CCN(Cc3ccccc3)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000205344047 KJ Annotated Anodyne CN1CCN(C23C[C@H](NC(=O)CCN4CCCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000205390998 KJ Annotated Anodyne Cn1cc(-c2ccc(C(F)(F)F)cc2-c2cn[nH]c2)c2ccc(S(=O)(=O)Nc3ncns3)cc21 ZINC000205419387 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)[C@H](C)N[C@@H]14 ZINC000205432914 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)C2(CC2)N[C@@H]14 ZINC000205432932 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)[C@H](C)N[C@@H]14 ZINC000205434631 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)C2(CC2)N[C@@H]14 ZINC000205434656 KJ Annotated Anodyne CN(c1ncnc2c(-c3ccc(S(C)(=O)=O)cc3F)csc12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000205467506 KJ Annotated Anodyne CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4nc(-c5cccc(C)n5)n[nH]4)C3)cc2)nc2nc(C)nn12 ZINC000205498113 KJ Annotated Anodyne O=C(OCc1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1)c1ccc2nccnc2c1 ZINC000205522784 KJ Annotated Anodyne CC(C)[C@@H]1OC(=O)[C@@H](C)[C@H](CCC[C@@H](C)Cl)OC(=O)c2csc(n2)[C@H](O)COC(=O)c2csc1n2 ZINC000205660828 KJ Annotated Reactive CC(C)[C@@H]1OC(=O)[C@@H](C)[C@H](CCC[C@H](C)Cl)OC(=O)c2csc(n2)[C@H](O)COC(=O)c2csc1n2 ZINC000205660848 KJ Annotated Reactive COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c(O)c3c(=O)c4c(O)c(OC)c(O)cc4oc23)cc1OC ZINC000205698263 KJ Annotated Bother COCCNC(=O)c1c(N)[nH]c(C(=O)c2ccc(Br)cc2)c1-c1c(OC)ccc2ccccc12 ZINC000205704225 KJ Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)C[C@@H](NC(=O)c1c(F)cc(C)cc1F)c1ncc-2[nH]1 ZINC000205706550 KJ Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)C[C@H](NC(=O)c1c(F)cc(C)cc1F)c1ncc-2[nH]1 ZINC000205706569 KJ Annotated Anodyne O=C(NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1)c1ccccc1 ZINC000205713117 KJ Annotated Anodyne CC(C)C[C@H](NC1(C(=O)NC2CCCCC2)CCN(C)CC1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000205714230 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000205715679 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000205715702 KJ Annotated Anodyne COc1cc(Cn2cc([C@]34C[C@H]5C(=O)N(C)CC(=O)N5[C@H]3N(S(=O)(=O)c3ccccc3)c3ccccc34)c3ccccc32)cc(OC)c1 ZINC000205718451 KJ Annotated Anodyne C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1NC(=O)[C@@H]2C[C@]3(Br)c4ccccc4N(S(=O)(=O)c4ccccc4)[C@@H]3N2C1=O ZINC000205718512 KJ Annotated Reactive COc1ccc2c(c1)NC(=O)[C@@]2(CCN1C(=O)c2ccccc2C1=O)c1[nH]c2ccccc2c1CCN1C(=O)c2ccccc2C1=O ZINC000205718658 KJ Annotated Anodyne CSc1c(-c2c(-c3c[nH]c4ccc(O)cc34)c(=O)n3c4ccc(O)cc4c4ccnc2c43)n(C)c[n+]1C ZINC000205743614 KJ Annotated Bother COc1ccc(COC[C@H](C)N2C[C@@H](C)[C@H](CN(C)S(=O)(=O)c3ccc(F)cc3)OCCCC[C@H](C)Oc3nccnc3C2=O)cc1 ZINC000205798632 KJ Annotated Anodyne C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000205841223 KJ Annotated Mild C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000205841249 KJ Annotated Mild O=c1ccc2c3c(c(O)cc2o1)[C@H](c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O3 ZINC000205841898 KJ Annotated Clean O=C(CN1CCN(C(=O)n2ncc(-c3ccc(Br)cc3)n2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000205849823 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@]2(C(=O)OC)C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3)N2[C@@H]1/C=C/c1ccccc1 ZINC000205857255 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3)N1[C@H](/C=C/c1ccccc1)[C@](C)(C(=O)OC)C2 ZINC000205857283 KJ Annotated Anodyne CCOC(=O)[C@H](Nc1cc(Br)ccc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205858999 KJ Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(Br)ccc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205859020 KJ Annotated Anodyne CCOC(=O)[C@H](Nc1ccc(Br)cc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205859042 KJ Annotated Anodyne CCOC(=O)[C@@H](Nc1ccc(Br)cc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205859062 KJ Annotated Anodyne CCOC(=O)[C@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205859088 KJ Annotated Anodyne CCOC(=O)[C@@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205859109 KJ Annotated Anodyne CCCCNC(=O)[C@@H](C(=O)c1cc(OC)c(OC)c(OC)c1)N(Cc1c(Cl)cccc1Cl)C(C)=O ZINC000205862966 KJ Annotated Anodyne CCCCNC(=O)[C@H](C(=O)c1cc(OC)c(OC)c(OC)c1)N(Cc1c(Cl)cccc1Cl)C(C)=O ZINC000205862990 KJ Annotated Anodyne CCOc1cc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)cc1C(=O)NCc1ccc(F)cc1 ZINC000205994578 KJ Annotated Anodyne COC(=O)c1cccc(N2C(=O)C[C@](Sc3ccc(OC)cc3)(C(=O)N(C)C)[C@H]2c2ccc(OC)cc2)c1 ZINC000206024827 KJ Annotated Anodyne COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N(S(=O)(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024903 KJ Annotated Anodyne COC(=O)c1cccc(N2C(=O)C[C@](Sc3ccc(OC)cc3)(C(=O)N3CCN(c4ncccn4)CC3)[C@H]2c2ccc(OC)cc2)c1 ZINC000206024951 KJ Annotated Anodyne CC(=O)OC[C@H](Br)[C@@]1(C)CC=C2[C@@H](C1)[C@H](OC(C)=O)C[C@@H]1[C@@]3(COC(C)=O)C[C@H]3[C@H](OC(C)=O)C[C@@]21C ZINC000206035399 KJ Annotated Reactive CC(=O)OC[C@@H](Br)[C@@]1(C)CC=C2[C@@H](C1)[C@H](OC(C)=O)C[C@@H]1[C@@]3(COC(C)=O)C[C@H]3[C@H](OC(C)=O)C[C@@]21C ZINC000206035423 KJ Annotated Reactive O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccc(Br)cc3)CC[C@]23CCCN13 ZINC000206040913 KJ Annotated Anodyne Cc1cc(NC(=O)OC(C)(C)C)c(-n2nnnc2[C@@H](C(=O)c2ccc3c(c2)OCO3)N2CCCCC2)cc1C ZINC000206062619 KJ Annotated Anodyne Cc1cc(NC(=O)OC(C)(C)C)c(-n2nnnc2[C@H](C(=O)c2ccc3c(c2)OCO3)N2CCCCC2)cc1C ZINC000206062641 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000206094977 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000206094998 KJ Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC(=O)N3CCNC(=O)C3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206119054 KJ Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC(=O)N3CCNC(=O)C3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206119085 KJ Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC(=O)N3CCN(C)C(=O)C3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206124839 KJ Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC(=O)N3CCN(C)C(=O)C3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206124862 KJ Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000206137563 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3cn[nH]c3)nccc2c1 ZINC000206137597 KJ Annotated Anodyne C[C@H]1CN(c2cnn(C/C=C\c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c(=O)c2Cl)C[C@@H](C)N1 ZINC000206759993 KJ Annotated Anodyne CC(C)CN(c1nc(C(=O)NNC(=O)[C@@H](CC2CC2)NC(=O)c2cc3cc(OCCN4CCCCC4)ccc3o2)cs1)C1CC1 ZINC000206845992 KJ Annotated Reactive CC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)n3)nn2[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)C1 ZINC000206902511 KJ Annotated Anodyne CN1CCC(N2CCN(CCOc3cc(NC(=O)/C=C\c4ccccc4Cl)ccc3Br)CC2)CC1 ZINC000206903743 KJ Annotated Anodyne CCC[C@H](C(=O)NCCc1cccc(OC)c1)N1C(=O)c2c(ccc(OC)c2OC)[C@H]1C(=O)Nc1c(C)cccc1C ZINC000206910706 KJ Annotated Anodyne CCC[C@H](C(=O)NCCc1cccc(OC)c1)N1C(=O)c2c(ccc(OC)c2OC)[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000206910755 KJ Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cccc(C(F)(F)F)c3)ccc2=O)c1 ZINC000206933772 KJ Annotated Anodyne CO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C(C)(C)O)cc3F)n2)C[C@H]1N ZINC000207149101 KJ Annotated Anodyne CC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@@H](N)COS(=O)(=O)O)CC[C@@H](O)[C@H]1O2 ZINC000207153620 KJ Annotated Anodyne C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](O)COC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@H](CO)NS(=O)(=O)O)CC[C@@H](O)[C@H]1O2 ZINC000207164391 KJ Annotated Bother CO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4CCS(=O)(=O)CC4)cc3F)n2)C[C@H]1N ZINC000207166394 KJ Annotated Anodyne COCCOc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](OC)[C@H](N)C3)ccc2F)c(F)c1 ZINC000207166459 KJ Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)[C@@H]1OCCC#N ZINC000207182221 KJ Annotated Mild C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1OCCC#N ZINC000207182268 KJ Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@H](C)C2 ZINC000207193191 KJ Annotated Anodyne COC(=O)N(C)[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000207255756 KJ Annotated Anodyne COC(=O)N(C)[C@H]1[C@@H](N)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1C ZINC000207270694 KJ Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)[C@H]1OCCC(=O)O ZINC000207303085 KJ Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1OCCC(=O)O ZINC000207319014 KJ Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@H](C)C2 ZINC000207627456 KJ Annotated Anodyne CCN1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@H]2Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)CC1 ZINC000207715370 KJ Annotated Reactive CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1c(-c2ccccc2)nn2ccccc12 ZINC000207743700 KJ Annotated Anodyne CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N1CC2(COC2)C1 ZINC000207759721 KJ Annotated Reactive CN(C1COC1)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 ZINC000207779092 KJ Annotated Reactive CN(C1COC1)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 ZINC000207784845 KJ Annotated Reactive CN(/C=C/c1c(Br)n(C)c2c(Br)c(Br)ccc12)C(=O)[C@@H]1CCCN1C ZINC000208022318 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@@]1(C)O ZINC000209087480 KJ Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 ZINC000210450852 KJ Annotated Anodyne COC1=C(Br)C[C@@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CC[N+](C)(C)C)cc1Br)[C@H]2O ZINC000210716463 KJ Annotated Bother O=c1oc(/C=C\c2ccc(O)c(O)c2)cc(O)c1/C(=C\c1ccc(O)c(O)c1)c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1 ZINC000210981469 KJ Annotated Clean O=c1oc(/C=C/c2ccc(O)c(O)c2)cc(O)c1/C(=C\c1ccc(O)c(O)c1)c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1 ZINC000210981499 KJ Annotated Clean O=c1oc(/C=C\c2ccc(O)c(O)c2)cc(O)c1/C(=C/c1ccc(O)c(O)c1)c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1 ZINC000210981535 KJ Annotated Clean CCCCCC[C@]1(O)[C@@](O)(COC(=O)c2c(C)cccc2O)[C@@H](Nc2cccc(C(C)=O)c2)[C@H](NC(=O)OCc2ccccc2)[C@@]1(NC(=O)N(C)C)[C@H](C)O ZINC000211059245 KJ Annotated Anodyne COC(=O)C[C@@H]1C[C@H](C)O[C@H](c2c(O)c(CO[C@]3(C)C[C@@H]4O[C@@]45C(C)(C)[C@@H](Cl)CC[C@]5(C)[C@H]3C(=O)O)c(OC)c3c2[C@@H](OC)OC3=O)O1 ZINC000211210223 KJ Annotated Reactive 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-c3ccc(OC)cc3)C[C@]21C ZINC000211226577 KJ Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)N[C@@H]3CCNC3)n2)c1 ZINC000212375562 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(O)c(OC)c2OC)C[C@H](C)[C@@]1(C)O ZINC000215273420 KJ Annotated Anodyne COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(N4CCC([C@H](C)N(C)C)CC4)c3c2)cc(Cl)c1O ZINC000215726978 KJ Annotated Anodyne COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(N4CCC([C@@H](C)N(C)C)CC4)c3c2)cc(Cl)c1O ZINC000215727026 KJ Annotated Anodyne CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ccc(C(F)(F)F)cn5)CC4)oc3cn2)CC1 ZINC000215832642 KJ Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F ZINC000216248564 KJ Annotated Anodyne CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C(c3ccccc3)c3ccccc3)C2)cc1F ZINC000216269163 KJ Annotated Anodyne CCCCCN([C@H](CO)CCC(F)(F)CNC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(CO)cc1 ZINC000216545190 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)c(C(=O)NCc3c(C)cccc3C)c2)NC(=O)N1 ZINC000217049769 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(F)c(C(=O)NCc3c(C)cccc3C)c2)NC(=O)N1 ZINC000217049809 KJ Annotated Anodyne CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)cnc2[nH]1 ZINC000217076651 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@H](C(=O)O)C2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000217392689 KJ Annotated Anodyne C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)NC6CCN(C)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217541671 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)N5CCC(NC(=O)c6ccc(N(C)C)cc6)CC5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217543060 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(OC)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217549220 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC(N7CCC(OC)CC7)C6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217550953 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(OC)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217552571 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C(C)C)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217553506 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C(C)C)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217553576 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)N5CCN(CC6CCCC6)CC5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217557913 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)N(C)C)o5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217559341 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)NC5CCN(C(=O)c6ccc(N(C)C)cc6)CC5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217562629 KJ Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C7CC7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217564269 KJ Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C7CC7)CC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217564362 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C7CC7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217564432 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C7CC7)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217564514 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCC7)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217565408 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(S(C)(=O)=O)cc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217567206 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(S(C)(=O)=O)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217567286 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc6c(c5)OCCO6)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217568329 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc6c(c5)OCCO6)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217568396 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC[C@@H]7CCCN7C6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217578040 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC[C@@H]7CCCN7C6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217578121 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(OCCCN(C)C)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217580653 KJ Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(CCC)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217582058 KJ Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(CCC)CC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217582150 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(CCC)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217582241 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(CCC)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217582319 KJ Annotated Mild CCOC(=O)C1(CC(C)C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000217613250 KJ Annotated Anodyne COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217614628 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CCC(F)=C(F)F)CC1 ZINC000217615947 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2c(F)cccc2F)CC1 ZINC000217616598 KJ Annotated Anodyne Nc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cc(F)cc2s1 ZINC000217617273 KJ Annotated Anodyne C[C@@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1)C(F)(F)F ZINC000217619413 KJ Annotated Anodyne C[C@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1)C(F)(F)F ZINC000217619498 KJ Annotated Anodyne Cc1nc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12 ZINC000217622068 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cccnc2C(F)(F)F)CC1 ZINC000217622298 KJ Annotated Anodyne Cc1cc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)ccc1NS(=O)(=O)c1cccc2nccnc12 ZINC000217622521 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2cccc(F)c2F)CC1 ZINC000217624249 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cc(F)cc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217628376 KJ Annotated Anodyne C=C(CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1)C(F)(F)F ZINC000217628596 KJ Annotated Mild O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CCC=C(F)F)CC1 ZINC000217629342 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CCCC(F)(F)F)CC1 ZINC000217629794 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc23)cc1)N1CCC(O)(Cc2ccccc2F)CC1 ZINC000217631250 KJ Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@@H](C)NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)c1ccnc2ccc(OC)cc12 ZINC000217635884 KJ Annotated Mild O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(Cc2ccccc2C(F)(F)F)CC1 ZINC000217661407 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217763704 KJ Annotated Anodyne CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2F)CC1 ZINC000217780109 KJ Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCOCC5)CC4)cc32)c1C ZINC000218150627 KJ Annotated Anodyne NC(=O)[C@@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3ccc4cn[nH]c4c3)ccc21 ZINC000218425688 KJ Annotated Anodyne Cc1ccc(C)c(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 ZINC000218784255 KJ Annotated Anodyne Cc1ccc(C)c(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 ZINC000218784336 KJ Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[C@@]5(CCCN5C(=O)OC(C)(C)C)C4=O)cn3)nc2n1C1CCCC1 ZINC000218961977 KJ Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[C@]5(CCCN5C(=O)OC(C)(C)C)C4=O)cn3)nc2n1C1CCCC1 ZINC000218962020 KJ Annotated Anodyne C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)cs1)C(F)(F)F ZINC000218998050 KJ Annotated Anodyne O[C@H]1[C@H](O)[C@@H](O)[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)O[C@@H]1Cn1cc(C2CCCC2)nn1 ZINC000219000420 KJ Annotated Anodyne C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C)(O)CC3)cn2)cs1)C(F)(F)F ZINC000219001278 KJ Annotated Anodyne C#Cc1csc(-c2cc(O[C@H]3CCN4C(=O)N(C)CCCC/C=C/[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)[C@@H]4C3)c3ccc(OC)c(C)c3n2)n1 ZINC000219090915 KJ Annotated Mild NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(c5nc6ccc(C(F)(F)F)cc6[nH]5)CC4)c3c2)cc1 ZINC000219133320 KJ Annotated Anodyne C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(Cl)cc(C(F)F)c1 ZINC000219330519 KJ Annotated Anodyne COCCN1CCN(c2nc(SCCc3cccc(Br)c3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219411378 KJ Annotated Mild O=C(CSc1ccccc1)NC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O ZINC000219451306 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)NCC(F)(F)CC[C@@H](CO)N(Cc1cn[nH]c1)S(=O)(=O)c1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1 ZINC000219662061 KJ Annotated Anodyne C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)NC5CCN(C(=O)OC(C)(C)C)CC5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000219707991 KJ Annotated Mild Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5c4)n3c2)cn1 ZINC000219861359 KJ Annotated Anodyne COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(C(OC)OC)cc1Br)[C@@H]2O ZINC000219901046 KJ Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963192 KJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963235 KJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963858 KJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963929 KJ Annotated Anodyne in-vitro Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022451716 KJ Annotated Anodyne O=c1cc(CN2CCNCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12 ZINC000022453272 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)c4nnc(C)n4c2)C3=O)c(OC)n1 ZINC000220201903 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)c4nnc(C)n4c2)C3=O)c(OC)n1 ZINC000220201980 KJ Annotated Anodyne CCc1nn(CCOCC(F)(F)F)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O ZINC000220262798 KJ Annotated Anodyne CCc1nn(CCOCC(F)(F)F)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O ZINC000220262860 KJ Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cc(-c5ccncc5)n[nH]4)c3)sc2C1 ZINC000220414235 KJ Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5[nH]c(=O)ccc5c4)c3)sc2C1 ZINC000220422015 KJ Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1OC ZINC000220422091 KJ Annotated Anodyne N#Cc1cccc2c1CCN2C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1 ZINC000220424592 KJ Annotated Mild COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1C ZINC000220424803 KJ Annotated Anodyne N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)c1 ZINC000220434484 KJ Annotated Mild O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000220463749 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3csnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000220463933 KJ Annotated Anodyne Cc1cc(F)ccc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000220562325 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc23)cc1)N1CCC(O)(c2cccc(F)c2F)CC1 ZINC000220562694 KJ Annotated Anodyne CCOC(=O)[C@H](C)NC(=O)C(=O)[C@@H](c1ccccc1)N1C(=O)C(CC(C)C)=C(c2ccc(OCC=C(C)C)cc2)C1=O ZINC000220572316 KJ Annotated Anodyne CCOC(=O)[C@H](C)NC(=O)C(=O)[C@H](c1ccccc1)N1C(=O)C(CC(C)C)=C(c2ccc(OCC=C(C)C)cc2)C1=O ZINC000220572465 KJ Annotated Anodyne Cc1cc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12 ZINC000220582595 KJ Annotated Anodyne CNc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(CC(C)C)CC4)cc3)cc(Cl)cc2s1 ZINC000220582773 KJ Annotated Anodyne Cc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cccc2o1 ZINC000220582965 KJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000220602550 KJ Annotated Anodyne Cc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)s1 ZINC000220602761 KJ Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N1C(=O)C(CC(C)C)=C(c2ccc(OCC=C(C)C)cc2)C1=O)C(C)C ZINC000220607386 KJ Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N1C(=O)C(CC(C)C)=C(c2ccc(OCC=C(C)C)cc2)C1=O)C(C)C ZINC000220607459 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3c2OCCC3)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000220623810 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000220624007 KJ Annotated Anodyne N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CCO ZINC000220642284 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccc(F)cc2Cl)CC1 ZINC000220662811 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cccc(F)c2Cl)CC1 ZINC000220662906 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cccc(C(F)(F)F)n2)CC1 ZINC000220680656 KJ Annotated Anodyne Cc1cccc(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1 ZINC000220700886 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ncccc2C(F)(F)F)CC1 ZINC000220719290 KJ Annotated Anodyne Cc1ccccc1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000220753768 KJ Annotated Anodyne CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@H]1OCC=C[C@H]1O[P@@](=O)(O)OC[C@H](N)C(=O)O ZINC000220954176 KJ Annotated Anodyne N[C@@H](CO[P@](=O)(O)O[C@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O ZINC000220959125 KJ Annotated Anodyne N[C@@H](CO[P@](=O)(O)OC[C@H]1OCCC[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O ZINC000220959316 KJ Annotated Anodyne N[C@@H](CO[P@](=O)(O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O ZINC000220959370 KJ Annotated Anodyne N[C@@H](CO[P@](=O)(O)OC[C@H]1OCCC[C@@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O ZINC000220960779 KJ Annotated Anodyne N#C[C@H]1C[C@@H](N[C@@H](C2CC2)C(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221174541 KJ Annotated Mild N#C[C@H]1C[C@H](N[C@@H](C2CC2)C(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221174676 KJ Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000221250291 KJ Annotated Mild N#Cc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221267596 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221268401 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221269480 KJ Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(C(F)F)c2)CC1 ZINC000221271332 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc23)c(F)c1)N1CCC(O)(c2cccc(F)c2F)CC1 ZINC000221271904 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2csc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221271981 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3nc(F)ccc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221272319 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1F)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221277143 KJ Annotated Anodyne N#Cc1cc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12 ZINC000221277224 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221277979 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cc(F)ccc2Cl)CC1 ZINC000221279260 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221283432 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221283665 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3ccc(F)nc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221283906 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221284595 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3c2OC(F)(F)O3)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221284867 KJ Annotated Anodyne Nc1nc2cc(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)c(F)cc2s1 ZINC000221286039 KJ Annotated Anodyne COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2OC)n1 ZINC000221363732 KJ Annotated Anodyne CCC[C@H](C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)[C@](O)(C(C)=O)[C@H](O)C1=O ZINC000221589452 KJ Annotated Mild CCC[C@H](C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)[C@@](O)(C(C)=O)[C@H](O)C1=O ZINC000221589554 KJ Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221604833 KJ Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CCOc4cc(O)c5c(c4)O[C@H](c4ccc(O)cc4)CC5=O)[C@H](C)C3)c(F)c21 ZINC000221696796 KJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4nc(C(F)(F)F)[nH]c4c3)c2)c2cncnc21 ZINC000221753532 KJ Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000221765123 KJ Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4C)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221767446 KJ Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4C)cc32)c(C)c1C(=O)N1CCOCC1 ZINC000221767528 KJ Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ncc(-c5ccccc5)o4)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221767865 KJ Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccc(C#N)cc4)cc32)c1C ZINC000221768650 KJ Annotated Anodyne CCN(CC)CCNC(=O)c1ccc(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)[nH]c1=O ZINC000221775158 KJ Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4nnc(-c5ccccc5)o4)cc32)c1C ZINC000221775583 KJ Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)[nH]4)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221776572 KJ Annotated Anodyne CO[C@H](CO)Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21 ZINC000221785516 KJ Annotated Anodyne N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1Cc1cn[nH]n1 ZINC000221785732 KJ Annotated Anodyne COC[C@H](O)Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21 ZINC000221789754 KJ Annotated Anodyne COC[C@@H](O)Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21 ZINC000221789818 KJ Annotated Anodyne CO[C@@H](CO)Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21 ZINC000221791366 KJ Annotated Anodyne C[C@@H](C(N)=O)n1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21 ZINC000221791890 KJ Annotated Anodyne C[C@H](C(N)=O)n1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21 ZINC000221791955 KJ Annotated Anodyne CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)OCCc2cccc(c2)[C@@H](Nc2ccc3c(N)nccc3c2)C1=O ZINC000221795000 KJ Annotated Anodyne in-vitro Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4nnc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221842566 KJ Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4n[nH]c(-c5ccccc5)n4)cc32)c1C ZINC000221843573 KJ Annotated Anodyne NS(=O)(=O)c1cccc(CNC(=O)[C@H](c2nc3ccc(-c4ccncc4Cl)cc3s2)S(=O)(=O)Cc2ccccc2)c1 ZINC000221942553 KJ Annotated Anodyne NS(=O)(=O)c1cccc(CNC(=O)[C@@H](c2nc3ccc(-c4ccncc4Cl)cc3s2)S(=O)(=O)Cc2ccccc2)c1 ZINC000221942605 KJ Annotated Anodyne Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(Oc4cccc(F)c4F)nc23)ccc1C(=O)NC1CC1 ZINC000221948212 KJ Annotated Anodyne Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(NC4CCCCC4)nc23)ccc1C(=O)NC1CC1 ZINC000221948350 KJ Annotated Anodyne O=C(NC1CC1)c1ccc(-c2cnn3c(NCC4CCOCC4)nc(Oc4ccccc4)nc23)cc1Cl ZINC000221952735 KJ Annotated Anodyne Cc1cc(C)cc(Cc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2I)c1 ZINC000222019629 KJ Annotated Anodyne Cc1cc(C)cc(Cc2[nH]c(SCCOc3ccc([N+](=O)[O-])cc3)nc(=O)c2I)c1 ZINC000222021785 KJ Annotated Anodyne NS(=O)(=O)c1ccccc1CNC(=O)[C@H](c1nc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000222077540 KJ Annotated Anodyne NS(=O)(=O)c1ccccc1CNC(=O)[C@@H](c1nc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000222077602 KJ Annotated Anodyne COc1cc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccc(C)cc3)c2C#N)cc(OC)c1OC ZINC000222123879 KJ Annotated Mild COc1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000222136802 KJ Annotated Mild COc1ccccc1Nc1nc(SCc2cn(CC(=O)NC(=O)Nc3ccccn3)nn2)nc(-c2ccc(C)cc2)c1C#N ZINC000222136880 KJ Annotated Mild Cc1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccccc3)c2C#N)cc1 ZINC000222149791 KJ Annotated Mild Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C(C)C)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222372137 KJ Annotated Anodyne COc1ccc2nc(C3CC3)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OCC(C)C)C(=O)N2C1)O3 ZINC000222376695 KJ Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C(F)(F)F)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222378910 KJ Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccccc3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222385250 KJ Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNS(=O)(=O)C3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222389786 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@H]3CC[C@H](C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000222488075 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@@H]3CC[C@H](C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000222488142 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@@H]3CC[C@H](C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000222488205 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@@H]3CC[C@H](C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000222488267 KJ Annotated Anodyne COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C/C=C\C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(N)=O)C(C)C)OC1=O ZINC000222495702 KJ Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)[C@@H]3Cc4ccccc4N3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222496473 KJ Annotated Anodyne CCC(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 ZINC000222508772 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@@H]3CC[C@H](C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000222508821 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@H]3CC[C@H](C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000222508879 KJ Annotated Anodyne N[C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000222606693 KJ Annotated Anodyne N[C@H](C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000222624903 KJ Annotated Anodyne in-vitro COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000222638829 KJ Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O ZINC000222851867 KJ Annotated Anodyne CC(C)CCN1CCC(NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1 ZINC000222857760 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1 ZINC000222858502 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1 ZINC000222859437 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 ZINC000222859985 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 ZINC000222860045 KJ Annotated Anodyne CC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)cnc2[nH]1 ZINC000222899478 KJ Annotated Anodyne COC(=O)c1cc2cc(/C=C/c3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)cnc2[nH]1 ZINC000222907447 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(COC(=O)/C=C/c4ccccc4)=C31)O2 ZINC000222911009 KJ Annotated Anodyne CO[C@@H]1CN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)[C@H]1C ZINC000222941292 KJ Annotated Anodyne C=CC(=O)Nc1cccc(-n2c(=O)cc(C(C)C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1 ZINC000222969686 KJ Annotated Anodyne N#C[C@H]1C[C@@H](N[C@H](C2CC2)C(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000222978426 KJ Annotated Mild N#C[C@H]1C[C@H](N[C@H](C2CC2)C(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000222978933 KJ Annotated Mild CCS(=O)(=O)c1ccc(OC2CCCCC2)c(-c2cn(C)c(=O)c3[nH]c(-c4cnn(C5CCNCC5)c4)cc23)c1 ZINC000222991600 KJ Annotated Anodyne COc1cc(OCc2csc(C3(NS(=O)(=O)C(C)(C)C)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223004592 KJ Annotated Anodyne CCc1sc(N2CCOCC2)nc1COc1cc(OC)cc2oc(-c3cn4nc(OC)sc4n3)cc12 ZINC000223006666 KJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(OCCc2ccc(O)cc2)c1 ZINC000223389726 KJ Annotated Anodyne COc1cc(OCc2csc(C3(NC(=O)CNC(=O)OC(C)(C)C)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223392337 KJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(OCCc2ccc(O)c(F)c2)c1 ZINC000223395727 KJ Annotated Anodyne CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 ZINC000223407719 KJ Annotated Anodyne CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)CN1CCOCC1 ZINC000223571344 KJ Annotated Reactive COCCN1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 ZINC000223572855 KJ Annotated Reactive CCN1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1=O ZINC000223573418 KJ Annotated Reactive N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3)Cc1ccccc1 ZINC000223674980 KJ Annotated Anodyne Cc1nc(N)sc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000223790938 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224061023 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224061071 KJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)[C@@H]2c3cccc(-c4ccc(C(=O)NC)nc4)c3CCN2C(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)cc1 ZINC000224067650 KJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)[C@H]2c3cccc(-c4ccc(C(=O)NC)nc4)c3CCN2C(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)cc1 ZINC000224067705 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1 ZINC000224068733 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1 ZINC000224068789 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224070431 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224070485 KJ Annotated Anodyne CN(C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(C(=O)OCCN(C)C)cc2)cc1 ZINC000224070770 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1c[nH]c(=O)c(Cl)c1)C2=O ZINC000224073397 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1c[nH]c(=O)c(Cl)c1)C2=O ZINC000224073456 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c[nH]c1=O)C2=O ZINC000224079465 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c[nH]c1=O)C2=O ZINC000224079520 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2c[nH]c(=O)c(Cl)c2)C3=O)c(OC)n1 ZINC000224080713 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2c[nH]c(=O)c(Cl)c2)C3=O)c(OC)n1 ZINC000224080765 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000224082419 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000224082474 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000224086592 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000224086655 KJ Annotated Anodyne CNc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2c[nH]c(=O)c(Cl)c2)C3=O)c(OC)n1 ZINC000224087504 KJ Annotated Anodyne CNc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2c[nH]c(=O)c(Cl)c2)C3=O)c(OC)n1 ZINC000224087567 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000224088071 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000224088125 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224096833 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224096880 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1c[nH]c(=O)c(Cl)c1)C2=O ZINC000224097856 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1c[nH]c(=O)c(Cl)c1)C2=O ZINC000224097903 KJ Annotated Anodyne CNc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224109148 KJ Annotated Anodyne CNc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224109209 KJ Annotated Anodyne CC(C)/C=C(\C#N)C(=O)N1CC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 ZINC000224115279 KJ Annotated Reactive CC(C)/C=C(\C#N)C(=O)N1CC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 ZINC000224115325 KJ Annotated Reactive CNc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1 ZINC000224130758 KJ Annotated Anodyne CNc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1 ZINC000224130815 KJ Annotated Anodyne CC(C)/C=C(\C#N)C(=O)N1CC(Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 ZINC000224136134 KJ Annotated Reactive CC(C)/C=C(/C#N)C(=O)N1CC(Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 ZINC000224136188 KJ Annotated Reactive COCCN1CCN(C(C)(C)/C=C(/C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 ZINC000224285907 KJ Annotated Reactive CC(C)(/C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)CN1CCOCC1 ZINC000224317160 KJ Annotated Reactive CCN1CCN(C(C)(C)/C=C(/C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1=O ZINC000224358315 KJ Annotated Reactive CCc1ccccc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000224362634 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(/C=C/CC(F)(F)F)CC1 ZINC000224383081 KJ Annotated Anodyne CNc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cccc2s1 ZINC000224392388 KJ Annotated Anodyne CCN1CCN(C(C)(C)/C=C(/C#N)C(=O)N2CCC[C@H]2Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)CC1 ZINC000224449834 KJ Annotated Reactive CCC(=O)NS(=O)(=O)c1cnn2c(Nc3cc(Cl)ccc3Cl)c(C(=O)N3CCC4(CC3)OCc3ccccc34)cnc12 ZINC000224686353 KJ Annotated Anodyne O=C(NS(=O)(=O)c1cnn2c(Nc3cc(Cl)ccc3Cl)c(C(=O)N3CCC4(CC3)OCc3ccccc34)cnc12)C1CC1 ZINC000224687439 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cnn2c(Nc3ccc(F)cc3C)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12 ZINC000224718335 KJ Annotated Anodyne Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC4(CC3)OCc3ccccc34)cnc3c(S(=O)(=O)NC(=O)NCC(F)(F)F)cnn23)c1 ZINC000224760905 KJ Annotated Anodyne COc1cc(CN(C[C@H]2CC[C@@H](C(=O)O)C2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000224842867 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2F)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224895208 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2F)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224895249 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000224895564 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000224895603 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c[nH]c1=O)C2=O ZINC000224897361 KJ Annotated Anodyne COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c[nH]c1=O)C2=O ZINC000224897415 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224902819 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224902865 KJ Annotated Anodyne CNc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000224907776 KJ Annotated Anodyne CNc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000224907813 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224908135 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224908174 KJ Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1OCCN1CCOCC1 ZINC000224909258 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2F)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000224909265 KJ Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2F)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000224909303 KJ Annotated Anodyne O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022580993 KJ Annotated Anodyne CCOC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927878 KJ Annotated Anodyne C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928044 KJ Annotated Anodyne C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928050 KJ Annotated Anodyne C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928054 KJ Annotated Anodyne C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928059 KJ Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3(F)CNC3)cccc2c1 ZINC000225039003 KJ Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225079943 KJ Annotated Anodyne COc1cc(-c2cc(F)cc(F)c2)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225110557 KJ Annotated Anodyne COc1cc(-c2ccc(F)c(F)c2)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225117709 KJ Annotated Anodyne N#CCOc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)N(OC(=O)C(F)(F)F)c3ncns3)ccc12 ZINC000225122531 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)N6CCOCC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225420210 KJ Annotated Mild O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023257023 KJ Annotated Anodyne CC[C@@H]1[C@H](CC2=N/C(=C/c3[nH]c(C[C@@H]4NC(=O)[C@@H](CC)[C@H]4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC(=O)[C@H]1C ZINC000230052509 KJ Annotated Anodyne in-man CC[C@@H]1[C@H](CC2=N/C(=C/c3[nH]c(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC(=O)[C@H]1C ZINC000230052516 KJ Annotated Anodyne in-man CC[C@@H]1[C@H](CC2=N/C(=C/c3[nH]c(C[C@H]4NC(=O)[C@@H](CC)[C@H]4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC(=O)[C@H]1C ZINC000230052523 KJ Annotated Anodyne in-man CC[C@@H]1[C@H](CC2=N/C(=C/c3[nH]c(C[C@H]4NC(=O)[C@H](CC)[C@H]4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC(=O)[C@H]1C ZINC000230052528 KJ Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)C[C@@]2(O[C@@H]3[C@@H](C(=O)C(C)=C4C[C@@H](C(C)(C)O)CC[C@]43C)C2=O)C1=O ZINC000230092267 KJ Annotated Mild in-man CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)C[C@@]2(O[C@@H]3[C@@H](C(=O)C(C)=C4C[C@H](C(C)(C)O)CC[C@]43C)C2=O)C1=O ZINC000230092272 KJ Annotated Mild in-man CC1=C2C[C@@H](C(C)(C)O)CC[C@]2(C)[C@@H]2O[C@@]3(C[C@@]4(C)CC[C@@H](C(C)(C)O)CC4=C(C)C3=O)C(=O)[C@@H]2C1=O ZINC000230092276 KJ Annotated Mild in-man CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]2O[C@@]3(C[C@@]4(C)CC[C@@H](C(C)(C)O)CC4=C(C)C3=O)C(=O)[C@@H]2C1=O ZINC000230092279 KJ Annotated Mild in-man O=C(O[C@H]1[C@H]2Oc3cc(O)cc(O)c3[C@H]1c1c(O)cc(O)c3c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](C3)OC(=O)c1cc(O)c(O)c(c1)Oc1c2cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1 ZINC000230098263 KJ Annotated Clean in-man O=C1O[C@H]2Cc3c(O)cc(O)c(c3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@@H]2c3c(O)cc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000230098272 KJ Annotated Clean in-man O=C1O[C@@H]2Cc3c(O)cc(O)c(c3O[C@H]2c2cc(O)c(O)c(O)c2)[C@@H]2c3c(O)cc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000230098280 KJ Annotated Clean in-man O=C1O[C@H]2Cc3c(O)cc(O)c(c3O[C@H]2c2cc(O)c(O)c(O)c2)[C@@H]2c3c(O)cc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000230098288 KJ Annotated Clean in-man O=C1O[C@@H]2Cc3c(O)cc(O)c(c3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@H]2c3c(O)cc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000230161010 KJ Annotated Clean in-man O=C(O[C@@H]1[C@H]2Oc3cc(O)cc(O)c3[C@H]1c1c(O)cc(O)c3c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](C3)OC(=O)c1cc(O)c(O)c(c1)Oc1c2cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1 ZINC000230161017 KJ Annotated Clean in-man O=C(O[C@@H]1[C@H]2Oc3cc(O)cc(O)c3[C@@H]1c1c(O)cc(O)c3c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](C3)OC(=O)c1cc(O)c(O)c(c1)Oc1c2cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1 ZINC000230161027 KJ Annotated Clean in-man CCN(C(=O)C1CCN(S(=O)(=O)c2cc3c(ccn3C(C)=O)cc2Br)CC1)c1cccc(C)c1 ZINC000230498717 KJ Annotated Anodyne in-vitro CCC(=O)N[C@H](C)c1cccc(CC(=O)/N=C(/N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000230499939 KJ Annotated Mild COC(=O)c1cn(C[C@H](CC2Cc3ccccc3C2)[C@H](O)c2cc(OC)c(C(C)=O)c(OC)c2)cc1CCC(=O)O ZINC000230520661 KJ Annotated Anodyne in-vitro COc1cc([C@@H](O)[C@H](COc2ccc(C3(C(=O)O)CC3)cc2)OC2Cc3ccccc3C2)cc(OC)c1C ZINC000230520713 KJ Annotated Anodyne in-vitro COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1ccc3c(c1)CCCN3)c1ncc-2[nH]1 ZINC000230572886 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nn(-c4cnc(OC)nc4OC)c3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)c(F)c1 ZINC000230580334 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nn(-c4cnc(OC)nc4OC)c3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)c(F)c1 ZINC000230580372 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nn(-c4cnc(OC)nc4OC)c3C(C)C)C(=O)N2c2cc(Cl)cn(C)c2=O)cc1F ZINC000230580441 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nn(-c4cnc(OC)nc4OC)c3C(C)C)C(=O)N2c2cc(Cl)cn(C)c2=O)cc1F ZINC000230580475 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nn(-c4cnc(OC)nc4OC)c3C(C)C)C(=O)N2c2cc(Cl)cn(C)c2=O)c(F)c1 ZINC000230580543 KJ Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nn(-c4cnc(OC)nc4OC)c3C(C)C)C(=O)N2c2cc(Cl)cn(C)c2=O)c(F)c1 ZINC000230580584 KJ Annotated Anodyne [C-]#[N+]c1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cn3)c2)ccc1OCC1CCN(C(C)=O)CC1 ZINC000230583241 KJ Annotated Anodyne COC(=O)C[C@@H]1N=C(c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000231605055 KJ Annotated Anodyne Oc1ccc([C@H]2Oc3c(O)c(O)cc(-c4c(O)c5c(c(-c6cc(O)c(O)c7c6C[C@H](O)[C@@H](c6ccc(O)c(O)c6)O7)c4O)O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)c3C[C@@H]2O)cc1O ZINC000238730805 KJ Annotated Clean CC(=O)OC/C=C(\C)CC[C@@H]1[C@@](C)(O[C@H]2OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2O)CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000238730899 KJ Annotated Anodyne COc1ccc(-c2coc3c4c(ccc3c2=O)O[C@H](c2cc(OC)c(OC(C)=O)c(OC)c2)[C@@H](COC(C)=O)O4)cc1OC(C)=O ZINC000238730934 KJ Annotated Anodyne C/C=C(/C)C(=O)N[C@H](C)C(=O)O[C@H]1C/C=C/C=C/C=C/[C@H](OC)CC(=O)Nc2cc(O)cc(c2O)CC/C=C(/C)[C@H](O)[C@H]1C ZINC000238730987 KJ Annotated Anodyne CO/C(=C/C(=O)O)[C@H]1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)[C@H]6/C(=C\C(=O)O)OC)c(O)c3c(O)c2C(=O)C[C@]1(C)O ZINC000238731166 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)C(=O)CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000238731204 KJ Annotated Mild CO[C@@H]1C(=O)O[C@@H](C)[C@@H](C)/C=C(\C)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Cl)[nH]c3ccccc23)C(=O)N[C@@H]1c1ccc(O)cc1 ZINC000238731351 KJ Annotated Anodyne O=C([C@@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@@H](C(=O)N2CCCC2)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCC1 ZINC000238731426 KJ Annotated Anodyne CO[C@H]1CC(=O)N2c3cc(O)cc4c3O[C@H](/C=C/C=C/C[C@@H](OC(=O)[C@H](C)NC(=O)C3CCCCC3)[C@@H](C)[C@H](O)/C(C)=C\CC4)[C@H]12 ZINC000238731704 KJ Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](O)[C@@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238731725 KJ Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000238732189 KJ Annotated Clean COc1c(O)c2c(=O)cc3c([C@@H](C)C(=O)C[C@H](C)O)c([C@@H](C)C(=O)C[C@H](C)O)c4cc(=O)c5c(O)c(OC)c(OC)c6c(c1OC)c2c3c4c56 ZINC000238732351 KJ Annotated Bother O=C1C[C@H]2c3c(cc(O)c([C@H]4c5c(O)cc6c(c5O[C@H](c5ccc(O)c(O)c5)[C@@H]4O)[C@H]4c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O6)[C@@H]4O)c3O[C@H](c3ccc(O)cc3)[C@@H]2O)O1 ZINC000238732360 KJ Annotated Clean COC1=CC(=O)C([C@@H]2COc3ccccc3[C@H]2c2cc([C@@H]3COc4cc(O)ccc4C3)c(O)cc2OC)=CC1=O ZINC000238732757 KJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@@]1(O)CCl ZINC000238732865 KJ Annotated Reactive COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@@](C)(O)C6)c2c1)C[C@](C)(O)CC3=O ZINC000238732908 KJ Annotated Anodyne COC(=O)[C@]1(C)CO[C@@H](O)C[C@]2(C)[C@@H]1C[C@H](O)[C@]1(C)C3=CC[C@H]([C@@H]4C=C(C(C)C)C(=O)C4)[C@@]3(C)CC[C@@H]21 ZINC000238733019 KJ Annotated Mild CC(=O)O[C@@H]1CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C ZINC000238733378 KJ Annotated Mild O=C(/C=C/[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000238733923 KJ Annotated Anodyne COc1ccc2c3c(c(=O)n(C)c2c1OC)C1=C[C@]2(C)C[C@@H](c4c(c5ccc(OC)c(OC)c5n(C)c4=O)O2)[C@@H]1C(C)(C)O3 ZINC000238734169 KJ Annotated Anodyne COC(=O)[C@H](C(=O)C(C)C)c1c(OC)ccc2c1O[C@]1(C=C2)O[C@@H](Cc2c(OC)ccc3ccc(=O)oc23)C(C)(C)O1 ZINC000238734223 KJ Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](O)[C@@H]2OC(C)=O ZINC000238734514 KJ Annotated Mild CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)\C=C/[C@H](O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000238734574 KJ Annotated Anodyne CC(=O)Oc1c(OC(=O)C[C@H](C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)O)c(OC(=O)C[C@H](C)OC(C)=O)c1-c1ccc(O)cc1 ZINC000238734617 KJ Annotated Anodyne CC1=CC[C@H]([C@H](C)[C@H]2CC=C3[C@H]4CC[C@@H]5C(C)(C)O[C@H]6CC(=O)O[C@]65C[C@]4(OC=O)CC[C@]32C)OC1=O ZINC000238734716 KJ Annotated Anodyne CC1(C)[C@@H]2CC[C@H](C=O)[C@]23C[C@H]1C(C(=O)O)=C[C@@H]3OC(=O)CCCCCCC[C@@H](O)[C@H](O)CCCCCCO ZINC000238735006 KJ Annotated Mild CC(C)=CC[C@H]1C[C@]2(C[C@H](O)C(C)(C)O)C(=O)C3=C(OC(C)(C)[C@@H](O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000238735064 KJ Annotated Mild CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4C(C)(C)[C@H](OC(C)=O)[C@H](OC(=O)C=C(C)C)C[C@]4(C)[C@H]2CC[C@@H]1C3 ZINC000238735139 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C)(C)OC(=O)C=C[C@@]2(C)[C@@H]2CC[C@@]3(C)C(=CC[C@@H]3[C@@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@@]12C ZINC000238735655 KJ Annotated Anodyne CC(=O)O[C@H]1CC2=C(C=C[C@@H]3C(=C2)C=CC(=O)OC3(C)C)[C@]2(C)C[C@@H](OC(C)=O)[C@H]([C@@](C)(O)[C@@H]3CC=C(C)C(=O)O3)[C@@]12C ZINC000238735807 KJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)C[C@@H](O)CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238736325 KJ Annotated Mild CCCCCC[C@@H]1CCCCCCCCCCC(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CO)O[C@H]2O1 ZINC000238736355 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)cc3)[C@@H]12 ZINC000238736391 KJ Annotated Anodyne COC(=O)CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3O ZINC000238736406 KJ Annotated Mild COC(=O)C[C@@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@]2(C)[C@H]1CC=C1[C@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)C[C@H](O)[C@]12C ZINC000238736437 KJ Annotated Anodyne COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCc1ccn(CCCNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4C)C3)c1)=NO2 ZINC000238736531 KJ Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@H](C[C@H](O)CC2)N31 ZINC000238736846 KJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238736951 KJ Annotated Mild O=C1N[C@@H](CC2CCCCC2)C(=O)N2[C@H]1C[C@@]1([C@]34C[C@H]5C(=O)N[C@@H](CC6CCCCC6)C(=O)N5[C@H]3Nc3ccccc34)c3ccccc3N[C@H]21 ZINC000238737200 KJ Annotated Anodyne C=C1[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)O[C@H]3CC[C@@]2(C)[C@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000238737734 KJ Annotated Mild Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2SCc1ccccc1 ZINC000238738281 KJ Annotated Clean CO[C@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(SC)=C(NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](CC(=O)O)[C@@H]1C)C4=O ZINC000238738538 KJ Annotated Mild CC/C(C)=C/C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@H]3C[C@@]24C(=C[C@@H]3OC(=O)/C=C(\C)CC)[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@H]14 ZINC000238738717 KJ Annotated Anodyne CO[C@@H]1[C@@H](OC(=O)c2ccc3c(c2)OCO3)[C@@H]2[C@@]3(C)C(=O)[C@@H](OC(=O)c4ccccc4)CC[C@@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@@]23C ZINC000238738804 KJ Annotated Anodyne C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000238739011 KJ Annotated Mild C=C(C)/C=C1C(=C2/C[C@H](O)[C@@H]3O[C@]3(CC=C(C)C)C2=O)/C=C(C)C[C@@]/12C[C@H](O)[C@@H]1O[C@]1(CC=C(C)C)C2=O ZINC000238739090 KJ Annotated Mild C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@@H]1C[C@@H]2O[C@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@H]1OC(=O)/C(C)=C\C ZINC000238739199 KJ Annotated Mild O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@@H]2c3c(O)cc(O)cc3O[C@@H](c3ccc(O)cc3)[C@@H]21 ZINC000238739769 KJ Annotated Anodyne C=C/C(C)=C/C[C@]1(C)[C@@H](C)C[C@H](OC(=O)c2ccccc2)[C@]23C(=C[C@@H](O)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000238740006 KJ Annotated Anodyne COC(=O)/C(=C\c1ccc(OC)cc1)c1c(OC)cc(OC)c2c1O[C@](Cc1ccc(OC)cc1)(OC)C2=O ZINC000238740283 KJ Annotated Anodyne CCCCC[C@@H]1CCCCCCCCCCCC(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2O1 ZINC000238740286 KJ Annotated Anodyne CCOc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000238740477 KJ Annotated Clean Cc1cc(O)c2c(c1)C(=O)C(c1c(C)c(-c3c(C)cc4c(c3O)C(=O)C=C(c3c(C)cc5c(c3O)C(=O)[C@@H]3O[C@@H]3C5=O)C4=O)c3c(c1O)C(=O)[C@H]1O[C@H]1C3=O)=CC2=O ZINC000238740537 KJ Annotated Mild CO/C(=C\C(=O)O)[C@@H]1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)[C@@H]6/C(=C/C(=O)O)OC)c(O)c3c(O)c2C(=O)C[C@]1(C)O ZINC000238740875 KJ Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@H]1O[C@@]2(O)C(OC)=CC(=O)[C@]3(c4cc(=O)c5c(O)cc(O)cc5o4)CC=C(C)[C@H]1[C@H]23 ZINC000238741236 KJ Annotated Mild COc1cc2c(c(O)c1-c1c(OC)cc3c(c1O)C(=O)C1=C(C[C@@H](C)O[C@H]1C)C3=O)C(=O)C1=C(C[C@@H](C)O[C@H]1C)C2=O ZINC000238741370 KJ Annotated Mild CC[C@H](C)C[C@@H](C)/C=C(\C)[C@H]1O[C@@H](c2c(O)c([C@]3(O)CCC(OC)(OC)C[C@H]3O)cn(C)c2=O)CC[C@@H]1C ZINC000238741383 KJ Annotated Anodyne O=C(O)C[C@H]1c2c(O)cc(O)c([C@H]3c4c(O)cc5c(c4O[C@H](c4ccc(O)cc4)[C@@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O5)[C@@H]3O)c2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O ZINC000238741480 KJ Annotated Clean C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2O)OCO3)[C@H](OC(=O)CC)[C@H](C)[C@]1(C)O ZINC000238741678 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@](C)(OC(C)=O)/C=C2/C(=C[C@@H](C)[C@H]2OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@H](C)/C=C/C(C)(C)[C@H]1OC(C)=O ZINC000238741925 KJ Annotated Anodyne CCCCOC(=O)C/C(C)=C/[C@@H](O)[C@@H]1O[C@H]2CC/C(Cl)=C\C/C=C(/C)[C@@H](OC(C)=O)CC(=O)O[C@H]1C2 ZINC000238741927 KJ 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@@]21OC(C)=O ZINC000238742456 KJ Annotated Anodyne CC1(C)[C@@H]2C[C@@]3([C@@H](C=O)CC[C@@H]13)[C@@H](O)C(CCCCCCC[C@H](O)[C@H](O)CCCCCCCO)=C2C(=O)O ZINC000238742550 KJ Annotated Mild C=Cc1c(C)c2n(c1/C=C1/NC(=O)C(CCC(=O)OC)=C1C)CCC1=C(C)C(/C=C3/NC(=O)C(CCC(=O)OC)=C3C)=NC1=C2 ZINC000238742816 KJ Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(CC)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@H](NC)[C@H](O)[C@@H](CC)O2)cc([C@@H]2C[C@@H](NC)[C@@H](O)[C@H](CC)O2)c1C3=O ZINC000238742998 KJ Annotated Clean Oc1ccc([C@H]2Oc3c(cc([C@H]4c5ccc(O)c(O)c5O[C@H](c5ccc(O)cc5)[C@@H]4O)c(O)c3O)[C@@H](c3cc4c(c(O)c3O)O[C@H](c3ccc(O)cc3)[C@H](O)[C@@H]4O)[C@@H]2O)cc1 ZINC000238743006 KJ Annotated Clean CC/C1=C/N(C=O)CCc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C)[C@H]2[C@@](O)(OC(C)=O)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)CC(=O)C1 ZINC000238743174 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C=C/[C@H]2[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)C[C@@]21OC(C)=O ZINC000238743306 KJ Annotated Anodyne COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@@H](OC(C)=O)c2ccc(O[C@@H](COC(C)=O)[C@@H](OC(C)=O)c3ccc(OC(C)=O)c(OC)c3)c(OC)c2)ccc1OC(C)=O ZINC000238743847 KJ Annotated Anodyne C/C(=C\CC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C=C(\C)CC[C@@H](O)[C@](C)(O)CC/C=C(\C)CO)CO ZINC000238744056 KJ Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC(CC4=C[C@@]5(CCO)CC(C(=O)OC)=C6Nc7ccccc7[C@@]67CCN(C4)[C@@H]57)=C[C@](CCO)(C1)[C@@H]23 ZINC000238744676 KJ Annotated Anodyne C=C1[C@@H](OCC(C)C)C[C@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@]2(OC(C)=O)C[C@](C)(OC(C)=O)[C@@H](OC(C)=O)[C@H]2[C@@H]1OC(C)=O ZINC000238745138 KJ Annotated Mild CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238745742 KJ Annotated Anodyne Oc1ccc([C@H]2Oc3c(ccc(O)c3O)[C@H](c3cc4c(c(O)c3O)O[C@H](c3ccc(O)cc3)[C@H](O)[C@H]4c3cc4c(c(O)c3O)O[C@H](c3ccc(O)cc3)[C@H](O)[C@@H]4O)[C@H]2O)cc1 ZINC000238745951 KJ Annotated Clean COc1cc2cc3c(c(OC(C)=O)c2c(OC(C)=O)c1[C@@H]1C(=O)c2c(cc4oc(C)cc(=O)c4c2OC(C)=O)C(=O)[C@H]1OC)C(=O)C=C(C)C3 ZINC000238746054 KJ Annotated Mild COC(=O)[C@]1(C)CO[C@@H](O)C[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@]1(C)C3=CC[C@H]([C@@H]4C=C(C(C)(C)O)C(=O)C4)[C@@]3(C)CC[C@@H]21 ZINC000238746056 KJ Annotated Mild 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@@]21OC(C)=O ZINC000238746172 KJ Annotated Anodyne O=C1[C@@H]2C[C@@H](c3ccc(O)cc3O2)[C@]23O[C@@]2(c2ccc(O)cc2O)Oc2cc(/C=C/c4ccc(O)cc4O)cc(O)c2[C@H]13 ZINC000238746258 KJ Annotated Anodyne COC(=O)C[C@@]1(C)/C(=C(/C)C(=O)OC)CC[C@]2(C)[C@@H]1CC=C1[C@H]3[C@@](C(=O)OC)(CC[C@]12C)[C@@H](O)C[C@@H](C)[C@@]3(C)O ZINC000238746368 KJ Annotated Anodyne CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238746412 KJ Annotated Anodyne COc1cc(O)c2c(c1)C(c1c(OC)cc3c(c1O)C(=O)c1c(O)cc(C)cc1C3=O)=C1CC(C)(C)CC(=O)[C@@H]1[C@H]2O ZINC000238746443 KJ Annotated Clean Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H]2SCc1ccccc1 ZINC000238746446 KJ Annotated Clean C=C1[C@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]34[C@@H](C)C(=O)C[C@H]([C@H](OC(C)=O)[C@@]123)C4(C)C ZINC000238746490 KJ Annotated Mild COc1c(-c2ccc(O[C@@]3(O)C(=O)c4c(O)cc(O)cc4O[C@@]3(O)c3ccc(C)c(O)c3)c(O)c2CC=C(C)C)oc2cc(O)cc(O)c2c1=O ZINC000238746590 KJ Annotated Anodyne CCCCCCCC(=O)OCC/C=C\[C@H](O)[C@H](O)[C@@H]1OC(=O)/C=C\C=C\c2nc(oc2C)/C=C(/C)CC[C@@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238746683 KJ Annotated Mild C[C@@H]1C(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)CC6=O)c(O)cc(O)c3c2O)O[C@@H]1C ZINC000238746882 KJ Annotated Anodyne C=C([C@H](C[C@H]1OC(C)(C)OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](OC(C)=O)[C@H]1OC(=O)/C(C)=C\C ZINC000238747019 KJ Annotated Reactive COc1ccc([C@@H]2CCC3=C(O2)[C@]24Oc5cc(OC)cc(OC)c5C(=O)[C@@]2(O)[C@H](c2ccc(OC)cc2)OC4=CC3=O)cc1 ZINC000238747101 KJ Annotated Mild C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@H](O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000238747617 KJ Annotated Clean C=C1C[C@@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000238747784 KJ Annotated Mild 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@@]21OC(C)=O ZINC000238747903 KJ Annotated Anodyne CC[C@@](C)(O)[C@H]1OC(=O)[C@@H](C)[C@@H](CCCC(C)(Cl)Cl)OC(=O)c2csc(n2)[C@H](O)COC(=O)c2csc1n2 ZINC000238748068 KJ Annotated Anodyne C=C(O[C@H]1C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@H]12)c1ccccc1 ZINC000238748091 KJ Annotated Mild C[C@@H]1O[C@H]1/C=C\C(=O)Oc1c(OC(=O)/C=C\[C@@H]2O[C@H]2C)c(-c2ccc(O)cc2)c(OC(=O)/C=C\[C@@H]2O[C@H]2C)c(O)c1-c1ccc(O)cc1 ZINC000238748137 KJ Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@@H](O)[C@@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238748595 KJ Annotated Anodyne COc1ccc([C@H]2Oc3c(O)cc(/C=C/C(=O)NCCc4ccc(O)cc4)cc3[C@H]2C(=O)NCCc2ccc(O)cc2)cc1OC ZINC000238748600 KJ Annotated Anodyne C=C(CC/C=C\C=C\C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)C[C@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000238748607 KJ Annotated Mild C=C/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)CCC1=C(C)C(=O)OC1=O)CC ZINC000238748785 KJ Annotated Reactive CC[C@@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@H]1C(=O)c2c(OC)cc(OC)cc2O[C@@](C(=O)OC)(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000238748984 KJ Annotated Anodyne CC[C@@]1(O)C[C@H]([C@H]2C[C@](O)(CC)[C@H](C(=O)OC)c3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC ZINC000238749253 KJ Annotated Clean CCCCCCCCCCCC(=O)N(O)CCCC[C@@H](NC(=O)[C@@]1(C)COC(c2cccc(O)c2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238749466 KJ Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)c3ccccc3)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238749504 KJ Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H](C)[C@@]34C[C@@](C(=O)O)(c5ccc(C)c([C@H](C)CCCO)c5)[C@@H](C(C)=C3C[C@H]12)[C@H]4OC(C)=O ZINC000238749554 KJ Annotated Mild COC(=O)[C@@]12C(=O)C3=C([C@@H](O)C[C@@H](C4=CC(=O)[C@@]5(C(=O)OC)[C@H](C)CC[C@@]5(C)[C@@H]4C)C3)[C@@H](C)[C@]1(C)CC[C@H]2C ZINC000238749582 KJ Annotated Mild CC(C)C(=O)O[C@@H]1[C@H]2C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@](C)(C2=O)[C@H]2CC(=O)OC[C@@]21C ZINC000238749876 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](C)O[C@@H](Oc2c(C(C)C)ccc(C)c2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(=O)CC(C)C ZINC000238749957 KJ Annotated Anodyne C=CC1=C(C)[C@@H](Cc2[nH]c([C@@H]3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCC)c(C)c4C(=O)[C@H]3C(=O)OC)c(CCC(=O)O)c2C)NC1=O ZINC000238750023 KJ 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@H](Cl)[C@H](Cl)c1ccccc1 ZINC000238750259 KJ Annotated Reactive CCCCCCC(=O)O[C@H]1CCC[C@H](/C=C\C=C/[C@H](O)C[C@H](OP(=O)(O)O)[C@@](O)(/C=C/[C@H]2OC(=O)C=C[C@@H]2CC)CCN)C1 ZINC000238750373 KJ Annotated Anodyne C=C(C)[C@H]1Cc2c(c(Cc3c(OC(C)=O)c(C)c(CC)oc3=O)c(OC(C)=O)c(C(=O)C(C)C)c2OC(C)=O)O1 ZINC000238750460 KJ Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@@H]2OC(=O)c1ccccc1 ZINC000238750492 KJ Annotated Anodyne C=C1CC[C@@H](C/C=C2/CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\C(=O)OC[C@@H]1O ZINC000238750593 KJ Annotated Mild CO[C@H]1[C@@H]2C(=O)c3c(O)c(CC=C(C)C)c4c(c3O[C@]23[C@@H]2C[C@@]1(OC)C(=O)[C@@]3(C/C=C(\C)C=O)OC2(C)C)C(C)(C)[C@H](C)O4 ZINC000238750895 KJ Annotated Reactive CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](O)[C@H](OCc1ccccc1)[C@]1(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]1[C@@H]2OCc1ccccc1 ZINC000238750966 KJ Annotated Anodyne C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](O)[C@@H]2OC(C)=O ZINC000238750993 KJ Annotated Mild Cc1cc(=O)c(O)cc2c1C[C@@H]1C[C@@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@@]1(C)O2 ZINC000238751112 KJ Annotated Anodyne CC(=O)O[C@H](CC1=C(O)C(=O)OC1)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2ccccc2)[C@]1(C)O ZINC000238751752 KJ Annotated Anodyne COc1cc(OC(C)=O)c(OC(C)=O)c(CC=C(C)C)c1-c1coc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O ZINC000238751886 KJ Annotated Anodyne COc1cc(O)cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)NCCc4ccc(O)cc4)cc3[C@@H]2C(=O)NCCc2ccc(O)cc2)c1 ZINC000238751960 KJ Annotated Anodyne C=C(C1=CC(=O)C(C)(C)O1)[C@H]1CC=C([C@H]2CC[C@@H]3[C@]2(C)CC[C@@H]2C(C)(C)C(=O)[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)C[C@]23C)[C@@H](O)O1 ZINC000238752181 KJ Annotated Mild CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O ZINC000238752215 KJ Annotated Anodyne O=C1c2c(O)cc(O)cc2O[C@@]2(c3ccc(O)cc3)Oc3cc(O)c4c(c3[C@@H]12)O[C@@H](c1ccc(O)cc1)CC4 ZINC000238752285 KJ Annotated Anodyne CC(=O)O[C@H]([C@@H]1CC[C@]23C(=O)O[C@@](C)(CC[C@@H]2Br)[C@@H]13)[C@@]1(O)CC[C@H](Br)C(C)(C)C1 ZINC000238752302 KJ Annotated Reactive CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H]3c4cc5c(cc4CN4CCC(=C[C@H]2O)[C@@H]34)OCO5)[C@@H](O)[C@H](O)[C@H]1O ZINC000238752547 KJ Annotated Mild CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@](C)(O)[C@@]23C[C@@H]([C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3 ZINC000238752905 KJ Annotated Anodyne CO[C@H]1C[C@@]2(C)[C@H](C[C@@]3(O)C=C4C=CC(=O)OC(C)(C)[C@H]4CC[C@@H]32)C2=C1[C@@H](C)[C@H]1OC(=O)C(C)=C[C@H]1C2 ZINC000238752956 KJ Annotated Anodyne COC1=CC2=C3[C@H](Cc4cc5c(c(c4)Oc4ccc(cc4)C[C@H]4Cc6cc7c(cc6CN4C)OC[C@@]3(O7)C1=O)OCO5)N(C)CC2 ZINC000238753097 KJ Annotated Mild O=C([C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCC1)N1CCCC1 ZINC000238753132 KJ Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@](C)(O)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1 ZINC000238753871 KJ Annotated Anodyne COC(=O)/C(=C/c1ccc(OC)cc1)c1c(OC)cc(OC)c2c1O[C@@](Cc1ccc(OC)cc1)(OC)C2=O ZINC000238753954 KJ Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@@H]1OC(=O)c1cccnc1)C2(C)C ZINC000238754138 KJ Annotated Mild C=CC1=C(C)[C@@H](CC2=N/C(=C/c3[nH]c(/C=C4/NC(=O)[C@@H](C)/C4=C\C)c(C)c3CCC(=O)O)C(CCC(=O)OC)=C2C)NC1=O ZINC000238754189 KJ Annotated Anodyne CO[C@]1(C)CC(=O)c2c(cc3cc(O)c(-c4c(O)cc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(OC)C6)c(O)c3c2O)C1 ZINC000238754199 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@@H](C)[C@]1(C)O ZINC000238754926 KJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@]23C(=C[C@@H](OC(=O)CCC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000238755112 KJ Annotated Mild COc1c(Br)cc(Br)c(/C=C/N(C)C(=O)[C@@H]2CCCN2C)c1Br ZINC000238755570 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3/C[C@](C)(C(=O)C(=O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)C[C@H](c1ccccc1)N(C)C ZINC000238755712 KJ Annotated Mild C=C/C(C)=C\C[C@@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](O)[C@@]23C(=C[C@H](OC)C[C@H]21)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000238755729 KJ Annotated Anodyne COC1=C(Br)C[C@@]2(CC(C(=O)NCCCOc3c(Br)cc(CCN)cc3Br)=NO2)C(O)=C1Br ZINC000238756223 KJ Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@@H]2N=C(O[C@@H]2C)[C@H]([C@@H](C)CC)NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@@H]2N=C1O[C@@H]2C ZINC000238756496 KJ Annotated Anodyne C/C(CCCO)=C1/CO[C@@H](CC(C)C)/C1=C\[C@@H]1N=C2O[C@@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@H](OC(=O)[C@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000238756807 KJ 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(CO)OC(C)=O ZINC000238756869 KJ Annotated Anodyne COC(=O)C[C@@H]1C(C)=C/C(=C\C2=C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C2=CC[C@H]3c2ccoc2)C(=O)OC1(C)C ZINC000238756921 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]2(C)[C@H]3C[C@]4(OC(=O)C=C4C)O[C@H](O)C3=CC[C@H]2C1(C)C ZINC000238757427 KJ Annotated Anodyne CCC1=C(C)/C(=C/c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)[C@H](C)[C@H]4[C@H](C)OC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O ZINC000238757536 KJ Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)C(C)C)(C(=O)[C@@]2(O)C(=O)/C=C\C(C)(C)O)C1(C)C ZINC000238757717 KJ Annotated Mild CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000238757755 KJ Annotated Mild C[C@H]1O[C@H](C)[C@H]2OC3=CC(=O)c4c(O)c5c6c7c8c9c(c(O)c1c2c9c3c47)C(=O)C[C@@]8(O)O[C@H]6[C@@H](C)O[C@@H]5C ZINC000238758146 KJ Annotated Mild C=C1C[C@H]2C[C@H](O)C[C@H](OC)C[C@@H](c3coc(/C=C(\C)[C@@H](C)OC)n3)OC(=O)[C@@H](C)C[C@H](C)[C@@H](OP(=O)(O)O)C[C@@H](C1)O2 ZINC000238758286 KJ Annotated Mild CC(=O)O[C@H]1[C@H](C)/C=C/C(C)(C)C(=O)CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000238758339 KJ Annotated Mild CC(=O)O[C@@H]1[C@@H](OC(=O)[C@@H]2CC[C@@]3(C)C(C)=CCC[C@@H]3[C@@]2(C)CCc2ccoc2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238758350 KJ Annotated Anodyne C=CC1=C(C)/C(=C/C2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]2C)NC1=O ZINC000238758463 KJ Annotated Anodyne C/C(CCCO)=C1/CO[C@@H](CC(C)C)/C1=C\[C@@H]1N=C2O[C@H]1COC(=O)/C(CC(C)C)=C/C(=O)O[C@H]1[C@H](OC(=O)[C@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000238758523 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](O)C=C(C)C)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238758676 KJ Annotated Anodyne CC1=CCC[C@@H]2[C@@H](/C=C\C3=CC(=O)OC3)[C@@](C)(O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3cccnc3)[C@@]12C ZINC000238758906 KJ Annotated Anodyne CC1=CCC[C@@H]2[C@@H](/C=C/C3=CC(=O)OC3)[C@@](C)(O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3cccnc3)[C@@]12C ZINC000238758918 KJ Annotated Anodyne CC[C@H](C)[C@H]1NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)[C@@H]2N=C(O[C@H]2C)[C@H]([C@H](C)CC)NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@@H]2N=C1O[C@H]2C ZINC000238758948 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@H]1[C@H](c2ccc(O)cc2)O[C@@H]2c3c(O)cc(O)cc3O[C@@H](c3ccc(O)cc3)[C@@H]21 ZINC000238759100 KJ Annotated Anodyne C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@](C)(OC(=O)C(C)C)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238759145 KJ Annotated Mild C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(=O)c3cccnc3)[C@](C)(OC(=O)C(C)C)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(=O)C(C)C ZINC000238759169 KJ Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C=C3CCN4Cc5cc6c(cc5[C@H]2[C@H]34)OCO6)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238759293 KJ Annotated Mild CCC/C=C\C=C/CCc1cc(OC(=O)c2c(CC/C=C\C=C/CCC)cc(O)c([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2O)cc(O)c1C(=O)O ZINC000238759672 KJ Annotated Anodyne CCCC(=O)O[C@@H]1C[C@]2(C)[C@@H](OC(=O)CCC)[C@H](O)[C@H](OC(C)=O)C(C)=C[C@H]2[C@@H]2[C@H](C(C)C)[C@H](OC(C)=O)C[C@]12C ZINC000238759744 KJ Annotated Anodyne COc1cc2c(c(O)c1-c1c(OC)cc3cc4c(c(O)c3c1OC)C(=O)C[C@@](C)(O)C4)C(=O)c1c(O)cc(C)cc1C2=O ZINC000238759967 KJ Annotated Clean CC[C@@H](C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3Cc4c(cc(O)c(-c5ccoc5)c4C)[C@]3(C)[C@H](O)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000238760426 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)C([C@H]1C(=O)Oc3cccc(C)c3[C@@H]1O)=C(c1c(O)c3c(C)cccc3oc1=O)C2=O ZINC000238760498 KJ Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O)OCO3 ZINC000238760657 KJ Annotated Anodyne COc1ccc2cc1C(=O)OC[C@H]1O[C@H](Oc3cc4c(c(OC)c3C)C(=O)C[C@H](O4)c3ccc(OC)c-2c3)[C@H](OC)[C@H](OC)[C@H]1OC ZINC000238760783 KJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238760948 KJ Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]2(C)[C@H]3C[C@]4(OC(=O)C=C4C)O[C@@H](O)C3=CC[C@H]2C1(C)C ZINC000238761489 KJ Annotated Anodyne C=C(CC/C=C/C=C/C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)[C@H](C)[C@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000238761570 KJ Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H]2[C@]3(CC[C@@H](C)[C@]24C[C@H](c2ccoc2)OC4=O)COC(=O)[C@@H]3[C@@H]1OC(=O)[C@H](C)CC ZINC000238762012 KJ Annotated Anodyne CC(=O)c1cc(-c2c(C(C)=O)cc3c(=O)c4c(C(=O)O)c(O)c(O)cc4oc3c2C(C)=O)cc(Oc2cc(O)c(O)cc2O)c1O ZINC000238762134 KJ Annotated Clean CO/C(=C\C(=O)O)[C@H]1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)[C@H]6/C(=C\C(=O)O)OC)c(O)c3c(O)c2C(=O)C[C@]1(C)O ZINC000238762361 KJ Annotated Anodyne CO/C(=C\C(=O)O)[C@H]1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)[C@H]6/C(=C/C(=O)O)OC)c(O)c3c(O)c2C(=O)C[C@]1(C)O ZINC000238762378 KJ Annotated Anodyne C=C1C[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@]2(O)C[C@@](C)(O)[C@H](OC(=O)c3ccccc3)[C@H]2[C@@H]1OC(C)=O ZINC000238762388 KJ Annotated Mild C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@@H]1OC(=O)/C(C)=C\C ZINC000238763235 KJ Annotated Mild CC/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(C)(C)[C@@H](O)CC(=O)O1 ZINC000238763828 KJ 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@@]21OC(C)=O ZINC000238763948 KJ Annotated Anodyne Oc1ccc([C@H]2Oc3c(ccc(O)c3O)[C@H](c3cc4c(c(O)c3O)O[C@H](c3ccc(O)cc3)[C@@H](O)[C@@H]4c3cc4c(c(O)c3O)O[C@H](c3ccc(O)cc3)[C@H](O)[C@@H]4O)[C@@H]2O)cc1 ZINC000238763978 KJ Annotated Clean CCCCC[C@@H]1CCCCCCCCCCCC(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CO)O[C@H]2O1 ZINC000238764338 KJ Annotated Anodyne CC(C)=C[C@@H]1C2=C(C(=O)c3c(O)ccc(O)c3C2=O)[C@@H](C=C(C)C)[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]12 ZINC000238764374 KJ Annotated Mild CCC1=C[C@@H](/C(C)=C/[C@@](C)(O)CC[C@H](OC)[C@H](C)[C@H](O)[C@@H](C)/C=C2\OC(C)=CC2=O)O[C@@H]([C@@H](C)C(=O)O)C1 ZINC000238764464 KJ Annotated Mild C=CC1=C(C)/C(=C/C2=N/C(=C3/CC(=O)c4c3[nH]c(Cc3[nH]c(C=O)c(C=O)c3CC)c4C)[C@@H](CCC(=O)OC)[C@@H]2C)NC1=O ZINC000238764487 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O)OCO3 ZINC000238764705 KJ Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](O)CC2)N31 ZINC000238764750 KJ Annotated Anodyne O=C([C@@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@@H](C(=O)N2CCCC2)[C@H]1/C=C\c1ccc2c(c1)OCO2)N1CCCC1 ZINC000238764800 KJ 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@@]21OC(C)=O ZINC000238764819 KJ Annotated Anodyne CC(=O)Oc1ccc(O[C@H]2[C@@H](C)C[C@]3(OC(C)=O)C(=O)/C(C)=C/[C@@H]4[C@H](CC[C@@]5(CO5)[C@@H](OC(C)=O)[C@@H]23)C4(C)C)cc1 ZINC000238764828 KJ Annotated Mild C=C/C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)CCC1=C(C)C(=O)OC1=O)CC ZINC000238765491 KJ Annotated Reactive CC[C@H](O)c1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc([C@@H](O)CC)cc31)c1cc(O)cc(O)c1C2=O ZINC000238765508 KJ Annotated Anodyne COC(=O)CC1=C2C[C@@H]3C(=O)[C@](C)([C@H]2CC[C@@]1(C)[C@@H](OC)c1ccoc1)[C@H]([C@@H](O)C(=O)OC)C(C)(C)[C@@H]3OC(=O)C(C)C ZINC000238765543 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]1C ZINC000238765645 KJ Annotated Bother CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C\C(=O)C/C(C)=C\[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000238765703 KJ Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C\C(=O)C/C(C)=C\[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000238765719 KJ Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C/C(=O)C/C(C)=C\[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000238765730 KJ Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C/C(=O)C/C(C)=C\[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000238765747 KJ Annotated Mild CC(=O)O[C@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21O ZINC000238765800 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2O)OCO3)[C@H](OC(=O)CC)[C@H](C)[C@]1(C)O ZINC000238765801 KJ Annotated Anodyne CC[C@@]1(O)C[C@@H]([C@H]2C[C@](O)(CC)[C@H](C(=O)OC)c3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC ZINC000238765956 KJ Annotated Clean CCCCCCCCCCCC(=O)N(O)CCCC[C@@H](NC(=O)[C@@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238766330 KJ Annotated Mild Cc1cc2cc3[nH]c(cc4nc(cc5cc(C)c(cc1n2)[nH]5)C(=O)[C@@]4(C)[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O)cc3C ZINC000238766591 KJ Annotated Bother C=C(C(=O)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@@H]2C(=O)c1ccc(O)cc1O)c1ccc(O)cc1 ZINC000238767596 KJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)C(C)C)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238768161 KJ Annotated Mild Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@H](SCc1ccccc1)[C@@H](O)[C@@H](c1cc(O)c(O)c(O)c1)O2 ZINC000238768180 KJ Annotated Clean CC(C)C(=O)O[C@H]1C[C@@H]2[C@@]3(C)C=CC(=O)OC(C)(C)[C@@H]3C[C@@H](O)[C@@]2(C)[C@@H]2C(=O)C[C@@H](c3ccoc3)[C@]12C ZINC000238768370 KJ Annotated Anodyne COC(=O)CC1=C2C[C@@H]3C(=O)C(C)(C)[C@@H](CC(=O)OC)[C@@](C)(C3=O)[C@@H]2CC[C@@]1(C)[C@@H](OC)c1ccoc1 ZINC000238768764 KJ Annotated Anodyne C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H](C)CCO[C@@H]2OC[C@H](OC(=O)C=C(C)C)[C@H](O)[C@H]2O)[C@@]1(C)CCC(=O)O ZINC000238769105 KJ Annotated Mild CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@H](O)[C@@](C)(O)CC[C@@](O)(CC(=O)O)[C@@](C)(O)CC[C@H](O)C(C)(C)O ZINC000238769573 KJ Annotated Anodyne CCCCCC[C@@H]1CCCCCCCCCCC(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2O1 ZINC000238769585 KJ Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@H](O)[C@@](C)(O)CC[C@@](O)(CC(=O)O)[C@@](C)(O)CC[C@H](O)C(C)(C)O ZINC000238769587 KJ Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@H](O)[C@@](C)(O)CC[C@@](O)(CC(=O)O)[C@@](C)(O)CC[C@H](O)C(C)(C)O ZINC000238769603 KJ Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H](O)[C@@](C)(O)CC[C@@](O)(CC(=O)O)[C@@](C)(O)CC[C@H](O)C(C)(C)O ZINC000238769617 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)c2ccccc2)[C@]23C(=C[C@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000238769815 KJ Annotated Anodyne COc1ccc(-c2coc3c4c(ccc3c2=O)O[C@H](c2ccc(OC(C)=O)c(OC)c2)[C@@H](COC(C)=O)O4)cc1OC ZINC000238769885 KJ Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](OC(=O)c2cccnc2)[C@]23CO[C@](C)(C(=O)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CCC)[C@H]4[C@H]2OC(=O)CCC)[C@H]13 ZINC000238770009 KJ Annotated Mild CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C5=C[C@@H]([C@H]6OC6(C)C)OC5=O)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000238770465 KJ Annotated Anodyne C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(ccc([C@H]2C[C@@](C)(N(C)C)[C@H](OC(C)=O)[C@@H](C)O2)c1O)C3=O ZINC000238770539 KJ Annotated Clean C=C(C)[C@H]1C=C[C@@H](OC(=O)c2cccnc2)[C@@]23CO[C@@](C)(C(=O)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CCC)[C@@H]4[C@H]2OC(=O)CCC)[C@H]13 ZINC000238770966 KJ Annotated Mild CCC[C@]1(O)Cc2cc3ccc4c(O)c5c(cc4c3c(O)c2C(=O)O1)C(C)(C)c1cc(O)cc(O)c1C5=O ZINC000238771083 KJ Annotated Bother COc1c(Br)c(C[C@H](Br)CBr)c(Br)c2c1OCO2 ZINC000238771187 KJ Annotated Reactive C/C(=C\CC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)C(=O)O)CO ZINC000238771289 KJ Annotated Anodyne C=C(C)[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@]3(C)CC[C@H]2[C@@]1(C)[C@H](CC(=O)OC)OC(C)=O ZINC000238771578 KJ Annotated Mild C/C=C(/C)C(=O)[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@]1(C)O ZINC000238771762 KJ Annotated Mild CC(=O)[C@H]1c2c(c(O)c3c(O)cccc3c2-c2c3c(c(O)c4c(O)cccc24)C(=O)[C@](C)(O)C[C@H]3C(C)=O)C(=O)C[C@]1(C)O ZINC000238771807 KJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238771821 KJ Annotated Mild C=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000238772016 KJ Annotated Mild COC(=O)/C(=C/c1ccc(OC)cc1)c1c(OC)cc2c(c1OC)C(=O)[C@](Cc1ccc(OC)cc1)(OC)O2 ZINC000238772141 KJ Annotated Anodyne CC/C=C\C[C@@H](O)/C=C/[C@H](O)[C@H](O)CCCCCCCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000238772296 KJ Annotated Anodyne CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238772301 KJ Annotated Anodyne COC1=C(OC)C(=O)[C@]23COc4c5c(cc(c42)[C@@H](OC(=O)c2ccccc2)[C@H](C)[C@](C)(O)[C@H](OC(=O)c2ccccc2)C3=C1)OCO5 ZINC000238772485 KJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)CC)[C@H](C)[C@]1(C)O ZINC000238772534 KJ Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1/NC(=O)[C@@H]2C[C@]3(O)c4cccc(CC=C(C)C)c4N[C@@H]3N2C1=O ZINC000238772547 KJ Annotated Mild C=C(C)C(=O)O[C@H]1[C@]2(C)C[C@@]3(OC(C)=O)[C@](C)(C4=C(C[C@@]13OC(C)=O)C1=C(O)C(=O)O[C@@H](c3ccoc3)[C@]1(C)CC4)[C@H]2CC(=O)OC ZINC000238772666 KJ Annotated Mild COC(=O)c1cc2cc3cc4cc(CC(=O)O)c(/C(O)=C/C(=O)c5ccccc5O)c(OC)c4c(OC)c3c(O)c2c(=O)o1 ZINC000238772697 KJ Annotated Mild C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1O[C@H]2[C@](C)(OC(=O)CCC)CC[C@H](OC(C)=O)[C@@](C)(O)[C@H]1OC(=O)CCC ZINC000238772813 KJ Annotated Mild 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@@]21OC(C)=O ZINC000238773110 KJ Annotated Anodyne C=C/C=C/CC(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6[C@@H]2OC2(C)C)[C@H]13 ZINC000238773166 KJ Annotated Anodyne COC(=O)C(C)(C)[C@H](O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)C[C@H](C)C(Cl)(Cl)Cl ZINC000238773182 KJ Annotated Anodyne O=C(Cc1ccccc1)O[C@H]1C=COC=C2C[C@@]34SS[N+]5(C3=O)[C@@H](C[C@@H]3CCC[C@H](OC(=O)Cc6ccccc6)[C@H]35)C(=O)N4[C@@H]21 ZINC000238773199 KJ Annotated Reactive C=C/C(C)=C\C[C@@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000238773291 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(=O)c1ccoc1 ZINC000238773385 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC(C)C)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000238773649 KJ Annotated Anodyne COc1ccc([C@@H]2OC3=CC(=O)C4=C(O[C@@H](c5ccc(OC)cc5)CC4)[C@@]34Oc3cc(OC)cc(OC)c3C(=O)[C@@]24O)cc1 ZINC000238773858 KJ Annotated Mild CCCCC/C=C\CC/C=C/C=C/C(=O)OC[C@]1(CO)[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 ZINC000238773904 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@H]2O)c(=O)o1)CO ZINC000238773943 KJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@]23C(=C[C@@H](OC(=O)CC(C)C)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000238774147 KJ 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)OC(C)=O)[C@H]12 ZINC000238774202 KJ Annotated Anodyne CC(=O)OC/C1=C\C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@@H]1OC(C)=O)C2(C)C ZINC000238774344 KJ Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O ZINC000238774467 KJ Annotated Anodyne CCC1=C(C)[C@@H](Cc2[nH]c(/C=C3/N=C(C[C@H]4NC(=O)C(C)=C4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O ZINC000238774665 KJ Annotated Anodyne COC1=C(Br)C[C@@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCN/C=C3/C(=O)C[C@H](Cl)C3=O)cc1Br)[C@H]2O ZINC000238774825 KJ Annotated Reactive COC1=C(Br)C[C@@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCN/C=C3\C(=O)C[C@H](Cl)C3=O)cc1Br)[C@H]2O ZINC000238774832 KJ Annotated Reactive O=C(O)C[C@@H]1c2c(O)cc(O)c([C@H]3c4c(O)cc5c(c4O[C@H](c4ccc(O)cc4)[C@@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O5)[C@@H]3O)c2O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O ZINC000238774945 KJ Annotated Clean C=C(C[C@@H](OC(C)=O)[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000238774960 KJ Annotated Mild CC(=O)O[C@H]1/C=C(\COC(=O)C[C@@](C)(O)CC(=O)O)CC/C=C(\C)CC[C@H]2[C@H](C(C)(C)OC(C)=O)CC[C@]12C ZINC000238775162 KJ Annotated Anodyne O=C(O[C@@H]1[C@@H](SCc2ccccc2)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 ZINC000238775432 KJ Annotated Clean C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)[C@]3(C)O[C@]3([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000238775437 KJ Annotated Mild CC(C)[C@@H]1OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000238776067 KJ Annotated Anodyne COC(=O)CNC(=O)CCC/C=C\NC(=O)/C=C(C)/C=C/[C@@H](C)[C@@H](OC)[C@@H](C)[C@@H](/C=C/c1ccccc1)OC ZINC000238776320 KJ Annotated Anodyne CC(=O)OC/C=C(\CC[C@@]1(C)[C@H](CO[C@H]2OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)CC[C@@]2(C)C(C)=CCC[C@@H]21)COC(C)=O ZINC000238776828 KJ Annotated Anodyne C[C@H]1CC(=O)N2CCCC3=C(C1)[C@@H]([C@H]1C(=O)[C@@H]4CCCN5CCCC4=C1C[C@@H](C)CC5=O)C(=O)[C@@H]3CCC2 ZINC000238776883 KJ Annotated Anodyne COC(=O)/C(=C\c1ccc(OC)cc1)c1c(OC)cc2c(c1OC)C(=O)[C@](Cc1ccc(OC)cc1)(OC)O2 ZINC000238777162 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@]2(C)O[C@]3(CC[C@]2(C)[C@H]2[C@H](OC(=O)c4ccccc4)CC=C(C)[C@@]21C)COC(=O)C3 ZINC000238777258 KJ Annotated Anodyne COc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C(=O)[C@H](C)CC3=O ZINC000238777334 KJ Annotated Clean 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(CO)OC(C)=O ZINC000238777348 KJ Annotated Anodyne C=C[C@](C)(O)CC[C@@H]1C(=C)[C@H](O)C[C@H]2C(C)(C)[C@H](O)[C@H](OC(=O)/C(C)=C\C)C[C@]12COC(=O)[C@H](C)CC ZINC000238777356 KJ Annotated Mild C=C1C[C@@H]2OC(=O)[C@@]3(C[C@@]45C(=C(C)[C@@H]3[C@@H]4OC(C)=O)C[C@H]3C(=C)C(=O)O[C@@H]3C[C@H]5C)[C@@H]2C=C1[C@@H](C)CCCO ZINC000238777366 KJ Annotated Mild CC(=O)O[C@@H](C)[C@@H]1c2cc3ccc(-c4ccc5c(c4O)C(=O)c4c(O)cc(C)c(C(C)=O)c4C5=O)c(O)c3c(O)c2C(=O)C[C@]1(C)O ZINC000238777473 KJ Annotated Clean CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21O ZINC000238777574 KJ Annotated Anodyne CCC/C=C/C=C/CCc1cc(OC(=O)c2c(CC/C=C/C=C/CCC)cc(O)c([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2O)cc(O)c1C(=O)O ZINC000238777910 KJ Annotated Anodyne O=c1cc(CCc2ccccc2)oc2c1[C@H](Oc1cc3oc(CCc4ccccc4)cc(=O)c3cc1O[C@@H]1c3c(oc(CCc4ccccc4)cc3=O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)[C@H](O)[C@H]2O ZINC000238777923 KJ Annotated Anodyne C=Cc1c(C)c2n(c1/C=C1\NC(=O)C(CCC(=O)OC)=C1C)CCC1=C(C)C(/C=C3\NC(=O)C(CCC(=O)OC)=C3C)=NC1=C2 ZINC000238777976 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3Cc4c(cc(OC)c(-c5ccoc5)c4C)[C@]3(C)[C@H](O)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000238778154 KJ Annotated Anodyne C=C/C(C)=C/C[C@]1(C)[C@@H](C)C[C@H](OC(=O)C[C@@H](O)CCCCC)[C@]23C(=C[C@@H](O)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000238778200 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)C(=O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)/C=C\c1ccccc1 ZINC000238778787 KJ Annotated Mild CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@H](O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238778949 KJ Annotated Anodyne COC(=O)CCc1c(CC(=O)OC)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)c(CCC(=O)OC)c5CC(=O)OC)[C@@]1(C)CC(=O)O[C@@]41CCC(=O)OC)[C@@](C)(CC(=O)OC)[C@@H]3CCC(=O)OC ZINC000238779103 KJ Annotated Bother CC(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@]2(C)[C@@H]2C(=O)CC(C)=CCC(=O)[C@@]12O ZINC000238779252 KJ Annotated Anodyne C[C@H]1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5cc6c(cc45)O[C@H](C)CC6=O)c(O)cc(O)c3c2O)O1 ZINC000238779346 KJ Annotated Anodyne C=C1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(=O)c3cccnc3)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(=O)C(C)C ZINC000238779620 KJ Annotated Mild COc1cc(O)c2cc3c(c(-c4c(OC)cc5cc6c(c(O)c5c4O)C(=O)C[C@@](C)(O)C6)c2c1)C[C@](C)(O)CC3=O ZINC000238779679 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)[C@]4(C)C=O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000238779789 KJ Annotated Mild CCCCCCCC(=O)OCC/C=C/[C@H](O)[C@H](O)[C@@H]1OC(=O)/C=C\C=C\c2nc(oc2C)/C=C(/C)CC[C@@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238779907 KJ Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@H](Oc2c(C(C)C)ccc(C)c2OC(C)=O)O[C@@H](C)[C@@H](OC(C)=O)[C@@H]1OC(=O)CC(C)C ZINC000238780278 KJ Annotated Anodyne C=C(CC/C=C(/CC/C=C(\C)COC(C)=O)COC(C)=O)C(=O)CC/C(=C\COC(C)=O)COC(C)=O ZINC000238780561 KJ Annotated Mild C=C/C(C)=C/C[C@]1(C)[C@@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(=O)c4ccccc4)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000238780594 KJ Annotated Anodyne COC(=O)[C@@H]1CS[C@H]([C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)N1 ZINC000238780905 KJ Annotated Reactive C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)OC(C)=O)C(=O)O[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238781046 KJ Annotated Mild O=C([C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)[C@@H](/C=C\c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCC1)N1CCCC1 ZINC000238781070 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](C)O[C@H]1OCc1ccc([N+](=O)[O-])cc1 ZINC000238781075 KJ Annotated Bother C=CC1=C(C)[C@@H](CC2=N/C(=C/c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C/C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000238781180 KJ Annotated Anodyne C=CC1=C(C)[C@@H](CC2=N/C(=C/c3[nH]c(/C=C4/NC(=O)[C@H](C)/C4=C\C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000238781184 KJ Annotated Anodyne C=C(C)[C@@H]1Cc2c(c(Cc3c(OC(C)=O)c(C)c(CC)oc3=O)c(OC(C)=O)c(C(=O)[C@H](C)CC)c2OC(C)=O)O1 ZINC000238781295 KJ Annotated Mild CCCCC/C=C\CCC(=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 ZINC000238781384 KJ Annotated Anodyne COC(=O)[C@@]12C(=O)C3=C([C@@H](C)[C@]1(C)CC[C@H]2C)[C@H](O)C[C@@H](C1=CC(=O)[C@@]2(C(=O)OC)[C@H](C)CC[C@@]2(C)[C@@H]1C)C3 ZINC000238781413 KJ Annotated Mild CC1=CC[C@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)[C@@H](O)C[C@]5(C)C4=CC[C@]23C)OC1=O ZINC000238781708 KJ Annotated Anodyne CC[C@@H]1CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](NC(=O)NCCc3ccccc3)[C@H]2O)CC1 ZINC000238781950 KJ Annotated Anodyne COC(=O)CCc1c(CC(=O)OC)c2cc3nc(cc4[nH]c(c(CC(=O)OC)c4CCC(=O)OC)c(Cl)c4[nH]c(cc1n2)c(CC(=O)OC)c4CCC(=O)OC)c(CC(=O)OC)c3CCC(=O)OC ZINC000238782067 KJ Annotated Bother CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@]45CC[N+]6(C)C/C(=C/CO)[C@H](C[C@@H]46)[C@H]([C@H]35)[C@H]1O)-c1[nH]c3cccc(OC)c3c1CC2 ZINC000238782140 KJ Annotated Clean CO[C@@H]1[C@H]2C(=O)c3c(O)c(CC=C(C)C)c4c(c3O[C@@]23[C@H]2C[C@]1(OC)C(=O)[C@]3(C/C=C(/C)C(=O)O)OC2(C)C)C(C)(C)[C@@H](C)O4 ZINC000238782509 KJ Annotated Anodyne O=C(c1c(O)cc(O)cc1O)c1c(-c2ccc(O)cc2)oc2c(O)cc3c(c12)O[C@H](c1ccc(O)cc1)[C@@H](O)C3 ZINC000238782534 KJ Annotated Anodyne CC[C@H](O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc([C@@H](O)CC)cc31)c1cc(O)cc(O)c1C2=O ZINC000238782576 KJ Annotated Anodyne C=Cc1c(C)c2[nH]c1=CC1=NC(=Cc3[nH]c(c(C(=O)O)c3C)C(CC(=O)O)=C3NC(=C(C)[C@@H]3CCC(=O)O)C=2)C(CC)=C1C ZINC000238782695 KJ Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](O)[C@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N13 ZINC000238783255 KJ Annotated Anodyne C=C1CC[C@H]2[C@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4cccnc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000238783578 KJ Annotated Mild C=CC1=C(C)[C@@H](CC2=N/C(=C\c3[nH]c(/C=C4/NC(=O)[C@H](C)/C4=C\C)c(C)c3CCC(=O)O)C(CCC(=O)OC)=C2C)NC1=O ZINC000238784025 KJ Annotated Anodyne C=CC1=C(C)[C@@H](CC2=N/C(=C/c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C/C)c(C)c3CCC(=O)O)C(CCC(=O)OC)=C2C)NC1=O ZINC000238784030 KJ Annotated Anodyne C=CC1=C(C)[C@@H](CC2=N/C(=C/c3[nH]c(/C=C4/NC(=O)[C@H](C)/C4=C\C)c(C)c3CCC(=O)O)C(CCC(=O)OC)=C2C)NC1=O ZINC000238784034 KJ Annotated Anodyne CCC(c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000238784149 KJ Annotated Clean CC[C@@]1(C)CC(=O)[C@@H]2[C@]3(C)[C@@H](C[C@@H](OC(C)=O)[C@@]2(O)C1=O)C(C)(C)[C@H](OC(=O)c1ccccc1)[C@H](OC(C)=O)[C@@H]3OC(=O)c1ccccc1 ZINC000238784406 KJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)C[C@@H](O)[C@]3(C)C2=O)[C@]1(C)CCOC(C)=O)C(C)C ZINC000238784459 KJ Annotated Mild O=C1C[C@@H]2c3c(cc(O)c([C@H]4c5c(O)cc6c(c5O[C@H](c5ccc(O)cc5)[C@@H]4O)[C@H]4c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O6)[C@@H]4O)c3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)O1 ZINC000238784535 KJ Annotated Clean COC(=O)C[C@@H]1C(C)=C/C(=C/C2=C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C2=CC[C@H]3c2ccoc2)C(=O)OC1(C)C ZINC000238784965 KJ Annotated Anodyne COC(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)/C=C(\C)[C@@]12O[C@@H]1C[C@@H](c1ccoc1)[C@]2(C)[C@@H](O)COC(=O)C(C)C ZINC000238785038 KJ Annotated Mild COC(=O)C[C@@H]1C(C)=C[C@H](CC2=C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C2=CC[C@H]3c2ccoc2)C(=O)OC1(C)C ZINC000238785107 KJ Annotated Anodyne CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238785244 KJ Annotated Anodyne C=C1[C@@H](OC(=O)c2cccnc2)[C@@H]2[C@H](OC(=O)C(C)C)[C@@](C)(OC(C)=O)C[C@@]2(O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@@H](OC(=O)c2cccnc2)[C@@H](OC(C)=O)[C@@H]1OC(=O)C(C)C ZINC000238785285 KJ Annotated Mild CC(=O)O/C=C(/C=C/OC(C)=O)[C@@H](C/C=C(\CO)C[C@@H](/C=C(\C)CCC=C(C)C)OC(C)=O)OC(C)=O ZINC000238785423 KJ Annotated Anodyne COC(=O)C[C@@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@]2(C)[C@@H]1CC=C1[C@H]3[C@@](C(=O)OC)(CC[C@]12C)[C@@H](O)C[C@@H](C)[C@@]3(C)O ZINC000238785514 KJ Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC(CC4=CC[C@@]5(CCO)CC(C(=O)OC)=C6Nc7ccccc7[C@@]67CCN4[C@@H]57)=C[C@@](CCO)(C1)[C@H]23 ZINC000238785609 KJ Annotated Anodyne COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@@H](OC(C)=O)c2ccc(O[C@@H](COC(C)=O)[C@H](OC(C)=O)c3ccc(OC(C)=O)c(OC)c3)c(OC)c2)ccc1OC(C)=O ZINC000238785675 KJ Annotated Anodyne CC[C@@H]1C[C@H](C)CC(=O)N(C)/C=C\CC[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H]([C@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O1 ZINC000238785753 KJ Annotated Anodyne CC[C@@H]1C[C@H](C)CC(=O)N(C)/C=C/CC[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H]([C@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O1 ZINC000238785754 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000238785863 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000238785864 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)\C=C/[C@H](O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000238785866 KJ Annotated Anodyne C/C(=C/[C@H](C)C[C@H](C)OC(=O)CC(=O)c1ccc(O)c(O)c1)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(N)=O ZINC000238785943 KJ Annotated Clean CCCCCC[C@H](/C=C(/C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@]12O)CO ZINC000238785981 KJ Annotated Anodyne C/C=C1/CNCC[C@@H]1[C@](CO)(C(=O)OC)c1[nH]c2ccccc2c1CN1CC[C@H]2[C@@H]3CCOC[C@@]2(C(=O)OC)c2[nH]c4ccccc4c2[C@@H]31 ZINC000238786241 KJ Annotated Anodyne [O-][N+]12CCC[C@]3(O)CCCCCC[C@@H]4CC[N+]5([O-])CCC[C@](O)(CCCCCC[C@H](CC1)O[C@H]32)[C@H]5O4 ZINC000238786260 KJ Annotated Bother CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000238786737 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000238786738 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)\C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000238786740 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)\C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000238786741 KJ Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C(C[C@H]4CN5CC[C@]67C(=C(C(=O)OC)C[C@@]8(CCO[C@@H]48)[C@H]56)Nc4ccccc47)=CC[C@@](CCO)(C1)[C@H]23 ZINC000238786813 KJ Annotated Anodyne CCCCCCCC(=O)OCC/C=C\[C@H](O)[C@H](O)[C@@H]1OC(=O)/C=C\C=C/c2nc(oc2C)/C=C(/C)CC[C@@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238787631 KJ Annotated Mild CCCCCCCC(=O)OCC/C=C/[C@H](O)[C@H](O)[C@@H]1OC(=O)/C=C\C=C/c2nc(oc2C)/C=C(/C)CC[C@@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238787632 KJ Annotated Mild CCCCCCCC(=O)OCC/C=C\[C@H](O)[C@H](O)[C@@H]1OC(=O)/C=C\C=C/c2nc(oc2C)/C=C(\C)CC[C@@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238787633 KJ Annotated Mild CCCCCCCC(=O)OCC/C=C/[C@H](O)[C@H](O)[C@@H]1OC(=O)/C=C\C=C/c2nc(oc2C)/C=C(\C)CC[C@@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238787634 KJ Annotated Mild CCC/C=C\C=C/CCc1cc(O)c([C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CC/C=C\C=C\CCC)c1 ZINC000238787668 KJ Annotated Anodyne CCC/C=C\C=C/CCc1cc(O)c([C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CC/C=C/C=C\CCC)c1 ZINC000238787670 KJ Annotated Anodyne CCC/C=C\C=C/CCc1cc(O)c([C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CC/C=C/C=C/CCC)c1 ZINC000238787671 KJ Annotated Anodyne C=Cc1c(C)c2n(c1/C=C1/NC(=O)C(CCC(=O)OC)=C1C)CCC1=C(C)C(/C=C3\NC(=O)C(CCC(=O)OC)=C3C)=NC1=C2 ZINC000238787672 KJ Annotated Anodyne C=Cc1c(C)c2n(c1/C=C1\NC(=O)C(CCC(=O)OC)=C1C)CCC1=C(C)C(/C=C3/NC(=O)C(CCC(=O)OC)=C3C)=NC1=C2 ZINC000238787673 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@]1(C)O ZINC000238787878 KJ Annotated Anodyne CC(C)(O)CCC[C@]1(C)Oc2c(O)c(CCC(C)(C)O)c3cc(-c4cc(O)cc(O)c4)oc3c2C[C@@H]1O ZINC000238788077 KJ Annotated Anodyne CC(C)(O)CCc1c(O)c2c(c3oc(-c4cc(O)cc(O)c4)cc13)C=C[C@@](C)([C@@H](O)CCC(C)(C)O)O2 ZINC000238788147 KJ Annotated Anodyne CC(=O)OC/C1=C/[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(C)=O)C[C@@]2(OC(C)=O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H]1OC(=O)C(C)C ZINC000238788541 KJ Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3Cc4c(cc(OC)c(-c5ccoc5)c4C)[C@]3(C)[C@H](O)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000238789279 KJ Annotated Anodyne C=C(O[C@H]1C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@H]12)c1ccccc1 ZINC000238789496 KJ Annotated Mild CC[C@H](C)C[C@@H](C)/C=C(C)\C=C\C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C[C@H](O)C[C@@H]4C)OC=C3[C@@H]12 ZINC000238789520 KJ Annotated Mild COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc3c4c2OC[C@@H]4[C@@H](c2ccc(OC)c(OC)c2)O3)ccc1O ZINC000238789774 KJ Annotated Anodyne CC(=O)OC/C1=C/[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(C)=O)C[C@@]2(OC(C)=O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(=O)C(C)C ZINC000238789780 KJ Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(NC(=O)c2cccs2)c1 ZINC000245245314 KJ Annotated Anodyne CN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000002500046 KJ Annotated Anodyne CCc1ccc(NC(=O)Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 ZINC000250506748 KJ Annotated Anodyne CN[C@@H]1[C@H](O)C[C@H](O[C@@H]2C/C=C(\C)C/C(C)=C/C=C/CC[C@H](C)CNC(=O)/C=C/C=C/[C@@H]2C)O[C@@H]1C ZINC000251777187 KJ Annotated Anodyne CN[C@H]1[C@H](C)O[C@@H](O[C@@H]2C/C=C(\C)C/C(C)=C/C=C/CC[C@H](C)CNC(=O)/C=C/C=C/[C@H]2C)C[C@H]1O ZINC000251777219 KJ Annotated Anodyne CN[C@H]1[C@H](C)O[C@@H](O[C@@H]2C/C=C(\C)C/C(C)=C/C=C/CC[C@H](C)CNC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O ZINC000251777224 KJ Annotated Anodyne CN[C@@H]1[C@H](O)C[C@H](O[C@@H]2C/C=C(\C)C/C(C)=C/C=C/CC[C@H](C)CNC(=O)/C=C/C=C/[C@H]2C)O[C@@H]1C ZINC000251777229 KJ Annotated Anodyne CC[n+]1c(/C=C/C=C2/Oc3ccccc3N2CCCCCC(=O)ON2C(=O)CCC2=O)oc2ccccc21 ZINC000253387945 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000253390553 KJ Annotated Mild CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000253483535 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000253483536 KJ Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(Cc3ccc(F)cc3)C(=O)[C@H]24)c1 ZINC000253483537 KJ Annotated Anodyne CCOc1cc2nc(=S)n(Cc3ccc(C(=O)NCCCN(CC)CC)cc3)c(O)c2cc1OCC ZINC000253496871 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1CN([C@H]1C[C@H]2CC(C#N)=CC=C2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000253632374 KJ Annotated Reactive COc1ccc(OC[C@@H](O)CN(C[C@H](O)COc2ccc(OC)cc2)[C@@H](C)CO[C@@H](C)CO[C@@H](C)COC[C@@H](C)N(C[C@H](O)COc2ccc(OC)cc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000253632448 KJ Annotated Anodyne COc1ccc(OC[C@@H](O)CN(C[C@@H](O)COc2ccc(OC)cc2)[C@@H](C)CO[C@@H](C)CO[C@@H](C)COC[C@@H](C)N(C[C@H](O)COc2ccc(OC)cc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000253632449 KJ Annotated Anodyne COc1ccc(OC[C@@H](O)CN(C[C@@H](O)COc2ccc(OC)cc2)[C@H](C)COC[C@H](C)OC[C@H](C)OC[C@H](C)N(C[C@@H](O)COc2ccc(OC)cc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000253632450 KJ Annotated Anodyne COc1ccc(OC[C@@H](O)CN(C[C@H](O)COc2ccc(OC)cc2)[C@H](C)CO[C@@H](C)CO[C@@H](C)COC[C@@H](C)N(C[C@H](O)COc2ccc(OC)cc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000253632451 KJ Annotated Anodyne CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN([C@@]1(C)C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000253632490 KJ Annotated Anodyne CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN([C@]1(C)C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000253632491 KJ Annotated Anodyne C=CCCN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000253633255 KJ Annotated Mild C=C(CF)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000253633634 KJ Annotated Mild CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(OCc4ccccn4)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000253633731 KJ Annotated Anodyne CCc1c(C)nc(O)c(NC(=O)CCCC(=O)NCCCCNC(=O)CCOC[C@@H]2O[C@H](n3cc(C)c(O)nc3=O)C[C@H]2N=[N+]=[N-])c1Cc1cc(C)cc(C)c1 ZINC000253634214 KJ Annotated Clean O=C(O)CCCCCCCOc1ccc(C=c2nc(O)c(=Cc3ccc(NC(=O)c4cccs4)cc3)nc2O)cc1 ZINC000253634324 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@@H](c3ccccc3C(F)(F)F)CO2)[C@H]1c1ccc(F)cc1 ZINC000253635548 KJ Annotated Anodyne C=C(C)[C@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000253635957 KJ Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000253635966 KJ Annotated Mild C[C@@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C ZINC000253636207 KJ Annotated Anodyne Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](F)[C@@H]2F)c(O)nc1=O ZINC000253636268 KJ Annotated Anodyne Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](F)[C@H]2F)c(O)nc1=O ZINC000253636271 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CBr)C(C)C)c2ccccc32)cc1 ZINC000253636318 KJ Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CBr)C(C)C)c2ccccc32)cc1 ZINC000253636323 KJ Annotated Reactive CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@@H](c3ccccc3OC(F)(F)F)CO2)[C@H]1c1ccc(F)cc1 ZINC000253636335 KJ Annotated Anodyne CCCC[C@@H](C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000253636585 KJ Annotated Mild CCCC[C@H](C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000253636586 KJ Annotated Mild CCCC[C@@H](C)C(=O)O[C@H]1[C@@H](O)[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](C)[C@H]1OC ZINC000253636587 KJ Annotated Mild CCCC[C@H](C)C(=O)O[C@H]1[C@@H](O)[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](C)[C@H]1OC ZINC000253636588 KJ Annotated Mild Cc1cn([C@@H]2C=C[C@H](CNC(=O)C[C@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(O)nc1=O ZINC000253637160 KJ Annotated Reactive Cc1cn([C@@H]2C=C[C@H](CNC(=O)C[C@@]3(C)C[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(O)nc1=O ZINC000253637164 KJ Annotated Reactive O=C([C@@H]1CCC[C@@H]2NCCC[C@H]21)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000253637319 KJ Annotated Anodyne O=C([C@@H]1CCC[C@@H]2NCCC[C@H]21)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000253637321 KJ Annotated Anodyne CN1CCC[C@@H](CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253638247 KJ Annotated Anodyne NC(=O)N1CCC[C@H]2[C@@H]1CCC[C@H]2C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000253638420 KJ Annotated Anodyne CC(C)(C)NC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000253638979 KJ Annotated Anodyne CCCCNC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000253639255 KJ Annotated Anodyne N#Cc1ccc(COC[C@H](OCc2ccc(C#N)cc2)[C@@H](O)[C@@H](O)[C@H](COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 ZINC000253639492 KJ Annotated Mild N#Cc1ccc(COC[C@H](OCc2ccc(C#N)cc2)[C@H](O)[C@@H](O)[C@H](COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 ZINC000253639496 KJ Annotated Mild CC(C)(CN1CN([C@H](Cc2ccccc2)C(=O)O)CSC1=S)CN1CN([C@H](Cc2ccccc2)C(=O)O)CSC1=S ZINC000253639863 KJ Annotated Anodyne CC(C)NC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000253640165 KJ Annotated Anodyne COC(=O)CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000253640175 KJ Annotated Anodyne CNC(=O)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000253640209 KJ Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000253655944 KJ Annotated Bother CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000253655952 KJ Annotated Bother CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000253655958 KJ Annotated Bother N#Cc1cc(N2CCN(CC[C@@H]3CC[C@@H](NS(=O)(=O)c4ccc5c(c4)CCC(=O)N5)CC3)CC2)cc(C(F)(F)F)c1 ZINC000253659088 KJ Annotated Mild O=C1COc2ccc(S(=O)(=O)N[C@@H]3CC[C@@H](CCN4CCC(Oc5cccc(C(F)(F)F)c5)CC4)CC3)cc2N1 ZINC000253659156 KJ Annotated Anodyne O=C1c2c(O)ccc(O)c2C(=O)c2c(NCC[N@+]3([O-])CCCC[C@@H]3CCl)ccc(NCC[N@@+]3([O-])CCCC[C@H]3CCl)c21 ZINC000253664632 KJ Annotated Reactive O=C1c2c(O)ccc(O)c2C(=O)c2c(NCC[N@+]3([O-])CCCC[C@@H]3CCl)ccc(NCC[N@@+]3([O-])CCCC[C@@H]3CCl)c21 ZINC000253664635 KJ Annotated Reactive O=C1c2c(O)ccc(O)c2C(=O)c2c(NCC[N@+]3([O-])CCCC[C@@H]3CCl)ccc(NCC[N@+]3([O-])CCCC[C@@H]3CCl)c21 ZINC000253664639 KJ Annotated Reactive O=C1c2c(O)ccc(O)c2C(=O)c2c(NCC[N@+]3([O-])CCCC[C@@H]3CCl)ccc(NCC[N@+]3([O-])CCCC[C@H]3CCl)c21 ZINC000253664643 KJ Annotated Reactive CC(=O)O[C@@H]1[C@H](O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000253664652 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H](C)c1ccccc1 ZINC000253664662 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@H](C)c1ccccc1 ZINC000253664670 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O[C@H](C)c1ccccc1 ZINC000253664679 KJ Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\N2CCN(Cc3ccccc3)[C@H]([N+](=O)[O-])C2)SCc2ccc(F)cc2)cc1 ZINC000253666428 KJ Annotated Mild C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@]3(O)[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O ZINC000253666495 KJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253666506 KJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253666513 KJ Annotated Anodyne CC1=C[C@H]2O[C@@H](CC=CC=CC(=O)O[C@@H]3C[C@@H](C=CCC=C1)O[C@@H](C/C=C\CCO)[C@]3(C)CO)C[C@H](O)[C@H]2C ZINC000253666883 KJ Annotated Anodyne CCCC[C@@H]1C(=O)N(C[C@@H]2CC[C@@H](O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000253667132 KJ Annotated Anodyne CCCC[C@H]1C(=O)N(C[C@@H]2CC[C@@H](O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000253667142 KJ Annotated Anodyne CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)ccc32)C[C@H]1C(=O)NCc1ccc[n+]([O-])c1 ZINC000253668249 KJ Annotated Anodyne C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OC(=O)CN(C)C)c1ccc(F)cc1F ZINC000253668325 KJ Annotated Mild C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OC(=O)C[N+](C)(C)C)c1ccc(F)cc1F ZINC000253669699 KJ Annotated Mild CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC(=O)N[C@@H](CC[P@](=O)(O)C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C[C@@](CCC=O)(C1)C[C@@](CCC=O)(C3)C2 ZINC000253669923 KJ Annotated Mild C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](C)[C@@H]2C[C@@H](O)[C@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000253669984 KJ Annotated Anodyne C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](C)[C@@H]2C[C@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000253669990 KJ Annotated Anodyne C=C[C@H]1CN2CC[C@@]34c5cc([C@H](C)C6=CN7CC[C@]89c%10ccccc%10N[C@H]8[C@@H](CO)[C@H]6C[C@H]79)ccc5N[C@@H]3[C@@H](CO)[C@@H]1C[C@@H]24 ZINC000253671149 KJ Annotated Mild C=C[C@@H]1CN2CC[C@@]34c5cc([C@H](C)C6=CN7CC[C@]89c%10ccccc%10N[C@H]8[C@@H](CO)[C@H]6C[C@H]79)ccc5N[C@@H]3[C@@H](CO)[C@@H]1C[C@@H]24 ZINC000253671159 KJ Annotated Mild O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000253672968 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000253673151 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000253673160 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O/C=C\Cc3cnc4ccccc4c3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000253673677 KJ Annotated Mild CC(=O)N1N=C2[C@H](Cc3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253674358 KJ Annotated Anodyne C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=COC(=O)C6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000253675847 KJ Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676158 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676168 KJ Annotated Anodyne CC(C)CCCNC(=O)N(C[C@H](CCC(=O)O)NC(N)=O)[C@@H](CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)[C@H](CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000253677873 KJ Annotated Anodyne CC(C)CCCNC(=O)N(C[C@H](CCC(=O)O)NC(N)=O)[C@H](CCCCN)CN(C(=O)NCCc1ccc(Cl)cc1)[C@H](CCC(=O)O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000253677880 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(CC(C)C)[C@@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000253677944 KJ Annotated Anodyne Clc1cccc([C@]23N/C(=N\c4nc5ccccc5[nH]4)N[C@]2(c2ccccc2)N/C(=N\c2nc4ccccc4[nH]2)N3)c1 ZINC000253677949 KJ Annotated Mild CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679336 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N[C@H](c2cccc(F)c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679340 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000253681521 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000253681529 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000253681535 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000253681542 KJ Annotated Anodyne CN1CCC[C@@H](OC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253682389 KJ Annotated Anodyne CCC/C=C(\C)C(=O)O[C@H]1[C@@H](O)[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](C)[C@H]1OC ZINC000253682391 KJ Annotated Mild CN1CCC[C@H](OC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253682393 KJ Annotated Anodyne CCC/C=C(\C)C(=O)O[C@H]1[C@H](O)[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](C)[C@H]1OC ZINC000253682396 KJ Annotated Mild CC(=O)NCCCC[C@@H]1N[C@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000253685055 KJ Annotated Anodyne Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](N)C(=O)OC(C)(C)C)cc3)O2)c(O)nc1=O ZINC000253685301 KJ Annotated Clean Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](N)C(=O)OC(C)(C)C)cc3)O2)c(O)nc1=O ZINC000253685310 KJ Annotated Clean CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000253685564 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000253685575 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000253685582 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000253685587 KJ Annotated Mild C[C@@H]1Cc2ccc(Cl)c(Cl)c2CN1S(=O)(=O)NS(=O)(=O)N1Cc2c(ccc(Cl)c2Cl)C[C@H]1C ZINC000253688445 KJ Annotated Anodyne Sc1nncn1[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000253688463 KJ Annotated Anodyne CCCCO[C@]1(C)CCN2C[C@@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]21C(=O)N4C ZINC000253688517 KJ Annotated Anodyne CCCCO[C@]1(C)CCN2C[C@@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000253688534 KJ Annotated Anodyne CCCCO[C@]1(C)CCN2C[C@@]34C[C@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]21C(=O)N4C ZINC000253688539 KJ Annotated Anodyne CCCCCC(=O)O[C@H]1[C@@H](O)[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](C)[C@H]1OC ZINC000253689747 KJ Annotated Mild C=C(Cl)CN1C[C@H](OC)[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](C)C1 ZINC000253697300 KJ Annotated Mild CN1C(=O)[C@H]2[C@H](CN(Cc3cccs3)C23CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)C1=O ZINC000253697315 KJ Annotated Anodyne CN1C(=O)[C@@H]2CN(Cc3cccs3)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)[C@H]2C1=O ZINC000253697325 KJ Annotated Anodyne CO[C@H]1CN(Cc2ccc3c(c2)OCO3)C[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 ZINC000253700517 KJ Annotated Mild CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O[C@H](C)c1ccccc1 ZINC000253701667 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@H](C)c1ccccc1 ZINC000253701676 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H](C)c1ccccc1 ZINC000253701685 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000253701691 KJ Annotated Anodyne CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000253712185 KJ Annotated Mild CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000253712196 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C[N@+](C)(CCC(=O)OCCCCCCOC(=O)CC[N@@+]1(C)CCc3cc(OC)c(OC)c(OC)c3C1)CC2 ZINC000253712330 KJ Annotated Bother COc1cc2c(c(OC)c1OC)C[N@@+](C)(CCC(=O)OCCCCCCOC(=O)CC[N@@+]1(C)CCc3cc(OC)c(OC)c(OC)c3C1)CC2 ZINC000253712339 KJ Annotated Bother COc1cc2c(c(OC)c1OC)C[N@+](C)(CCC(=O)OCCCCCCOC(=O)CC[N@+]1(C)CCc3cc(OC)c(OC)c(OC)c3C1)CC2 ZINC000253712346 KJ Annotated Bother CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3C(C)=CC[C@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000253714191 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000253714199 KJ Annotated Anodyne CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN([C@@H]1C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 ZINC000253724017 KJ Annotated Mild CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN([C@H]1C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 ZINC000253724024 KJ Annotated Mild CCN(C[C@H](Cc1ccc(O)cc1)NC(=O)OCc1nccs1)C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1cncs1 ZINC000253733789 KJ Annotated Anodyne CCN(C[C@H](Cc1ccc(O)cc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccc(O)cc1)NC(=O)OCc1nccs1 ZINC000253733800 KJ Annotated Anodyne CN(CC[N@@+](C)(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1)C(=O)CN(C)C(=O)CN(C)C(=O)CC[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000253739973 KJ Annotated Bother CN(CC[N@+](C)(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1)C(=O)CN(C)C(=O)CN(C)C(=O)CC[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000253739980 KJ Annotated Bother COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(CCCN(Cc3c[nH]cn3)[C@H]2c2ccccc2)C1 ZINC000253754317 KJ Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C[C@H](c2ccccc2)[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@@H]13 ZINC000253761391 KJ Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C[C@@H](c2ccccc2)[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000253761402 KJ Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C[C@H](c2ccccc2)[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000253761410 KJ Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C[C@@H](c2ccccc2)[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@@H]13 ZINC000253761418 KJ Annotated Anodyne Cc1ccc(/C=C2\CN3C[C@@]4(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2[C@@]42C(=O)c4ccccc4[C@]32O)cc1 ZINC000253761439 KJ Annotated Mild Cc1ccc(/C=C2\CN3C[C@@]4(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2[C@]42C(=O)c4ccccc4[C@@]32O)cc1 ZINC000253761450 KJ Annotated Mild CN1CCN(CCC(=O)N2CC[C@]3(N4CCCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000253761726 KJ Annotated Anodyne CC(=O)OC[C@](O)([C@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@@]12CC[C@@](C)(C[C@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000253798279 KJ Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2C[C@@]3(N4CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000253798364 KJ Annotated Anodyne CN1CCN(CC(=O)O[C@H]2C[C@@]3(N4CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000253798369 KJ Annotated Anodyne CC(C)C[C@H](NC(=O)[C@@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@H](CCCCCCCCC#N)C1CCCC1)B1OC(C)(C)C(C)(C)O1 ZINC000253825288 KJ Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O ZINC000253837528 KJ Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O ZINC000253837538 KJ Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O ZINC000253837543 KJ Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O ZINC000253837549 KJ Annotated Mild Cn1cnc(CCNC(=O)[C@H]2CN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)c1 ZINC000253837721 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@H](O[C@@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000253837738 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@H](O[C@@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000253837743 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253839126 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253839131 KJ Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)C[C@H]1CN(Cc2ccc(C#N)cc2)C=N1 ZINC000253839216 KJ Annotated Mild CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)C[C@H]1CN(Cc2ccc(C#N)cc2)C=N1 ZINC000253839219 KJ Annotated Mild CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000253848650 KJ Annotated Mild in-vitro CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)O[Si](C)(C)C)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000253848931 KJ Annotated Reactive CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@@]3(C)O[Si](C)(C)C)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000253848935 KJ Annotated Reactive CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000253853652 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000253853659 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@@H](O)[C@@H]1C ZINC000253853665 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@@H](O)[C@@H]1C ZINC000253853673 KJ Annotated Anodyne COc1ccc(CN2C[C@H](O)[C@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)O[C@H](C)C2)cc1 ZINC000253859817 KJ Annotated Mild COc1ccc(N2C[C@H](O)[C@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)O[C@H](C)C2)cc1 ZINC000253861125 KJ Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253863461 KJ Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253863465 KJ Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253863467 KJ Annotated Mild CCOC(=O)[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)CCCN(CCCCc4ccccc4)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O ZINC000253868437 KJ Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1NC1C(=O)C(C)=C(C)C1=O ZINC000253896453 KJ Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1NC1C(=O)C(C)=C(C)C1=O ZINC000253896456 KJ Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1NC1C(=O)C(C)=C(C)C1=O ZINC000253896459 KJ Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1NC1C(=O)C(C)=C(C)C1=O ZINC000253896461 KJ Annotated Mild CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN([C@H]2C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C2)C[C@@H]1C ZINC000253908083 KJ Annotated Anodyne CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN([C@@H]2C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C2)C[C@@H]1C ZINC000253908086 KJ Annotated Anodyne C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@H](/C(C)=C\CO)[C@H](O)C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@H]2O1 ZINC000253915836 KJ Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@H](/C(C)=C\CO)[C@H](O)C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@H]2O1 ZINC000253915843 KJ Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@H](/C(C)=C\CO)[C@H](O)C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@@H]2O1 ZINC000253916051 KJ Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@H](/C(C)=C\CO)[C@H](O)C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000253916053 KJ Annotated Reactive C=CC[C@H](C[C@H](C)CCC)C(=O)C[C@H](O)[C@H](C)[C@@H]1OC(=O)[C@H]2[C@@H](CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000253917874 KJ Annotated Mild C=CC[C@H](C[C@H](C)CCC)C(=O)C[C@H](O)[C@H](C)[C@@H]1OC(=O)[C@@H]2[C@@H](CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000253917876 KJ Annotated Mild C=CC[C@H](C[C@H](C)CCC)C(=O)C[C@H](O)[C@H](C)[C@@H]1OC(=O)[C@@H]2[C@H](CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000253917878 KJ Annotated Mild C=CC[C@H](C[C@H](C)CCC)C(=O)C[C@H](O)[C@H](C)[C@@H]1OC(=O)[C@H]2[C@H](CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000253917881 KJ Annotated Mild N[C@@H]1CC[C@@H](Nc2cc(Nc3ccc(S(=O)(=O)c4cccs4)cc3)n3ncc(Cl)c3n2)CC1 ZINC000253918729 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920514 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920517 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253920646 KJ Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253920649 KJ Annotated Bother COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253921226 KJ Annotated Anodyne COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253921228 KJ Annotated Anodyne COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253921230 KJ Annotated Anodyne CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000253946951 KJ Annotated Anodyne investigational CC[C@H](C)N1CCC2(CC1)N=c1c3c(O)c4c(O)c(C)c5c(c4c1=N2)C(=O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N3)O5 ZINC000253950942 KJ Annotated Anodyne CC[C@@H](C)N1CCC2(CC1)N=c1c3c(O)c4c(O)c(C)c5c(c4c1=N2)C(=O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N3)O5 ZINC000253950954 KJ Annotated Anodyne COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3[C@H](O)CO[C@H](O[C@H]4C[C@@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@@H]6C[C@H]([C@H](C)CCCC(C)C)[C@]5(C)[C@@H]4O)[C@@H]3OC(C)=O)OC[C@H](O)[C@H]2O)cc1 ZINC000253952134 KJ Annotated Anodyne COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3[C@H](O)CO[C@H](O[C@H]4C[C@@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@@H]6C[C@H]([C@H](C)CCCC(C)C)[C@]5(C)[C@@H]4O)[C@@H]3OC(C)=O)OC[C@@H](O)[C@H]2O)cc1 ZINC000253952137 KJ Annotated Anodyne COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3[C@H](O)CO[C@H](O[C@H]4C[C@@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@@H]6C[C@H]([C@H](C)CCCC(C)C)[C@]5(C)[C@@H]4O)[C@@H]3OC(C)=O)OC[C@H](O)[C@@H]2O)cc1 ZINC000253952140 KJ Annotated Anodyne COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3[C@H](O)CO[C@H](O[C@H]4C[C@@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@@H]6C[C@H]([C@H](C)CCCC(C)C)[C@]5(C)[C@@H]4O)[C@@H]3OC(C)=O)OC[C@@H](O)[C@@H]2O)cc1 ZINC000253952145 KJ Annotated Anodyne O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000253977891 KJ Annotated Reactive CCCCN(CCCC)CCCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000253978863 KJ Annotated Bother CCCCN(CCCC)CCCNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000253978866 KJ Annotated Bother CC[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253979280 KJ Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CCC(N)=O)(c3ccccn3)CC2)cc1)C(F)(F)F ZINC000253996313 KJ Annotated Anodyne C[C@H]1[C@@H](O)[C@]2(OC[C@]34C(=O)C[C@@]5(O)[C@@H](CC[C@H]6Cc7nc8c(nc7C[C@@]65C)C[C@@H]5CC[C@H]6C7=C[C@@H]9O[C@]%10(O[C@](C)(CO)C[C@H]%10O)[C@@H](C)[C@]9(O)[C@@]7(C)[C@H](O)C[C@@H]6[C@@]5(C)C8)C3=CC[C@@H]4[C@@H]2C)OC1(C)C ZINC000254004802 KJ Annotated Anodyne CO[C@H]1[C@@H](OC(=O)OCc2ccccc2)[C@@H](O)[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 ZINC000254004968 KJ Annotated Mild CO[C@H]1[C@@H](OC(=O)OCc2ccccc2)[C@H](O)[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 ZINC000254004973 KJ Annotated Mild CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@@H]14 ZINC000254013028 KJ Annotated Anodyne CC(=O)O[C@H](C(=O)O[C@@H]1C[C@H](CC#N)O[C@H](CCC[C@@H]2O[C@H](C(=O)OC(C)C)CC[C@@H]2C)C1)c1ccccc1 ZINC000254017980 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@@H]1C[C@H](CC#N)O[C@H](CCC[C@@H]2O[C@@H](C(=O)OC(C)C)CC[C@H]2C)C1)c1ccccc1 ZINC000254017983 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@@H]1C[C@H](CC#N)O[C@H](CCC[C@@H]2O[C@H](C(=O)OC(C)C)CC[C@H]2C)C1)c1ccccc1 ZINC000254017986 KJ Annotated Mild CC(=O)O[C@H](C(=O)O[C@@H]1C[C@H](CC#N)O[C@H](CCC[C@@H]2O[C@@H](C(=O)OC(C)C)CC[C@@H]2C)C1)c1ccccc1 ZINC000254017990 KJ Annotated Mild Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@H]3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 ZINC000254018022 KJ Annotated Anodyne Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@H]3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 ZINC000254018975 KJ Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1C[C@H]1C)OC)[C@@H]3OC ZINC000254019495 KJ Annotated Mild COc1ccc([C@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000254036098 KJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000254036101 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@H](C(=O)O)[C@@H]23)cc(F)c1F ZINC000254042364 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc(F)c1F ZINC000254042370 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@@H]2C[C@H]3C[C@H]2[C@H]2[C@H]3[C@H]2C(=O)O)cc(F)c1F ZINC000254042373 KJ Annotated Anodyne CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc([C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@@H](C(=O)O)[C@H]23)cc(F)c1F ZINC000254042375 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2N(CC=C(C)C)c3ccccc3[C@]23CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C3=N1 ZINC000254043222 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(Cc3cccs3)[C@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000254044406 KJ Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCCNC(N)=O ZINC000254048106 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000254048442 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000254048521 KJ Annotated Anodyne COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NOC[C@@H](O)COCc2ccco2)cc1 ZINC000254051185 KJ Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NOC[C@@H](O)COCc2ccco2)cc1 ZINC000254051189 KJ Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NOC[C@H](O)COCc2ccco2)cc1 ZINC000254051193 KJ Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NOC[C@H](O)COCc2ccco2)cc1 ZINC000254051196 KJ Annotated Mild Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000254051276 KJ Annotated Anodyne O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 ZINC000254074544 KJ Annotated Anodyne CCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](OC(=O)CCCCCCC)[C@H]1O ZINC000254076629 KJ Annotated Mild CCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](OC(=O)CCCCCCC)[C@@H]1O ZINC000254076631 KJ Annotated Mild CCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](OC(=O)CCCCCCC)[C@@H]1O ZINC000254076634 KJ Annotated Mild CCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](OC(=O)CCCCCCC)[C@H]1O ZINC000254076637 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254076689 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254076690 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254076691 KJ Annotated Mild CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32 ZINC000254077958 KJ Annotated Anodyne CC(=O)O[C@@H]1C=C[C@H](C(C)(C)OC(C)=O)[C@H]2[C@@]3(C)OC[C@@]12[C@H](OC(C)=O)[C@H]1[C@@H](OC(=O)c2cccnc2)[C@](C)(OC(=O)C(C)C)C[C@]1(OC(C)=O)[C@@H]3OC(=O)c1ccccc1 ZINC000254079182 KJ Annotated Anodyne C=C1CC[C@@H](O[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@H](OC(C)=O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@@H](/C(O)=C3\C(=O)[C@H](C(C)C)N([C@H]4O[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]4OC)C3=O)[C@@H]12 ZINC000254085935 KJ Annotated Mild C=C1CC[C@@H](O[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@H](OC(C)=O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@H](/C(O)=C3\C(=O)[C@H](C(C)C)N([C@H]4O[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]4OC)C3=O)[C@@H]12 ZINC000254085939 KJ Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254091766 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCC[C@H]4C(C)(C)O)cc32)CC1 ZINC000254092544 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CC[C@H](C(C)(C)O)C4)cc32)CC1 ZINC000254093164 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CC[C@@H](C(C)(C)O)C4)cc32)CC1 ZINC000254093169 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cc(F)cc(C#N)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254093242 KJ Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(C#N)cc3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254093766 KJ Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000254094492 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cccc(C#N)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254094665 KJ Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCCC[C@H]4C(=O)O)cc32)CC1 ZINC000254094684 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCCC[C@@H]4C(=O)O)cc32)CC1 ZINC000254094687 KJ Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(C#N)c(F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254094729 KJ Annotated Mild C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21 ZINC000254096152 KJ Annotated Reactive C[C@H]1CCC=CC=CCC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@](C)(O)[C@]3(O2)O[B-]24O[C@@H](C(=O)O1)[C@@]1(O[C@@H](CC[C@]1(C)O)[C@H](C)C(=O)C[C@@H](O)CCC=CC=CCC[C@H](C)OC(=O)[C@@H]3O2)O4 ZINC000254103675 KJ Annotated Anodyne COc1ccc(C(=O)OC[C@@H]2O[C@H](n3cnc4c(=S)nc[nH]c43)[C@@H](OC(=O)c3ccc(OC)cc3)[C@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000254114842 KJ Annotated Anodyne COc1ccc(C(=O)OC[C@@H]2O[C@H](n3cnc4c(=S)nc[nH]c43)[C@H](OC(=O)c3ccc(OC)cc3)[C@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000254114846 KJ Annotated Anodyne COc1ccc(C(=O)OC[C@@H]2O[C@H](n3cnc4c(=S)nc[nH]c43)[C@H](OC(=O)c3ccc(OC)cc3)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000254114848 KJ Annotated Anodyne CN1CCN(CCC(=O)O[C@@H]2C[C@@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000254121095 KJ Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2C[C@@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000254121098 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000254128383 KJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000254128403 KJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000254128405 KJ Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)/C(=N\NC(N)=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000254129141 KJ Annotated Reactive CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21 ZINC000254131894 KJ Annotated Bother CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)[C@@H]1OC(C)=O ZINC000254131901 KJ Annotated Bother C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@H](C)O2)c1C3=O ZINC000254133308 KJ Annotated Clean CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000254133730 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@@H]5OCC(=CC=C[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000254133733 KJ Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000254134176 KJ Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000254134179 KJ Annotated Clean CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@@H](C/C=C/c4cnc5ccccc5c4)CCCN(C)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O ZINC000254134828 KJ Annotated Mild CO/N=C1/C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)[C@@H](OC(C)=O)C(=O)[C@@H](CNOC)[C@@H](C)CO)[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]4CC[C@H]3[C@@H]1C ZINC000254135459 KJ Annotated Mild CO/N=C1/C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)[C@@H](OC(C)=O)C(=O)[C@H](CNOC)[C@@H](C)CO)[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]4CC[C@H]3[C@@H]1C ZINC000254135463 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254136403 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254136406 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254136409 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254136413 KJ Annotated Mild O=C1C2=C(C[C@@H]3[C@H](C2)C3(Br)Br)C(=O)C2=C1C[C@H]1[C@@H](C2)C1(Br)Br ZINC000254136743 KJ Annotated Mild O=C1C2=C(C[C@H]3[C@H](C2)C3(Br)Br)C(=O)C2=C1C[C@H]1[C@@H](C2)C1(Br)Br ZINC000254136746 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254136748 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254136753 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254136757 KJ Annotated Mild O=C(Nc1ccccc1)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000254140682 KJ Annotated Mild O=C(Nc1ccccc1)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000254140686 KJ Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@H](O)[C@H](O)[C@@H](OC)C(=O)N[C@H]1CCCCN(C)C1=O ZINC000254140744 KJ Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@H](O)[C@H](O)[C@H](OC)C(=O)N[C@H]1CCCCN(C)C1=O ZINC000254140746 KJ Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@H](O)[C@H](O)[C@@H](OC)C(=O)N[C@@H]1CCCCN(C)C1=O ZINC000254140748 KJ Annotated Mild CN[C@@H]1[C@H](O)C[C@H](O[C@@H]2CC=C(C)CC(C)=CC=CCC[C@H](C)CNC(=O)C=CC=C[C@H]2C)O[C@@H]1C ZINC000254142620 KJ Annotated Anodyne CN[C@H]1[C@H](C)O[C@@H](O[C@@H]2CC=C(C)CC(C)=CC=CCC[C@H](C)CNC(=O)C=CC=C[C@H]2C)C[C@H]1O ZINC000254142621 KJ Annotated Anodyne CN[C@H]1[C@H](C)O[C@@H](O[C@@H]2CC=C(C)CC(C)=CC=CCC[C@H](C)CNC(=O)C=CC=C[C@@H]2C)C[C@H]1O ZINC000254142622 KJ Annotated Anodyne CN[C@@H]1[C@H](O)C[C@H](O[C@@H]2CC=C(C)CC(C)=CC=CCC[C@H](C)CNC(=O)C=CC=C[C@@H]2C)O[C@@H]1C ZINC000254142623 KJ Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(Br)c3ccccc3[C@@]2(Br)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000254144389 KJ Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@]1(Br)c3ccccc3[C@]2(Br)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000254144392 KJ Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)C1(Br)c3ccccc3C2(Br)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000254144394 KJ Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(Br)c3ccccc3[C@@]2(Br)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000254144396 KJ Annotated Anodyne CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000254145273 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000254145275 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000254145277 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000254145280 KJ Annotated Mild CCO[P@](=O)(O)[C@H](NCCCCCCN[C@H](c1ccccc1O)[P@@](=O)(O)OCC)c1ccccc1O ZINC000254194052 KJ Annotated Clean O=C(OC[C@@H]1O[C@@H]2O[C@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@@H]2[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000254216406 KJ Annotated Bother CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000254216458 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000254216460 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000254216462 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000254216464 KJ Annotated Mild COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1O ZINC000254224456 KJ Annotated Mild COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1O ZINC000254224457 KJ Annotated Mild COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1O ZINC000254224458 KJ Annotated Mild COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1O ZINC000254224459 KJ Annotated Mild Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000254224476 KJ Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]4ON3[C@H](C(N)=O)c3ccccc3)c2c1 ZINC000254224477 KJ Annotated Bother COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)ccc1O ZINC000254239131 KJ Annotated Mild COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)ccc1O ZINC000254239132 KJ Annotated Mild COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)ccc1O ZINC000254239133 KJ Annotated Mild COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)ccc1O ZINC000254239134 KJ Annotated Mild Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000254383736 KJ Annotated Reactive aggregator C=CCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(S(N)(=O)=O)ccc21 ZINC000254444587 KJ Annotated Mild aggregator Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)c1 ZINC000254766014 KJ Annotated Reactive aggregator CCOC(=O)c1ccc(N=C2S[C@@H](C(=O)Nc3ccc(C(=O)O)cc3)CC(=O)N2Cc2cccs2)cc1 ZINC000254824175 KJ Annotated Mild Cc1cc(=O)[nH]c2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000025966499 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000025968300 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025981598 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025981606 KJ Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025982057 KJ Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025982065 KJ Annotated Anodyne O=[N+]([O-])c1cccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)c1 ZINC000025982742 KJ Annotated Bother O=[N+]([O-])c1cccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)c1 ZINC000025982750 KJ Annotated Bother O=C(NCCCCN(CCCCNC(=O)[C@@H]1CSC(c2ccccc2O)=N1)Cc1ccccc1)[C@H]1CSC(c2ccccc2O)=N1 ZINC000025986877 KJ Annotated Anodyne O=C(NCCCCN(CCCCNC(=O)[C@@H]1CSC(c2ccccc2O)=N1)Cc1ccccc1)[C@@H]1CSC(c2ccccc2O)=N1 ZINC000025986887 KJ Annotated Anodyne O=C(NCCCCN(CCCCNC(=O)[C@H]1CSC(c2ccccc2O)=N1)Cc1ccccc1)[C@H]1CSC(c2ccccc2O)=N1 ZINC000025986897 KJ Annotated Anodyne C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2cc(F)c(F)cc2C1=O ZINC000025988730 KJ Annotated Bother COc1ccccc1Cc1c(CCCO)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000025994684 KJ Annotated Anodyne O=c1nc(-n2cncn2)ccn1[C@@H]1S[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000025995036 KJ Annotated Anodyne O=c1nc(-n2cncn2)ccn1[C@H]1S[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000025995044 KJ Annotated Anodyne O=c1nc(-n2cncn2)ccn1[C@@H]1S[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000025995051 KJ Annotated Anodyne O=c1nc(-n2cncn2)ccn1[C@H]1S[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000025995059 KJ Annotated Anodyne Nc1ccn([C@@H]2S[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)c(=O)n1 ZINC000025999508 KJ Annotated Anodyne Nc1ccn([C@H]2S[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)c(=O)n1 ZINC000025999516 KJ Annotated Anodyne CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C/c4ccccc4)[C@]4(C)[C@](O)([C@H](C)OC(=O)CC(C)C)CC[C@]54O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O ZINC000255192262 KJ Annotated Anodyne COC(=O)[C@@]12C(OC)=C(C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]12C ZINC000255192293 KJ Annotated Mild CCOC(=O)[C@H]1O[C@@H]([C@@]2(C)O[C@@]3(O[C@]4(C=C[C@H]3O)O[C@H]([C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)c3ccc(CC)c(O)c3C(=O)O)[C@@H](C)C[C@H]4C)[C@H](C)[C@H]2OC)C[C@H]1O ZINC000255192601 KJ Annotated Anodyne CCOC(=O)[C@H]1O[C@@H]([C@@]2(C)O[C@]3(O[C@]4(C=C[C@H]3O)O[C@H]([C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)c3ccc(CC)c(O)c3C(=O)O)[C@@H](C)C[C@H]4C)[C@H](C)[C@H]2OC)C[C@H]1O ZINC000255192606 KJ Annotated Anodyne CC[C@@H]1C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000255193348 KJ Annotated Anodyne CC[C@@H]1C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000255193352 KJ Annotated Anodyne CC[C@H]1C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000255193356 KJ Annotated Anodyne CO[C@H]1CC[C@@H](O[C@@H]2C[C@@H]([C@H]3CC[C@H]([C@H]4O[C@](C)(O)[C@H](C)C[C@@H]4C)O3)O[C@H]2[C@]2(C)C[C@@H](C)[C@@]3(O[C@H](C[C@@H]4O[C@](O)([C@@H](O)C(=O)O)[C@@H](C)[C@H](OC)[C@@H]4C)C[C@@H](OC)[C@H]3C)O2)O[C@@H]1C ZINC000255193460 KJ Annotated Anodyne CO[C@H]1[C@H](C)[C@@H](C[C@@H]2C[C@@H](OC)[C@H](C)[C@@]3(O2)O[C@@](C)([C@@H]2O[C@@H]([C@@H]4CC[C@H]([C@H]5O[C@@](C)(O)[C@H](C)C[C@@H]5C)O4)C[C@H]2O[C@@H]2CC[C@@H](OC)[C@H](C)O2)C[C@H]3C)O[C@@](O)([C@@H](O)C(=O)O)[C@@H]1C ZINC000255193461 KJ Annotated Anodyne CCC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)OC(=O)[C@H](C)[C@H](O)[C@H]([C@@H](C)CC)NC(=O)[C@@]2(C)CSC(=N2)[C@]2(C)CSC(=N2)c2csc(n2)C[C@H](OC)[C@@H]1C ZINC000255193583 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C(=O)C(C)C)O[C@@]2(CC[C@@]3(C)C4=C(CC[C@@H]32)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)[C@@H]1C ZINC000255194018 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2[C@H](O)C[C@]3(C)C(=CC[C@H]3[C@@H]3C[C@@H]([C@@H]4OC4(C)C)O[C@H]3O)[C@]12C ZINC000255195125 KJ Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1[C@@](C)(O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)CC[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]21C ZINC000255195836 KJ Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4cc(-c5cc6c(cc5OC)[C@]57CCN8C/C(=C/C)[C@H](CC[C@]85N6C)[C@H]7C(=O)OC)c(OC)cc4N(C)[C@H]32)[C@@H]1O ZINC000255196371 KJ Annotated Clean C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4cc(-c5cc6c(cc5OC)[C@]57CCN8C/C(=C/C)[C@H](CC[C@]85N6C)[C@H]7C(=O)OC)c(OC)cc4N(C)[C@H]32)[C@H]1O ZINC000255196373 KJ Annotated Clean CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5C[C@H]([C@H](O)C(C)(C)O)O[C@@H]5O)[C@]4(C)CC[C@H]23)C1(C)C ZINC000255196410 KJ Annotated Anodyne CC(=O)O[C@@H](CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@](C)(O)CC/C=C(\C)CCC=C(C)C)[C@@](C)(O)CC/C=C(\C)CCCC(C)(C)O ZINC000255196686 KJ Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3CN(C5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255196799 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(=O)/C(C)=C/C)C[C@H](O)[C@](C)([C@H]4C[C@H](OC)O[C@H]5C[C@@H](C6=CCOC6=O)C(C)=C5[C@]14C)[C@@H]23 ZINC000255196983 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3C[C@H](OC)O[C@H]4C[C@@H](C5=CCOC5=O)C(C)=C4[C@]3(C)[C@H](OC(=O)/C(C)=C/C)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000255196985 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(=O)/C(C)=C\C)C[C@H](O)[C@](C)([C@H]4C[C@H](OC)O[C@H]5C[C@@H](C6=CCOC6=O)C(C)=C5[C@]14C)[C@@H]23 ZINC000255196987 KJ Annotated Anodyne C[C@@H]1[C@]23CO[C@@]1(O)[C@H](O)C[C@H]2[C@]1(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]2(C)[C@H]1C[C@H]3O ZINC000255197298 KJ Annotated Anodyne CC[C@@]12CC[C@H]3N(C)c4ccc([C@@H]5[C@H]6O[C@H]6[C@@]6(CC)CC(C(=O)OC)=C7Nc8c(cc(O)c(OC)c8OC)[C@@]78CCN5[C@@H]68)cc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 ZINC000255197371 KJ Annotated Clean COC(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@H](O[C@@H]5C[C@H](O)[C@@H](OC(C)=O)[C@H](C)O5)[C@H](C)C[C@@H](C)[C@H]4[C@]3(C)C(=O)C3=C(O)[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C/2C)OC3=O)C[C@]1(C)[N+](=O)[O-] ZINC000255197376 KJ Annotated Reactive COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@]4(C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@]48c4cccc(OC)c4N[C@]58[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000255197414 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C/c5ccccc5)[C@]5(C)[C@H](C(C)=O)CC[C@]65O)C4)O[C@@H]3C)C[C@H]2OC)O[C@H](C)[C@H]1O ZINC000255197428 KJ Annotated 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C/C=C(/C)C(=O)O[C@@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)/C(C)=C\C)[C@H](O)[C@H]2O)[C@@H](OC(=O)CC(C)C)[C@H](Oc2c(C(C)C)ccc(C)c2O)O[C@@H]1C ZINC000255211662 KJ Annotated Anodyne C/C=C1/CN2CC[C@]34c5cc6oc7cc8c(cc7c6cc5N(C)[C@]23CC[C@H]1[C@@H]4C(=O)OC)[C@]12CCN3C[C@]4(O[C@@H]4C)[C@H](C[C@H]3[C@@H]1N8C)[C@H]2C(=O)OC ZINC000255211732 KJ Annotated Anodyne C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](CCCCCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)[C@H](C)C[C@H]14)O2 ZINC000255211762 KJ Annotated Mild CC[C@H](C)C[C@@H](C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C1=C(C(=O)O)[C@@H]2OO[C@@H](CO)[C@H](O)[C@H](O1)[C@@H]2O)C(=O)O ZINC000255211828 KJ Annotated Reactive CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255211922 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3COC(=O)C3)[C@]12C ZINC000255211969 KJ Annotated Mild 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C/C=C1/CN2CC[C@]34c5cc([C@@H](C)C6=CN7CC[C@]89c%10ccccc%10N[C@H]8[C@H](CO)[C@H]6C[C@H]79)ccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]24 ZINC000255212155 KJ Annotated Anodyne C=CC/C=C\C=C/[C@@H]1O[C@@H]2C[C@@H]3O[C@H]4CC[C@@H]5O[C@H]6C[C@]7(C)O[C@@]8(C)[C@H](O)C[C@H](CCCO)O[C@@H]8C[C@@H]7O[C@@H]6C[C@@H]5O[C@]4(C)C[C@@]3(C)O[C@H]2C=C[C@]1(C)O ZINC000255212192 KJ Annotated Mild CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]2(O)[C@@H]1O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000255212998 KJ Annotated Anodyne CC[C@@H]1C[C@@H]2CN(CC[C@@H]3c4ccccc4N[C@H]3[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000255213034 KJ Annotated Anodyne CC[C@H]1C[C@@H]2CN(CC[C@@H]3c4ccccc4N[C@H]3[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000255213036 KJ Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)[C@@](C)(O)CO)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(=O)CC(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255213817 KJ Annotated Anodyne C=C1[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(=O)[C@H](C)CC)[C@H](OC(=O)[C@H](C)CC)[C@@H]2[C@H]1O ZINC000255213875 KJ Annotated Mild C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@H]4CO[C@H](C(C)(C)O)[C@H](O)C4)[C@]3(C)CC[C@@H]2[C@@]1(C)[C@H](CC(=O)OC)OC(C)=O ZINC000255213953 KJ Annotated Mild C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@H](O)C[C@@]2(C(=O)O)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255213957 KJ Annotated Anodyne C/C=C1/CN2CC[C@@]34c5cc6oc7cc8c(cc7c6cc5N(C)[C@@]23CC[C@@H]1[C@@H]4C(=O)OC)[C@@]12CCNC[C@@]3([C@H](C)O)OC(=O)[C@H]1[C@H]3CC[C@@H]2N8C ZINC000255213971 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)[C@@H]4O[C@H]4CC(C)C)C3=CC[C@H]2[C@H](OS(=O)(=O)O)[C@H]1O ZINC000255214072 KJ Annotated Anodyne CC(C)(O)CC[C@H]1O[C@@H](c2ccc(CO)o2)O[C@]1(C)[C@H]1CC[C@@]2(C)C1=CC[C@H]1C2=CC(=O)[C@@H]2C[C@@H](O)[C@@H](O)C[C@@]21C ZINC000255214254 KJ Annotated Mild C=C(C)[C@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C=C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)O[C@H]1OC[C@@H](O)[C@H](O)[C@@H]1O ZINC000255214378 KJ Annotated Mild C=C(C)[C@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C=C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000255214379 KJ Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255214515 KJ Annotated Mild CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C\[C@@H](C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000255214634 KJ Annotated Anodyne 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CC(=O)O[C@H]1C[C@]2(O)[C@H]3CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000255214672 KJ Annotated Anodyne CCOC(=O)[C@H]1O[C@@H]([C@@]2(C)O[C@]3(O[C@]4(C=C[C@H]3O)O[C@H]([C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)c3ccc(C)c(O)c3C(=O)O)[C@@H](C)C[C@H]4C)[C@H](C)[C@H]2OC)C[C@H]1O ZINC000255214728 KJ Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000255214745 KJ Annotated Anodyne CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(C4=C(O)C(=O)C(c5ccc(O)cc5)=C(O)C4=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000255214748 KJ Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](C4=C[C@@H](C(C)(C)O)OC4=O)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)[C@H](OC(=O)C=C(C)C)CC[C@@]1(C)[C@@H]23 ZINC000255214777 KJ Annotated Anodyne 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CCC[C@]1([C@H](C)O)C[C@@H](C)[C@](O)([C@@]2(C)C[C@@H](C)[C@H]([C@H](CC)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H]3O[C@@](O)([C@@H](C)C(=O)O)[C@H](C)C[C@@H]3C)O2)O1 ZINC000255220151 KJ Annotated Anodyne CC[C@H](O)C[C@H]1O[C@]2(CC[C@H]1C)C[C@H]1OC(=O)/C=C/[C@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)[C@](C)(O)CCCCC/C=C/[C@H]3CC(C)(C)O[C@]3(O)C[C@H](O2)[C@H]1C ZINC000255220158 KJ Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000255220383 KJ Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@]4(C[C@H]5C[C@]67CCO[C@H]6CCN6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@H]67)[C@H]4OCC[C@]4(C1)[C@H]23 ZINC000255220394 KJ Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@@]8(c9cccc(OC)c9N(C4)[C@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000255220395 KJ Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@]4(C[C@H]5C[C@]67CCO[C@H]6CCN6CC[C@@]8(c9cccc(OC)c9N(C4)[C@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000255220396 KJ Annotated Anodyne C=CC(=C)[C@@H](C[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O)OO ZINC000255220499 KJ Annotated Reactive CO[C@@H]1O[C@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@@H]1CC=C2[C@@]1(C)C[C@@H](O)[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000255220547 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(N2CCC[C@@H]2[C@H](C)O)=C/C(=N\C(=O)/C(C)=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H]1C)C4=O ZINC000255220648 KJ Annotated Clean COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@H]3C[C@H](O)[C@@]4(C)[C@H]([C@@H]5C[C@H](CO)O[C@@H]5O)CC[C@H]4[C@]23C)ccc1O ZINC000255220715 KJ Annotated Mild CO[C@@]12CC=C3C(=CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2 ZINC000255220784 KJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5OC(C)=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000255220789 KJ Annotated Mild CC1=C[C@H]2[C@@H](O)CCC[C@H]2[C@](C)(C(=O)C2=C(O)CNC2=O)[C@H]1CC[C@@H](C)[C@@H](O)/C(C)=C/C[C@@H](O)/C=C/[C@H](C)[C@@H](O)/C=C/C[C@@H](O)/C(C)=C/C[C@H](O)C[C@@H]1CCCN1C(=N)N ZINC000255220922 KJ Annotated Mild CC(=O)O[C@H]1C=C2[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@H]3[C@@H]2[C@H]2CC[C@@H]([C@H](C)[C@H]3C[C@@]4(C)O[C@@](C)(O3)OC4(C)C)[C@]12C ZINC000255220974 KJ Annotated Anodyne C=C(C)C/C=C/C(=C)C[C@@H](C)[C@@H]1OC(=O)[C@@H](C)/C=C/C=C/[C@H](O)[C@@H](O)/C=C/CC[C@H]2CC[C@@H](O2)[C@@H]1O ZINC000255221001 KJ Annotated Mild CO[C@H]1C[C@@H](C[C@H]2O[C@](O)([C@@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@@]2(C)O[C@@H]2CC[C@@H](OC)[C@H](C)O2)O[C@]2(O[C@@](C)([C@H]3CC[C@@H]([C@H]4CC[C@@H]([C@H]5O[C@@](C)(O)[C@H](C)[C@@H](O)[C@@H]5C)O4)O3)[C@@H](OC)[C@@H]2C)[C@@H]1C ZINC000255221211 KJ Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C ZINC000255221232 KJ Annotated Mild CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5C(=CC(=O)[C@@]43C)[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@H]35)C[C@@](C)(O1)C(C)(C)O2 ZINC000255221366 KJ Annotated Mild CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@@H]4[C@@H]5C(=CC(=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@H]35)C[C@@](C)(O1)C(C)(C)O2 ZINC000255221367 KJ Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@H]2[C@@]3(C)CC[C@H](O)C[C@@H]3CC[C@]23O[C@@]32CC[C@@H](C(C)=O)[C@@]2(C)[C@@H]1OC(=O)/C(C)=C/C ZINC000255221424 KJ Annotated Anodyne 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C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C\C=C/C=C/[C@H]1O[C@@H]3C[C@H]1O[C@@H](/C=C/C[C@H]1O[C@H](C[C@H](O)[C@H]1C)[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)/C=C/CC/C=C/C2)[C@@H]3C ZINC000255221534 KJ Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3C[C@@H](O)[C@H]4[C@H](C)OC(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255221654 KJ Annotated Mild 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@H]3CO[C@](O)(C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000255221695 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@H](C)CC)[C@@H]2[C@@]3(C)CC[C@H](O)C[C@@H]3CC[C@]23O[C@@]32CC[C@@H](C(C)=O)[C@@]12C ZINC000255221779 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@H](C)CC)[C@@H]2[C@@]3(C)CC[C@H](O)C[C@H]3CC[C@]23O[C@@]32CC[C@@H](C(C)=O)[C@@]12C ZINC000255221780 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@@]5(C=C[C@H](NC(=O)c6ccccc6)[C@@]4(C)CO5)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000255221820 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4[C@@]5(C=C[C@H](NC(=O)c6ccccc6)[C@@]4(C)CO5)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000255221821 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H]2OC[C@]3(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@](C)([C@@H]23)[C@H]2C[C@H](O)O[C@H]3C[C@@H](c4ccoc4)C(C)=C3[C@]12C ZINC000255221847 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4C[C@H](O)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255221848 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4C[C@@H](O)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255221849 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4C[C@@H](O)O[C@H]5C[C@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255221850 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4C[C@@H](O)O[C@H]5C[C@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255221851 KJ Annotated Anodyne CC[C@@H]1C[C@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@+]([O-])(C2)C1 ZINC000255221866 KJ Annotated Bother CO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C3(C)C ZINC000255222064 KJ Annotated Anodyne CO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C\C(C)(C)OC)CC[C@@]41C)[C@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C3(C)C ZINC000255222065 KJ Annotated Anodyne CC/C=C/[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1 ZINC000255222128 KJ Annotated Mild C/C1=C/C=C\C=C\[C@H](C)[C@H](O)C[C@@H](O)/C(C)=C/C[C@@H](O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C=C(NC1=O)C3=O ZINC000255222193 KJ Annotated Mild CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000255222194 KJ Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@H]4C(C)(C)[C@@H](O[C@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@@H]12 ZINC000255222213 KJ Annotated Anodyne COC(=O)/C(C)=C/[C@H](O)C[C@@H](C)[C@]1(C)CC(=O)C2=C3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C ZINC000255222300 KJ Annotated Mild CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)[C@H](O)C[C@H](O)[C@](C)(C(=O)O)[C@@H]1CC3=O ZINC000255222390 KJ Annotated Mild COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)C4(C)C)[C@]3(CO)CC[C@]12C ZINC000255222541 KJ Annotated Anodyne CC(=O)O[C@H]([C@@H](O)C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](O)C[C@]13O2)C(C)(C)O ZINC000255222776 KJ Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)C[C@@H]([C@@H](O)C(=O)O6)[C@@]56C[C@]4(CC[C@]23C)OO6)OC1=O ZINC000255222901 KJ Annotated Reactive CC(=O)O[C@H]1C[C@@H]2C(C)(C)OC(=O)C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]2CC[C@@]3(C)C(=CC[C@@H]3[C@@H]3COC(C)(C)[C@@H](O)[C@H](O)C3)[C@@]12C ZINC000255223014 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]([C@H]2C(=O)C=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)C=CC(=O)C(C)(C)[C@H]4C[C@@H](OC(C)=O)[C@@]32C)CO[C@H]1C(C)(C)O ZINC000255223301 KJ Annotated Mild CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@@]2(C)[C@@]1(C)CC[C@@]1(C)C3=C(C[C@H]4O[C@]412)C(C)(C)C(=O)CC3 ZINC000255223741 KJ Annotated Anodyne CO[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@H]5O[C@H]6C[C@](O)(OC6(C)C)[C@@H](C)[C@@H]5[C@@]4(C)CC(=O)[C@]32C)C(C)(C)C1=O ZINC000255223797 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5C(=O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000255224023 KJ Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@H](OC(C)=O)[C@@]2(O)O[C@]1(C)/C=C1\[C@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]1(OC(C)=O)[C@H](OC(C)=O)[C@@H](C)/C=C/C2(C)C ZINC000255224223 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(O)O[C@]1(C)/C=C1\[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)/C=C/C2(C)C ZINC000255224224 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)cc4c(O)c(cc(OCC(=O)O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000255224275 KJ 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@@]5(C)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)O1 ZINC000255225241 KJ 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@@]5(C)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)O1 ZINC000255225246 KJ Annotated Anodyne C[C@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255225650 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@H]2OC[C@@]3(C)[C@@H](OC(C)=O)C[C@@H](O)[C@](C)([C@H]23)[C@@H]2CC(=O)O[C@@H]3C[C@H](c4ccoc4)C(C)=C3[C@]21C ZINC000255226033 KJ Annotated Anodyne C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255226671 KJ Annotated Mild C=C(C)[C@]1(OC(=O)c2ccccc2)[C@H]2O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)C(=CC(=C(Cl)Cl)[C@@H]4OC(=O)c4ccccc4)[C@@]1(O3)[C@@H]2C ZINC000255226757 KJ Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@@H](C)C[C@]2(OC(=O)/C(C)=C/C)[C@H](OC(C)=O)[C@]2(C)O[C@H](OC(C)=O)[C@]13[C@@H](OC(C)=O)C[C@H]1[C@@H]([C@@H]23)C1(C)C ZINC000255226796 KJ Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4CCCC[C@]4(C)C3=C[C@H](O)[C@@]21C)C(C)C ZINC000255226949 KJ Annotated Anodyne C=C(C)[C@H]1CC[C@]2(C)CC[C@@]3(C)[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@@H](CO)[C@H](O[C@@H]7OC[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000255227088 KJ Annotated Mild COC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@@H]3[C@]2(C)CC[C@H](OC(=O)/C=C2\CC[C@H]4[C@@H]([C@@H](O)C(=O)[C@H]5[C@@](C)(C(=O)OC)CCC[C@]45C)[C@H]2C)[C@]3(C)C(=O)OC)[C@H]1C ZINC000255227504 KJ Annotated Anodyne C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@]5(/C=C/CCCCCCCCCCC[C@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000255228063 KJ Annotated Mild C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC=C[C@@H](/C=C\CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)C[C@H](O)[C@@H]1C ZINC000255228422 KJ Annotated Mild C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC=C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)C[C@H](O)[C@@H]1C ZINC000255228425 KJ Annotated Mild COC1=C2NC(=O)/C=C/C=C\C=C\[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O ZINC000255228462 KJ Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)[C@H](OC(=O)[C@H](C)CC)[C@@H]([C@@]2(C)CO2)[C@@H]2[C@@H]([C@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000255229032 KJ Annotated Mild C=C(C)[C@]1(OC(=O)c2ccccc2)[C@H]2O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)c4ccccc4)[C@@H](O)[C@@]4(O)C(=CC(=C(Cl)Cl)[C@@H]4O)[C@@]1(O3)[C@@H]2C ZINC000255229103 KJ Annotated Mild C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23[C@H](O)O[C@@](C)([C@@H](OC(=O)c4cccnc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)c5cccnc5)[C@@H]4[C@H]2OC(C)=O)[C@H]13 ZINC000255229203 KJ Annotated Mild CCCCCC[C@H]1CC(=O)CCC[C@@H](O)C/C(O)=C2/C(=O)[C@@H](O[C@H]3C[C@H](OC)[C@H](O)[C@@H](C)O3)C[C@H]2/C=C(C)/C=C\C=C/C(=O)N1 ZINC000255229340 KJ Annotated Mild COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](C)(C[C@H](C)[C@@]34[C@@](C)(O)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(C)=O)C[C@]5(C)C[C@]43OC5=O)[C@@H]2CC1=O ZINC000255230815 KJ Annotated Mild C/C=C1\CN2[C@H]3C[C@@H]1[C@@H]1C=CC(=O)N4c5ccccc5[C@@]3(C[C@@H]2[C@@H]2C(=O)N3c5ccccc5[C@@]56CCN7CC8=CCO[C@@H]2[C@@H]([C@H]35)[C@H]8C[C@H]76)[C@H]14 ZINC000255230819 KJ Annotated Anodyne CCCCCCCCCCCCC[C@]12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@]5(O)[C@@H](O)[C@@H](C)C[C@H]5[C@@]4(O1)[C@H](C)C[C@]3(C(C)C)O2 ZINC000255230872 KJ Annotated Mild CC/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000255231478 KJ Annotated Anodyne C#C[C@@H](O)/C=C/[C@H](O)C/C=C/C[C@H](O)C#C[C@@H](O)C#C[C@@H](O)CCC/C=C\CCC[C@@H](O)C(=O)CCCCCCCCCCCCCC[C@@H](O)C[C@H](O)C#CC(=O)O ZINC000255231713 KJ Annotated Mild C=C1[C@@H](O[C@H]2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C(=O)O)[C@H](O)C[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000255231868 KJ Annotated Mild CN[C@H]1CC[C@H](O[C@H]2CCC[C@H](/C=C/[C@H](C)O)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C[C@@H]3C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]43)C(=O)[C@@H]2C)O[C@@H]1C ZINC000255232046 KJ 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](CCC(C)(C)O)OC(C)=O)CC[C@]12O ZINC000255232652 KJ 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](CCC(C)(C)O)OC(C)=O)CC[C@]12O ZINC000255232664 KJ Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@H](OC(C)=O)[C@H]2[C@](C)([C@@H]3CC(=O)[C@@]4(C)C(=CC[C@@H]4c4ccoc4)[C@]31C)[C@H](O)C[C@H](OC(C)=O)[C@]2(C)C=O ZINC000255234179 KJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)[C@H]2[C@](C)([C@@H]3CC(=O)[C@@]4(C)C(=CC[C@@H]4c4ccoc4)[C@]31C)[C@H](O)C[C@H](OC(C)=O)[C@]2(C)C=O ZINC000255234181 KJ Annotated Mild CC[C@H]1C[C@@H]2CN(CC[C@H]3C(=Nc4ccccc43)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000255234207 KJ Annotated Anodyne CCC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](CC)O1)C3 ZINC000255234655 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H](O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000255234672 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1C ZINC000255235900 KJ Annotated Anodyne C/C=C(\C=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O ZINC000255235967 KJ Annotated Reactive CC1=C[C@@H]2[C@@H](O[C@H]3O[C@@H](C)[C@H](O)C(=O)[C@@H]3O)[C@H](C)CC[C@H]2[C@@H]2C(=O)OC(=O)C(C)=C3C[C@H](O)[C@@H](C)C3=C2[C@@H]1/C=C/C=C/C=C(\C)C[C@H](C)C[C@H](O)[C@@H](C)C(=O)O ZINC000255235975 KJ Annotated Reactive COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000255236208 KJ Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000255236209 KJ Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000255236210 KJ Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000255236211 KJ Annotated Anodyne CC(=O)O[C@H]([C@@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=C(CC[C@]21C)C[C@]12CC[C@H](O1)C(C)(C)[C@@H]2CC3)C(C)(C)O ZINC000255236724 KJ Annotated Anodyne CO[C@H]1C[C@@H](C)CCc2nc(co2)/C(C)=C/[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](Br)[C@@](C)(C/C=C\C[C@](C)(O)C(=O)O)O[C@H]12 ZINC000255237305 KJ Annotated Reactive C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@@H]6OC(C)(C)OC[C@@]6(O)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000255237699 KJ Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)[C@H]2C[C@]2(C)[C@H](C)C(C)C)[C@@H]2[C@H](O)[C@H]3O[C@]34C[C@@H](O)CC[C@]4(C)[C@@H]12 ZINC000255237945 KJ Annotated Anodyne CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@]3(O)CC[C@H]4[C@H]5[C@H](CC[C@@]43C)[C@@]3(C)C=CC(=O)[C@@H]4O[C@@]43C[C@H]5OC(C)=O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255241459 KJ Annotated Mild C/C=C1/CN2CC[C@@]34c5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)[C@]12CCN3C/C(=C/C)[C@H](CC[C@]31N6C)[C@H]2C(=O)OC ZINC000255241708 KJ Annotated Clean CO[C@@H](C[C@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000255241759 KJ Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2[C@@H]4[C@H](CC5=C6N4c4c(O)cccc4[C@@]64CCN6CC[C@@H]7OCC[C@]7(C5)[C@H]64)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000255242050 KJ Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(CC(=O)OC)[C@@H]2C[C@]2(c4cccc5c4N(C[C@H]4[C@@H]6C[C@H]7[C@@H]8[C@@H](C[C@@H]([C@@H]6CO[C@@]54C)N7C)c4ccccc4N8C)[C@H]32)[C@H]1CO ZINC000255242619 KJ Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(CC(=O)OC)[C@@H]2C[C@]2(c4cccc5c4N(C[C@H]4[C@@H]6C[C@H]7[C@H]8[C@@H](C[C@@H]([C@@H]6CO[C@@]54C)N7C)c4ccccc4N8C)[C@@H]32)[C@H]1CO ZINC000255242623 KJ Annotated Anodyne CCCC[C@@H](C)C(=O)O[C@@H]1[C@H](O)[C@]2(C[C@@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@@H](O)C(C)=C[C@H](C(=O)O3)[C@@]45O)O2)O[C@H](C)[C@H]1C ZINC000255243062 KJ Annotated Anodyne COC(C)(C)/C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C=C4[C@H](CCCC4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255244038 KJ Annotated Mild COC(C)(C)/C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C=C4[C@H](CCCC4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255244054 KJ Annotated Mild COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C=C4[C@H](CCCC4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255244057 KJ Annotated Mild CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN([C@H](c3ccc5c(c3)[C@@]36CCN7CCC[C@@]8(C[C@]3(C(=O)OC)[C@@](O)(N5)[C@@H]8C)[C@H]76)[C@H]3O[C@H]31)[C@@H]24 ZINC000255244406 KJ Annotated Anodyne C=C(C)C(=O)CC[C@@H](C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000255244479 KJ Annotated Mild C/C=C(\C)C(=O)N[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@H]1O ZINC000255244635 KJ Annotated Anodyne CC1=C[C@@H]2C(=O)O[C@@H]3C[C@H](C/C=C(\C)C[C@H](C)/C=C/C=C4\C(=O)O[C@@H]([C@H]1O)[C@]42O)O[C@@]1(C3)C[C@@H](O)[C@@H](C)[C@H](/C(C)=C/C(C)C)O1 ZINC000255245416 KJ Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CC[C@@H](O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4ccc(C[C@](C)(CC(=O)O)O[C@@H]6CC[C@@H](O[C@@H]7C=CC(=O)[C@H](C)O7)[C@H](C)O6)c(O)c4C5=O)O[C@@H]3C)O[C@H]2C)C=CC1=O ZINC000255245424 KJ Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C[C@@H](O)[C@@]56CO[C@](O)([C@H](O)C[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)[C@@H]6C ZINC000255246696 KJ Annotated Anodyne CO[C@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000255247000 KJ Annotated Anodyne CO[C@H](C=C(C)C)C[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000255247003 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5CCOC5=O)[C@]4(C)CC[C@H]23)C1(C)C ZINC000255247103 KJ Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2[C@H]4[C@H](C[C@@H]5C[C@]67CCO[C@@H]6CCN6CC[C@@]8(c9cccc(OC)c9N[C@@]458)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000255247192 KJ Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000255247237 KJ Annotated Mild C/C=C/C=C/[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@H](O)[C@@H](O)/C=C(O)/C=C/C=C/C=C(/C)C(=O)c2c(O)ccn(C)c2=O)C[C@H](O)C1(C)C ZINC000255247367 KJ Annotated Mild C/C=C\C=C\[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@H](O)[C@@H](O)/C=C(O)/C=C/C=C/C=C(\C)C(=O)c2c(O)ccn(C)c2=O)C[C@H](O)C1(C)C ZINC000255247369 KJ Annotated Mild C/C=C/C=C/[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@H](O)[C@@H](O)/C=C(O)/C=C/C=C/C=C(\C)C(=O)c2c(O)ccn(C)c2=O)C[C@H](O)C1(C)C ZINC000255247371 KJ Annotated Mild C/C=C/C=C/[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(/C)[C@@H](OC)[C@@H](C)[C@H](O)[C@@H](O)/C=C(O)/C=C/C=C/C=C(\C)C(=O)c2c(O)ccn(C)c2=O)C[C@H](O)C1(C)C ZINC000255247373 KJ Annotated Mild 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CCC[C@H](O)[C@]1(CC)C[C@@H](C)[C@](O)([C@]2(C)C[C@@H](C)[C@H]([C@H](CC)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H]3O[C@](O)([C@@H](CC)C(=O)O)[C@H](C)[C@@H](O)[C@@H]3CC)O2)O1 ZINC000255250189 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]4(C)[C@H](C(C)=O)CC[C@]54O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O ZINC000255250558 KJ Annotated Anodyne C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)/C=C\C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000255251650 KJ Annotated Mild C/C1=C\C[C@@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)/C=C/C=C/C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000255251652 KJ Annotated Mild C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)/C=C/C=C\C=C\[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000255251655 KJ Annotated Mild CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O ZINC000255253026 KJ Annotated Mild CC(=O)O[C@@H]1C/C=C/[C@H]2C[C@@H](OC(=O)[C@@H]3O[B@-]45O[C@@H](C(=O)O[C@@H]6C[C@H](/C=C/C[C@@H](O)C(C)(C)[C@@H]7CC[C@@H](C)[C@]3(O7)O4)O[C@H]6C)[C@@]3(O[C@@H](CC[C@H]3C)C1(C)C)O5)[C@H](C)O2 ZINC000255253441 KJ Annotated Anodyne CC(=O)O[C@@H]1C/C=C/[C@H]2C[C@@H](OC(=O)[C@@H]3O[B@@-]45O[C@@H](C(=O)O[C@@H]6C[C@H](/C=C/C[C@@H](O)C(C)(C)[C@@H]7CC[C@@H](C)[C@]3(O7)O4)O[C@H]6C)[C@@]3(O[C@@H](CC[C@H]3C)C1(C)C)O5)[C@H](C)O2 ZINC000255253444 KJ Annotated Anodyne C=C1CC[C@H](OC(C)=O)[C@@]2(C)OC[C@@H](C)[C@H]3C[C@H](C)[C@H](OC(=O)[C@H](O)CCCCCC)[C@@H]4[C@@H](C1)O[C@@H]2[C@@H]43 ZINC000255253992 KJ Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@H](CC=C3C[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@@H](OC)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)[C@@H](C)O4)CC[C@@H]32)[C@@]2(O)CC[C@H](C(C)=O)[C@@H]12 ZINC000255254016 KJ Annotated Anodyne C[C@H](OC(=O)/C=C/c1ccccc1)[C@]1(O)CC[C@@]2(O)[C@@]1(C)[C@H](OC(=O)c1ccccc1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]12O ZINC000255254532 KJ Annotated Anodyne CNc1ccccc1C(=O)O[C@H]1C[C@]2(C)[C@@H](O)C[C@]3(C)[C@@]4(O[C@@H]4C[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C[C@@]1(C)C=O ZINC000255255021 KJ Annotated Mild CC(=O)O[C@@H]1[C@@H](OS(=O)(=O)O)[C@@H]2CC=C3[C@@H]4CC[C@H]([C@H](C)[C@@H]5O[C@@H]5CC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O ZINC000255255290 KJ Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H](C)[C@@]34C[C@]5(C(=O)O[C@@H]6/C=C(\C)CC/C=C(\C)C[C@@H](O)[C@H]65)[C@@H](C(C)=C3C[C@H]12)[C@H]4OC(C)=O ZINC000255255291 KJ Annotated Mild COCO[C@@H]1C[C@H](O[C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](C)C=C(OC)C6=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@H](C)[C@H]1O ZINC000255255358 KJ Annotated Mild COCO[C@@H]1C[C@H](O[C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](C)C=C(OC)C6=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@H](C)[C@H]1O ZINC000255255360 KJ Annotated Mild COCO[C@@H]1C[C@H](O[C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C)C=C(OC)C6=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@H](C)[C@H]1O ZINC000255255363 KJ Annotated Mild COCO[C@@H]1C[C@H](O[C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](C)C=C(OC)C6=O)CC[C@]5(C)[C@@H]4CC[C@]32C)O[C@H](C)[C@H]1O ZINC000255255368 KJ Annotated Mild CC[C@@]12C[C@H]3C[C@]45CN6c7ccccc7[C@@]7(CCN(C[C@H]8O[C@H]81)[C@@H]27)[C@]36O[C@@H]4N1CC[C@]23C(=C(C(=O)OC)C[C@@]4(CCO[C@@H]54)[C@H]12)Nc1ccccc13 ZINC000255255444 KJ Annotated Anodyne CC[C@@]12C[C@H]3C[C@]45CN6c7ccccc7[C@]7(CCN(C[C@H]8O[C@H]81)[C@@H]27)[C@]36O[C@H]4N1CC[C@@]23C(=C(C(=O)OC)C[C@]4(CCO[C@H]45)[C@@H]12)Nc1ccccc13 ZINC000255255447 KJ Annotated Anodyne CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@H](c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C3)[C@H]1O2 ZINC000255255946 KJ Annotated Anodyne CC[C@@]12CN3CCc4c([nH]c5ccccc45)[C@@H](c4cc5c(cc4OC)N(C)[C@H]4[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C3)[C@@H]1O2 ZINC000255255948 KJ Annotated Anodyne COC1=C(C)[C@@]2(C)C[C@@H](O)[C@H]3[C@@](C)(C[C@H](C)[C@@]34[C@@](C)(O)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(C)=O)C[C@]5(C)C[C@]43OC5=O)[C@@H]2CC1=O ZINC000255256282 KJ Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@@]3(C[C@@H]1O2)NC[C@@H](C)C[C@H]3C)[C@H]1O[C@@](O)([C@@H](O)[C@H]2C[C@@H]3O[C@@]4(CC[C@]5(C=CC[C@@H](/C=C/[C@H](O)CC(=O)O)O5)O4)[C@@H](C)C[C@@H]3O2)CC[C@@H]1C ZINC000255256823 KJ Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@@H]3[C@H](C)O[C@@H](O[C@H]4[C@@H](OC)C[C@H](O[C@@H]5CC6=CC[C@H]7C(=O)[C@@H](c8ccoc8C)CC[C@@H]7[C@@]6(C)C[C@H]5O)O[C@@H]4C)C[C@H]3OC)O[C@@H]2C)O[C@H](C)[C@H]1O ZINC000255257620 KJ Annotated Anodyne CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)/C(C)=C/C=C/[C@@H](C)[C@H]1C[C@@H](CC(=O)O)CC(=O)O1)=C\c1coc(C)n1 ZINC000255257747 KJ Annotated Anodyne C#C[C@@H](O)/C=C/[C@@H](O)C/C=C/C[C@H](O)C#C[C@H](O)C#C[C@@H](O)CCC/C=C\CCC[C@@H](O)C(=O)CCCCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000255258848 KJ Annotated Mild COC(=O)[C@H](CSC1=C2NC(=O)/C(C)=C\C=C/C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O)NC(C)=O ZINC000255259189 KJ Annotated Mild COC(=O)[C@H](CSC1=C2NC(=O)/C(C)=C/C=C\C=C\[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O)NC(C)=O ZINC000255259190 KJ Annotated Mild 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CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@]34O[C@H]3C[C@@H]3[C@@H]5[C@H](CC[C@@]34C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255268145 KJ Annotated Mild CNc1ccccc1C(=O)O[C@@H](C)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7C[C@@H](OC)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C ZINC000255268815 KJ 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(=O)[C@]3(C)[C@H](O)C[C@H](OC(=O)c4ccccc4)[C@@]1(C)[C@@H]23 ZINC000255269335 KJ Annotated Anodyne COC(=O)C[C@@H]1C/C=C/C(=O)O[C@@H]([C@H](C)[C@@H](O)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@H](O)[C@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C1 ZINC000255269489 KJ Annotated Anodyne COC(=O)C[C@@H]1C/C=C/C(=O)O[C@H]([C@H](C)[C@@H](O)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C1 ZINC000255269490 KJ Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](OC(=O)C(C)C)[C@@]23[C@H](OC(C)=O)O[C@@](C)([C@@H](OC(=O)c4cccnc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)c5cccnc5)[C@@H]4[C@H]2OC(C)=O)[C@H]13 ZINC000255269537 KJ Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C/C=C/C(C)(C)O)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@]1(C)CC3 ZINC000255269540 KJ Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@H]1C/C=C\[C@@H](O)[C@@H](O)/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)[C@@H](O)/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255269921 KJ Annotated Anodyne COC(=O)[C@@]12C(OC(C)=O)=C(C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]12C ZINC000255269958 KJ Annotated Mild COC(=O)[C@@]12C(OC(C)=O)=C(C)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C ZINC000255269959 KJ Annotated Mild CO[C@@H]1O[C@@H]([C@H](O)[C@@](C)(O)CO)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255270266 KJ Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)[C@@](C)(O)CO)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255270269 KJ Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)[C@@](C)(O)CO)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255270272 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](C1=C(C)C(=O)O[C@H]1O[C@@H]1OC(=O)C(C)=C1[C@H](OC(=O)/C(C)=C\C)[C@@]1(C)[C@H](C)CC[C@@H]2O[C@@]21C=O)[C@]1(C)[C@@H](C)CC[C@H]2O[C@]21C=O ZINC000255270369 KJ Annotated Mild C=C1[C@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000255270846 KJ Annotated Mild CC[C@@H](C)C(=O)O[C@H]1[C@@H]2[C@@]3(C)CC[C@H](O[C@H]4C[C@@H](O)[C@H](OC)[C@@H](C)O4)C[C@@H]3CC[C@]23O[C@@]32CC[C@@H](C(C)=O)[C@@]2(C)[C@@H]1OC(C)=O ZINC000255270855 KJ Annotated Anodyne CC[C@H]1CCC[C@@H](O[C@H]2CC[C@H](N)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@H]3[C@H](C=C[C@H]4C[C@H](O[C@H]5O[C@H](C)[C@@H](OC)[C@H](OC)[C@H]5OC)C[C@@H]43)[C@@H]2CC(=O)O1 ZINC000255271106 KJ Annotated Mild C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)[C@@]6(COC(C)(C)O6)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000255271136 KJ Annotated Mild CCC[C@](CC)(CO[C@H](CC(C)C)[C@H]1O[C@@](O)(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](C)C[C@@H]1C)OC[C@@]1(C)CC[C@@]2(C[C@H](O)[C@@H](C)[C@H]([C@H](C)[C@H](OC)C(C)C)C2)O1 ZINC000255271162 KJ Annotated Anodyne COC(=O)c1coc(-c2coc(/C=C/CC[C@@H](C)[C@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@@H](OC)C(N)=O)n2)n1 ZINC000255271290 KJ Annotated Mild C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C2=N[C@@H](CC2)C1=O ZINC000255271564 KJ Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@]123)C4(C)C ZINC000255271580 KJ Annotated Mild C=C(C)[C@]1(OC(=O)c2ccccc2)[C@H]2O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](OC(=O)c4ccccc4)[C@@]4(O)C(=CC(=C(Cl)Cl)[C@@H]4O)[C@@]1(O3)[C@@H]2C ZINC000255271676 KJ Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)c4cccnc4)[C@]4(C)[C@H](C(C)=O)CC[C@]54O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255271697 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@](O)([C@@H](C)OC(=O)c5ccccc5)CC[C@]43O)C2)O[C@H](C)[C@H]1O ZINC000255271865 KJ Annotated Anodyne CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@](O)([C@H](C)OC(=O)c5ccccc5)CC[C@]43O)C2)O[C@H](C)[C@H]1O ZINC000255271866 KJ Annotated Anodyne CC[C@H](C)CC(=O)N(C)[C@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C ZINC000255271882 KJ Annotated Anodyne C/C=C1/CCN(C)[C@@H]2Cc3c(n([C@H]4C[C@H]5/C(=C\C)CN(C)[C@@H](Cc6c4[nH]c4ccccc64)[C@@]5(CO)C(=O)OC)c4ccccc34)[C@H](O)[C@@H]1[C@]2(CO)C(=O)OC ZINC000255271991 KJ Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000255272108 KJ Annotated Mild CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255272125 KJ Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255272126 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@@]3(C)[C@@H]4[C@@H](O)C=C5[C@@H](CC[C@H](O[C@@H]6OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@H](C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000255272355 KJ Annotated Anodyne CC[C@H](O)C[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1OC(=O)/C=C/[C@](C)(O)[C@@H](O)[C@@H](C)[C@H](O)C[C@@H](O)[C@@](C)(O)CCCCC/C=C/[C@]34CC(C)(C)O[C@@]3(C[C@H](O2)[C@H]1C)O4 ZINC000255272553 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)CC[C@]3(C)[C@@H]12 ZINC000255272558 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)CC[C@]3(C)[C@@H]12 ZINC000255272559 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC[C@]34C)[C@]23O[C@H]13 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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)OCC ZINC000255280225 KJ Annotated Mild CC[C@H](O)C[C@@H]1CCC[C@]2(C[C@@H]3OC(=O)/C=C/[C@](C)(O)[C@H](O)[C@H](C)[C@@H](O)[C@@H](O[C@H]4CC[C@@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@@](C)(O)CCCCC/C=C/[C@H]4CC(C)(C)O[C@]4(O)C[C@@H](O2)[C@H]3C)O1 ZINC000255280369 KJ Annotated Anodyne CC1=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@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O ZINC000255280511 KJ Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H]5O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000255280593 KJ Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000255280594 KJ Annotated Anodyne C[C@H]1C(CO)=CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)[C@@](C)(COS(=O)(=O)O)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255280630 KJ Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@@H]3CC4=CC[C@H]5C(=O)[C@H](c6ccoc6C)CC[C@@H]5[C@@]4(C)C[C@H]3O)O[C@@H]2C)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255280640 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@@H]3CC4=CC[C@H]5C(=O)[C@@H](c6ccoc6C)CC[C@@H]5[C@@]4(C)C[C@H]3O)O[C@@H]2C)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255280641 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@@H]2CC3=CC[C@H]4C(=O)[C@@H](c5ccoc5C)CC[C@@H]4[C@@]3(C)C[C@H]2O)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 ZINC000255280642 KJ Annotated Anodyne C=C1[C@@H]2[C@H]([C@H]([C@H](C)OC(C)=O)C(=O)[C@@H]2OC(=O)[C@H](C)CC)[C@@H]([C@]2(C)CO2)[C@H](OC(=O)/C=C(/C)CC)[C@@H]1OC(=O)[C@H](C)CC ZINC000255280906 KJ Annotated Mild C[C@@H]1C(=O)C[C@@H](O)CC/C=C/C=C\CC[C@@H](C)OC(=O)[C@H](O)[C@]2(O)O[C@@H](CC[C@H]2C)[C@H](C)C(=O)C[C@H](O)CC/C=C/C=C\CC[C@@H](C)OC(=O)[C@@H](O)[C@]2(O)O[C@H]1CC[C@H]2C ZINC000255281501 KJ Annotated Anodyne CCC[C@H](O)[C@@H](OC)[C@H]1O[C@]1(C)[C@@H](O)C/C=C/[C@@H]1OC(=O)/C=C/C=C/[C@@H](O)[C@H](O)/C=C/C(C)=C/[C@H](C)CCC[C@@H](OC)[C@H](O)/C=C/C(C)=C/[C@@H](C)[C@H](O)[C@H]1OC ZINC000255281738 KJ Annotated Anodyne CC1(C)O[C@H]([C@@H]2OC2(C)C)O[C@@H]2[C@@H]3O[C@]34[C@@H](CC[C@@]3(C)[C@]5(C)c6[nH]c7ccccc7c6C[C@H]5CC[C@@]34O)O[C@H]21 ZINC000255281812 KJ Annotated Anodyne CCCC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255281823 KJ Annotated Mild CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O)CCC[C@H](C6CCC6)OC(=O)C[C@H]5[C@@H]4C=C(C)[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000255281852 KJ Annotated Mild C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/C=C/CCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000255281902 KJ Annotated Mild C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)C[C@@H]5O[C@@H]5[C@H]4O[C@H]3C[C@H]2O1 ZINC000255282274 KJ Annotated Reactive C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000255282617 KJ Annotated Anodyne COC(C)(C)[C@H]1O[C@]23C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@H]2[C@H](C)C[C@H]1O3 ZINC000255282910 KJ Annotated Anodyne C=C1[C@@H]2[C@H](/C(=C/C)C(=O)[C@@H]2OC(=O)[C@H](C)CC)[C@@H]([C@]2(C)CO2)[C@H](OC(=O)/C=C(/C)CC)[C@@H]1OC(=O)[C@H](C)CC ZINC000255283385 KJ Annotated Mild C=C1[C@@H]2[C@H](/C(=C\C)C(=O)[C@@H]2OC(=O)[C@H](C)CC)[C@@H]([C@]2(C)CO2)[C@H](OC(=O)/C=C(/C)CC)[C@@H]1OC(=O)[C@H](C)CC ZINC000255283389 KJ Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255283592 KJ Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255283595 KJ Annotated Anodyne CO[C@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](OC)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000255284024 KJ Annotated Anodyne CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000255284039 KJ Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3[C@H]4O[C@H]4[C@H]4[C@H](C)OC(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255284094 KJ Annotated Mild CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H]([C@@H](C)O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 ZINC000255284095 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H]([C@@H](C)O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 ZINC000255284096 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@](C)([C@@H](C)C(=O)OC)[C@@H](CC(=O)OC)[C@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](C)[C@@]3(C(C)=C[C@H](OC(C)=O)[C@@]4(C)[C@@H](OC(C)=O)C[C@]5(C)C[C@]34OC5=O)[C@@H]12 ZINC000255284399 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@](C)([C@@H](C)C(=O)OC)[C@@H](CC(=O)OC)[C@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](C)[C@@]3(C(C)=C[C@H](OC(C)=O)[C@@]4(C)[C@@H](OC(C)=O)C[C@]5(C)C[C@]34OC5=O)[C@@H]12 ZINC000255284400 KJ Annotated Anodyne C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@]5(CCCCCCC[C@@H](C)[C@H]6[C@H](C)[C@H](O)[C@@](O)([C@H](O)[C@@]7(COC(=O)/C=C/c8ccccc8)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000255284471 KJ Annotated Mild C/C1=C\C=C\C=C\C=C\C=C\C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)CC(=O)C[C@@H](O)C[C@H](O)CC(=O)CCCCCCC[C@H](C(C)C)OC1=O ZINC000255284472 KJ Annotated Anodyne CC[C@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)C[C@H]1C(C)(C)OC(=O)C[C@H](O)[C@@]12C ZINC000255284508 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 ZINC000255284680 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@@H](O)[C@H](C)O2)[C@@H](C)O1 ZINC000255284681 KJ Annotated Anodyne CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)C(=CC[C@@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]5(C)[C@](O)(C(C)=O)CC[C@]56O)C4)C[C@H]3OC)C[C@H]2OC)O[C@H](C)[C@H]1O ZINC000255284682 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]54O)C3)O[C@@H]2C)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255284683 KJ Annotated Anodyne CO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)/C=C/[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@H]3CCC[C@@H](C)[C@@H]3[C@H](C)[C@H](O)[C@H]3C(=O)CO[C@@H]3O)CO)O2)O1 ZINC000255285009 KJ Annotated Anodyne CC[C@H]1[C@H]2[C@H]([C@H](C)c3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C/C(=O)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@@]21C ZINC000255285171 KJ Annotated Mild CC(=O)N[C@@H](CSC1=C2NC(=O)/C(C)=C/C=C\C=C\[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O)C(=O)O ZINC000255285717 KJ Annotated Mild CC(=O)N[C@@H](CSC1=C2NC(=O)/C(C)=C\C=C/C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O)C(=O)O ZINC000255285724 KJ Annotated Mild C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000255286660 KJ Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255286789 KJ Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255286790 KJ Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000255286817 KJ Annotated Anodyne COC(=O)[C@@H](NC(=O)C[C@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1OC(C)=O)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3)C(C)C ZINC000255286858 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(N5CCC[C@@H]5[C@H](C)O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000255286910 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(N5CCC[C@@H]5[C@H](C)O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000255286911 KJ Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3[C@]1(C)CO ZINC000255286912 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3/C(C)=C/C[C@H]4C[C@@H](C[C@@]5(C=C[C@@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000255286923 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)C=CC(=O)[C@@H](C)[C@@H]4[C@H](O)C(=O)[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255286977 KJ Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)C(=O)[C@@H](O)[C@H]2[C@H](C)C(=O)C=C[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255286978 KJ Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@]2(C)C(=O)[C@@H](O)[C@H]2[C@H](C)C(=O)C=C[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255286979 KJ Annotated Mild 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@@H]3C[C@@H]([C@H](O)C(C)(C)O)O[C@H]3O)[C@]12C ZINC000255287068 KJ Annotated Anodyne CC1=C[C@@H](C)CC=C[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)C=CC(=O)C1 ZINC000255287135 KJ Annotated Mild C[C@@H](CCC(=O)[C@H](O)[C@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1N)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255287181 KJ Annotated Anodyne CC1=C[C@@H]2C(=O)O[C@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@H]1O)[C@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000255287269 KJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)C1(C)C ZINC000255287273 KJ Annotated Anodyne CC(C)[C@@H](C)C(=O)C[C@](C)(O)[C@H]1CC[C@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255287551 KJ Annotated Anodyne CO[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@H]5O[C@H](C(C)(C)O)CC(=O)[C@@H](C)[C@@H]5[C@@]4(C)CC(=O)[C@]32C)C(C)(C)C1=O ZINC000255287696 KJ Annotated Anodyne C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC=C[C@@H](/C=C/[C@H](O)CC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)CC[C@@H]1C ZINC000255287798 KJ Annotated Mild C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC=C[C@@H](/C=C\[C@H](O)CC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)CC[C@@H]1C ZINC000255287799 KJ Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2C2=CO[C@@H](C(C)(C)O)[C@H](O)C2=O)[C@]2(C)C(=O)C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@H]12 ZINC000255287801 KJ Annotated Mild COC(=O)/C(C)=C/[C@H](O)C[C@@H](C)[C@]1(C)CC(=O)[C@H]2[C@@]34CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@]3(CC[C@]21C)O4 ZINC000255287869 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OS(=O)(=O)O)[C@@H]2CC=C3[C@@H]4CC[C@H]([C@H](C)[C@@H]5O[C@H]5[C@@H](C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O ZINC000255287897 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OS(=O)(=O)O)[C@@H]2CC=C3[C@@H]4CC[C@H]([C@H](C)[C@@H]5O[C@H]5[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O ZINC000255287898 KJ Annotated Anodyne C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)C(=Cc5c4[nH]c4ccc6c(c54)[C@@]4(O)[C@H](C[C@@H]4C(C)(C)O)C(=C)C6)CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O ZINC000255287970 KJ Annotated Mild CC(=O)O[C@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)C(C)(C)O ZINC000255288081 KJ Annotated Mild CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3C[C@@H]4CC[C@@]56O[C@@H](C)[C@@H]7CCC(=O)[C@]7(C)[C@@H](C[C@@H]5[C@@]4(C)C[C@H]3O)O6)C[C@H]2OC)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 ZINC000255288121 KJ Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H]2[C@@]3(C)[C@@H](OC(C)=O)CC(=O)OC(C)(C)[C@@H]3CC(=O)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C ZINC000255288136 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000255968125 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](OC)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000255997990 KJ Annotated Anodyne CC[C@@H]1C(=O)N[C@H](Cc2[nH]c(/C=C3/N=C(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@H]1C ZINC000256003328 KJ Annotated Anodyne in-vitro endogenous CC[C@@H]1C(=O)N[C@H](Cc2[nH]c(/C=C3/N=C(C[C@@H]4NC(=O)[C@H](C)[C@@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@H]1C ZINC000256003329 KJ Annotated Anodyne in-vitro endogenous CC[C@@H]1C(=O)N[C@H](Cc2[nH]c(/C=C3/N=C(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@@H]1C ZINC000256003330 KJ Annotated Anodyne in-vitro endogenous C=C(CC/C=C/C=C/C[C@H](C)CC(=O)C[C@H](O)CNC(=O)[C@H](C)[C@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000256066674 KJ Annotated Mild in-vitro C=C(CC/C=C/C=C/C[C@H](C)CC(=O)C[C@H](O)CNC(=O)[C@H](C)[C@@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000256066677 KJ Annotated Mild in-vitro C=C(CC/C=C/C=C/C[C@H](C)CC(=O)C[C@H](O)CNC(=O)[C@H](C)[C@@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000256066679 KJ Annotated Mild in-vitro C=C(CC/C=C/C=C/C[C@H](C)CC(=O)C[C@H](O)CNC(=O)[C@H](C)[C@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000256066681 KJ Annotated Mild in-vitro Cc1cc(S(=O)(=O)O)ccc1N=Nc1ccc(NN=C2C(=O)C=Cc3cccc(S(=O)(=O)O)c32)c(C)c1 ZINC000256124624 KJ Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000256301549 KJ Annotated Clean CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000256301560 KJ Annotated Clean CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)c(=O)o1)CO ZINC000256302487 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)c(=O)o1)CO ZINC000256302490 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)c(=O)o1)CO ZINC000256302494 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)c(=O)o1)CO ZINC000256302497 KJ Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000256965500 KJ Annotated Anodyne in-man endogenous CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)C4(C)C)[C@@]3(C)CC[C@@]12C ZINC000256965501 KJ Annotated Anodyne in-man endogenous CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000256965502 KJ Annotated Anodyne in-man endogenous CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)C4(C)C)[C@@]3(C)CC[C@]12C ZINC000256965503 KJ Annotated Anodyne in-man endogenous C=CC1=C(C)C2=CC3=NC(=C(CC(=O)O)C4=NC(=C(C)C4=C(O)O)C=c4[nH]c(c(C)c4CC)=CC1=N2)[C@H](CCC(=O)O)[C@H]3C ZINC000257132538 KJ Annotated Anodyne C=CC1=C(C)C2=CC3=NC(=C(CC(=O)O)C4=NC(=C(C)C4=C(O)O)C=c4[nH]c(c(C)c4CC)=CC1=N2)[C@@H](CCC(=O)O)[C@H]3C ZINC000257132540 KJ Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000257136703 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000257136704 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000257136705 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000257157552 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000257157553 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000257157554 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000257157555 KJ Annotated Anodyne CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000257362200 KJ Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](O)(CC)[C@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@]2(O)O[C@](CC)([C@H](C)O)C[C@H]2C)C[C@H]1C ZINC000257398875 KJ Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](O)(CC)[C@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@]2(O)O[C@](CC)([C@H](C)O)C[C@H]2C)C[C@@H]1C ZINC000257398876 KJ Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](O)(CC)[C@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@]2(O)O[C@](CC)([C@H](C)O)C[C@@H]2C)C[C@H]1C ZINC000257398877 KJ Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](O)(CC)[C@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@]2(O)O[C@](CC)([C@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000257398878 KJ Annotated Anodyne CC(/C=C/[C@@H]1O[C@H]([C@]2(O)OCC[C@H](C)[C@@H]2O)C[C@@H]1O)=C\[C@H](C)C[C@]1(C)CC[C@H]([C@@]23CC[C@@](C)(C[C@H]([C@@H]4O[C@](C)([C@H](O)[C@@H]5CC[C@]6(CCC[C@@H]([C@@H](C)C(=O)O)O6)O5)CC4=O)O2)O3)O1 ZINC000257404541 KJ Annotated Anodyne CC(/C=C/[C@@H]1O[C@H]([C@]2(O)OCC[C@H](C)[C@@H]2O)C[C@@H]1O)=C\[C@H](C)C[C@]1(C)CC[C@H]([C@@]23CC[C@@](C)(C[C@H]([C@@H]4O[C@](C)([C@H](O)[C@@H]5CC[C@]6(CCC[C@H]([C@@H](C)C(=O)O)O6)O5)CC4=O)O2)O3)O1 ZINC000257404542 KJ Annotated Anodyne CC(/C=C/[C@@H]1O[C@H]([C@]2(O)OCC[C@H](C)[C@@H]2O)C[C@@H]1O)=C\[C@H](C)C[C@]1(C)CC[C@H]([C@@]23CC[C@@](C)(C[C@H]([C@@H]4O[C@](C)([C@H](O)[C@@H]5CC[C@]6(CCC[C@H]([C@H](C)C(=O)O)O6)O5)CC4=O)O2)O3)O1 ZINC000257404543 KJ Annotated Anodyne CC(/C=C/[C@@H]1O[C@H]([C@]2(O)OCC[C@H](C)[C@@H]2O)C[C@@H]1O)=C\[C@H](C)C[C@]1(C)CC[C@H]([C@@]23CC[C@@](C)(C[C@H]([C@@H]4O[C@](C)([C@H](O)[C@@H]5CC[C@]6(CCC[C@@H]([C@H](C)C(=O)O)O6)O5)CC4=O)O2)O3)O1 ZINC000257404544 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@]1(C)O ZINC000257404886 KJ Annotated Anodyne C/C(=C\C(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=O)C[C@@H]1C[C@H](O)[C@](O)(C/C=C/[C@H](C)[C@H](C)O)CO1 ZINC000257413187 KJ Annotated Anodyne C/C(=C\C(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=O)C[C@@H]1C[C@H](O)[C@](O)(C/C=C/[C@@H](C)[C@H](C)O)CO1 ZINC000257413188 KJ Annotated Anodyne CC(C)C(=O)C[C@@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257423136 KJ Annotated Anodyne CC(C)C(=O)C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257423137 KJ Annotated Anodyne CC(C)C(=O)C[C@@H](O)[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257423138 KJ Annotated Anodyne CC(C)C(=O)C[C@H](O)[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257423139 KJ Annotated Anodyne C=C(C)[C@]12C[C@H](C)[C@@]34O[C@@]5(CCCCCCC[C@H](C)[C@@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@](O)([C@H](O)[C@]7(CO)O[C@@H]7[C@H]3[C@H]1O5)[C@H]64)O2 ZINC000257441755 KJ Annotated Mild C=C(C)[C@]12C[C@H](C)[C@@]34O[C@@]5(CCCCCCC[C@H](C)[C@@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@](O)([C@H](O)[C@]7(CO)O[C@@H]7[C@@H]3[C@H]1O5)[C@@H]64)O2 ZINC000257441756 KJ Annotated Mild C=C(C)[C@]12C[C@H](C)[C@@]34O[C@@]5(CCCCCCC[C@H](C)[C@@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@](O)([C@H](O)[C@]7(CO)O[C@@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000257441757 KJ Annotated Mild C=C(C)[C@]12C[C@H](C)[C@@]34O[C@@]5(CCCCCCC[C@H](C)[C@@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@](O)([C@H](O)[C@]7(CO)O[C@@H]7[C@@H]3[C@H]1O5)[C@H]64)O2 ZINC000257441758 KJ Annotated Mild CC(C)[C@@](O)(CO)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257455178 KJ Annotated Anodyne CC(C)[C@@](O)(CO)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257455179 KJ Annotated Anodyne CC(C)[C@](O)(CO)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257455180 KJ Annotated Anodyne CC(C)[C@](O)(CO)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257455181 KJ Annotated Anodyne CC[C@@]12O[C@H]([C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C(=CC(=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@H]35)C[C@@](C)(O1)C(C)(C)O2 ZINC000257455788 KJ Annotated Mild CC[C@@]12O[C@H]([C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C(=CC(=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@@H]35)C[C@@](C)(O1)C(C)(C)O2 ZINC000257455789 KJ Annotated Mild CC[C@@]12O[C@H]([C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C(=CC(=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@@H]3O[C@@H]53)C[C@@](C)(O1)C(C)(C)O2 ZINC000257455790 KJ Annotated Mild CC[C@@]12O[C@H]([C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C(=CC(=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@@H]3O[C@H]53)C[C@@](C)(O1)C(C)(C)O2 ZINC000257455791 KJ Annotated Mild CO[C@@H]1O[C@]23C=C[C@H]4[C@@]1(CC[C@@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@]41C)[C@@H]2CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3(C)C ZINC000257460074 KJ Annotated Anodyne CO[C@@H]1O[C@]23C=C[C@H]4[C@@]1(CC[C@@]1(C)[C@@H]([C@@H](C)C/C=C/C(C)(C)OC)CC[C@]41C)[C@@H]2CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3(C)C ZINC000257460075 KJ Annotated Anodyne CO[C@@H]1O[C@]23C=C[C@H]4[C@@]1(CC[C@@]1(C)[C@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@]41C)[C@@H]2CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3(C)C ZINC000257460076 KJ Annotated Anodyne CO[C@@H]1O[C@]23C=C[C@H]4[C@@]1(CC[C@@]1(C)[C@H]([C@@H](C)C/C=C/C(C)(C)OC)CC[C@]41C)[C@@H]2CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3(C)C ZINC000257460077 KJ Annotated Anodyne COC(=O)[C@]1(C)C[C@@H]2[C@]3(C)CC[C@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C(=O)OC)C[C@@H]1O ZINC000257469699 KJ Annotated Mild COC(=O)[C@]12CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@@]4(C)CC[C@@]3(C)[C@H]1C[C@@](C)(C(=O)OC)[C@@H](O)C2 ZINC000257469700 KJ Annotated Mild COC(=O)[C@]1(C)C[C@@H]2[C@]3(C)CC[C@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C(=O)OC)C[C@H]1O ZINC000257469701 KJ Annotated Mild COC(=O)[C@]12CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@@]4(C)CC[C@@]3(C)[C@H]1C[C@@](C)(C(=O)OC)[C@H](O)C2 ZINC000257469702 KJ Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)C[C@@H](O)[C@H]1C ZINC000257477184 KJ Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)C[C@H](O)[C@H]1C ZINC000257477185 KJ Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)C[C@H](O)[C@@H]1C ZINC000257477186 KJ Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)C[C@@H](O)[C@@H]1C ZINC000257477187 KJ Annotated Mild COC(C)(C)/C=C/C[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC[C@@]3(CC[C@]12C)[C@@H]4CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C5(C)C ZINC000257485944 KJ Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC[C@@]3(CC[C@]12C)[C@@H]4CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C5(C)C ZINC000257485945 KJ Annotated Anodyne COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC[C@@]3(CC[C@]12C)[C@@H]4CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C5(C)C ZINC000257485946 KJ Annotated Anodyne COC(C)(C)/C=C/C[C@H](C)[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC[C@@]3(CC[C@]12C)[C@@H]4CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C5(C)C ZINC000257485947 KJ Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000257489368 KJ Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000257489369 KJ Annotated Mild CO[C@@H]1C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257489370 KJ Annotated Mild CO[C@@H]1C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257489371 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257490847 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257490848 KJ Annotated Anodyne O=C1O[C@H]2Cc3c(O)cc(O)c(c3O[C@H]2c2cc(O)c(O)c(O)c2)[C@H]2c3c(O)cc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000257503655 KJ Annotated Clean O=C1O[C@H]2Cc3c(O)cc(O)c(c3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@H]2c3c(O)cc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000257503656 KJ Annotated Clean O=C1O[C@H]2Cc3c(O)cc(O)c(c3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@H]2c3c(O)cc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000257503657 KJ Annotated Clean O=C1O[C@H]2Cc3c(O)cc(O)c(c3O[C@H]2c2cc(O)c(O)c(O)c2)[C@H]2c3c(O)cc(O)cc3O[C@@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1 ZINC000257503658 KJ Annotated Clean COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)[C@@H](C)CNC2=O)cc1Cl ZINC000257515859 KJ Annotated Anodyne COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000257515860 KJ Annotated Anodyne COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](C)CNC2=O)cc1Cl ZINC000257515861 KJ Annotated Anodyne COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000257515862 KJ Annotated Anodyne CC(=O)OC[C@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@@]12CC[C@@](C)(C[C@@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000257536969 KJ Annotated Anodyne CC(=O)OC[C@](O)([C@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@@]12CC[C@@](C)(C[C@@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000257536970 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000257541848 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000257541849 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)[n+]1cccc(O)c1)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000257541850 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000257541851 KJ Annotated Anodyne CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]2O[C@]3(C[C@@]4(C)CC[C@@H](C(C)(C)O)CC4=C(C)C3=O)C(=O)[C@H]2C1=O ZINC000257542477 KJ Annotated Mild CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)C[C@]2(O[C@@H]3[C@H](C(=O)C(C)=C4C[C@@H](C(C)(C)O)CC[C@]43C)C2=O)C1=O ZINC000257542478 KJ Annotated Mild CC1=C2C[C@@H](C(C)(C)O)CC[C@]2(C)[C@@H]2O[C@]3(C[C@@]4(C)CC[C@@H](C(C)(C)O)CC4=C(C)C3=O)C(=O)[C@H]2C1=O ZINC000257542479 KJ Annotated Mild CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)C[C@]2(O[C@@H]3[C@H](C(=O)C(C)=C4C[C@H](C(C)(C)O)CC[C@]43C)C2=O)C1=O ZINC000257542480 KJ Annotated Mild CC[C@@H]1C(=O)N[C@H](Cc2[nH]c(/C=C3\N=C(C[C@@H]4NC(=O)[C@H](C)[C@@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@H]1C ZINC000257550094 KJ Annotated Anodyne COC(=O)c1coc(-c2coc(/C=C/CC[C@H](C)[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)C(N)=O)n2)n1 ZINC000257552696 KJ Annotated Mild COC(=O)c1coc(-c2coc(/C=C/CC[C@H](C)[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@@H](OC)C(N)=O)n2)n1 ZINC000257552697 KJ Annotated Mild COC(=O)c1coc(-c2coc(/C=C/CC[C@H](C)[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)C(N)=O)n2)n1 ZINC000257552698 KJ Annotated Mild COC(=O)c1coc(-c2coc(/C=C/CC[C@H](C)[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H](C)[C@H](OC)C(N)=O)n2)n1 ZINC000257552699 KJ Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000257554324 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000257554325 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000257554326 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)[n+]1cccc(O)c1)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000257554327 KJ Annotated Anodyne C=CC1=C(C)[C@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC)[C@H](CCC(=O)O)[C@H]2C)NC1=O ZINC000257555019 KJ Annotated Anodyne C=CC1=C(C)[C@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC)[C@@H](CCC(=O)O)[C@H]2C)NC1=O ZINC000257555020 KJ Annotated Anodyne C=CC1=C(C)[C@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC)[C@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000257555021 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C=C5[C@H](CC[C@H](O[C@@H]6OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]6O)C5(C)C)[C@@]4(C)CC[C@]3(C)[C@@H]2[C@H](C)CCC=C(C)C)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000257559813 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C=C5[C@H](CC[C@H](O[C@@H]6OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]6O)C5(C)C)[C@@]4(C)CC[C@]3(C)[C@@H]2[C@H](C)CCC=C(C)C)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000257559814 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C=C5[C@H](CC[C@H](O[C@@H]6OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6O)C5(C)C)[C@@]4(C)CC[C@]3(C)[C@@H]2[C@H](C)CCC=C(C)C)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000257559815 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C=C5[C@H](CC[C@H](O[C@@H]6OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6O)C5(C)C)[C@@]4(C)CC[C@]3(C)[C@@H]2[C@H](C)CCC=C(C)C)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000257559816 KJ Annotated Anodyne C=C(CC/C=C\C=C\C[C@H](C)CC(=O)C[C@H](O)CNC(=O)C[C@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000257580873 KJ Annotated Mild in-vitro C=C(CC/C=C\C=C\C[C@H](C)CC(=O)C[C@H](O)CNC(=O)C[C@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000257580876 KJ Annotated Mild in-vitro C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)[C@@H]1[C@H](C)[C@H](O)[C@H](C)[C@@H]1/C=C/C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000257604604 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCCCC[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000257616751 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000257616752 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000257616753 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCCCC[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000257616754 KJ Annotated Anodyne CC[C@H](O)C[C@@H]1CCC[C@]2(C[C@H]3OC(=O)/C=C/[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@H](O[C@@H]4CC[C@H](N(C)C)[C@H](C)O4)[C@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@@H](O2)[C@@H]3C)O1 ZINC000257620183 KJ Annotated Anodyne CC[C@H](O)C[C@@H]1CCC[C@]2(C[C@H]3OC(=O)/C=C/[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@H](O[C@@H]4CC[C@H](N(C)C)[C@H](C)O4)[C@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@]4(O)C[C@@H](O2)[C@@H]3C)O1 ZINC000257620184 KJ Annotated Anodyne CC[C@H](O)C[C@@H]1CCC[C@]2(C[C@H]3OC(=O)/C=C/[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@H](O[C@@H]4CC[C@H](N(C)C)[C@H](C)O4)[C@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@]4(O)C[C@@H](O2)[C@H]3C)O1 ZINC000257620185 KJ Annotated Anodyne CC[C@H](O)C[C@@H]1CCC[C@]2(C[C@H]3OC(=O)/C=C/[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@H](O[C@@H]4CC[C@H](N(C)C)[C@H](C)O4)[C@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@@H](O2)[C@H]3C)O1 ZINC000257620186 KJ Annotated Anodyne C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/[C@H](O)CC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)CC[C@H]1C ZINC000257800314 KJ Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/[C@H](O)CC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)CC[C@H]1C ZINC000257800321 KJ Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/[C@H](O)CC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)CC[C@@H]1C ZINC000257800327 KJ Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/[C@H](O)CC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)CC[C@@H]1C ZINC000257800750 KJ Annotated Mild CC(C)CNC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000257853949 KJ Annotated Anodyne CC(C)CC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000257874950 KJ Annotated Anodyne O=C([C@H]1CCCN1)N1CCC[C@H]1P(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000026000399 KJ Annotated Anodyne O=C([C@H]1CCCN1)N1CCC[C@@H]1P(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000026000405 KJ Annotated Anodyne COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1-c1ccccc1)CCCN2 ZINC000026002006 KJ Annotated Anodyne COc1cc(Br)c(-n2c(=O)n(C)c3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1 ZINC000026005456 KJ Annotated Anodyne COc1cc(Br)c(-n2c(=O)[nH]c3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1 ZINC000026006845 KJ Annotated Anodyne CC(C)(C)C(=O)Oc1ccc(C(=O)OCc2cc(=O)c(OC(=O)C(C)(C)C)co2)c(OC(=O)C(C)(C)C)c1 ZINC000026006931 KJ Annotated Anodyne O=C(O)COCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2C[C@@]1(c1ccc(F)cc1)CO2 ZINC000026007676 KJ Annotated Anodyne O=C(O)COCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@]1(c1ccc(F)cc1)CO2 ZINC000026007683 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@]2(CC#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)SC(=O)NC2=O)cc1 ZINC000026028237 KJ Annotated Mild Cc1ccc(S(=O)(=O)[C@]2(CC#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)SC(=O)NC2=O)cc1 ZINC000026028244 KJ Annotated Mild COc1cc2cc(CO)c(CO)c(-c3ccc(-n4nc(-c5cccnc5)c5ccccc5c4=O)nc3)c2cc1OC ZINC000026028541 KJ Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(C[C@@H](O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 ZINC000026146889 KJ Annotated Mild Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(C[C@H](O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 ZINC000026146895 KJ Annotated Mild O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148886 KJ Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148892 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148902 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148909 KJ Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4cccnc4)[C@@H](OC(=O)c4cccnc4)[C@H]3OC(=O)c3cccnc3)c(Cl)c2c1 ZINC000026149985 KJ Annotated Anodyne C=CCCCCCCCCOC(=O)N(CC=C)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026155913 KJ Annotated Mild COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C)C)O1)OC ZINC000026157907 KJ Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026159673 KJ Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026159681 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026159693 KJ Annotated Anodyne O=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 ZINC000026160431 KJ Annotated Anodyne O=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CS[C@H](c2cccnc2)N1 ZINC000026160440 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN3CCC[C@@H]3c3ccccn3)c2=O)c1 ZINC000026165027 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN3CCC[C@H]3c3ccccn3)c2=O)c1 ZINC000026165032 KJ Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]3OC(=O)C(C)C)c(Cl)c2c1 ZINC000026166519 KJ Annotated Anodyne O=C(O)C[C@@H](NS(=O)(=O)c1cccc(-c2cccc(NC(=O)N=c3[nH]c4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000026170964 KJ Annotated Anodyne O=C(O)C[C@H](NS(=O)(=O)c1cccc(-c2cccc(NC(=O)N=c3[nH]c4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000026170968 KJ Annotated Anodyne CN(C(=O)CN1CCOCC1)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Br)c2)o1 ZINC000026171940 KJ Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000026173602 KJ Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000026173607 KJ Annotated Anodyne N=C(c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2)cc1)N1CCCCC1 ZINC000026179992 KJ Annotated Anodyne COc1ccc(-c2cccc(NC(=O)NCc3ccccn3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccccc1 ZINC000026181566 KJ Annotated Anodyne COc1ccc(-c2cccc(NC(=O)NCc3ccccn3)c2)cc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1 ZINC000026181571 KJ Annotated Anodyne COC(=O)C/C(C(=O)OC)=C(/CCCCCCCCCCCCCCCCOS(=O)(=O)O)C(=O)OC ZINC000026182846 KJ Annotated Anodyne COc1cc(C(=O)Nc2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000026184482 KJ Annotated Anodyne COc1cc(C(=O)Nc2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000026184486 KJ Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000026253670 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000026253677 KJ Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254937 KJ Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254944 KJ Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254951 KJ Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254959 KJ Annotated Anodyne CCOC(=O)N1c2ccccc2[C@@H](S(=O)(=O)c2ccccc2)[C@H](O)[C@H]1C#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1 ZINC000026264737 KJ Annotated Mild COc1cc2c(cc1OCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026269930 KJ Annotated Reactive CCOC(=O)CCCCOc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C ZINC000026270915 KJ Annotated Bother COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](Nc3cc(OC)c(OC)c(OC)c3)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000026275103 KJ Annotated Anodyne COc1cc(N[C@@H]2c3c([nH]c4ccccc34)[C@@H](c3cc(OC)c(O)c(OC)c3)N3C(=O)OC[C@H]23)ccc1O ZINC000026275108 KJ Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)NCCC(=O)OCc4ccccc4)ccc3n(C)c12 ZINC000026278265 KJ Annotated Bother COc1cc(N[C@@H]2c3c([nH]c4ccccc34)[C@@H](c3cc(OC)c(O)c(OC)c3)N3C(=O)OC[C@H]23)cc(OC)c1O ZINC000026282017 KJ Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCCCCC(=O)O)ccc3n(C)c12 ZINC000026282400 KJ Annotated Bother Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(N)(=O)=O ZINC000026284244 KJ Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(N)(=O)=O ZINC000026284249 KJ Annotated Mild COC(=O)c1ccc(N[C@@H]2c3c([nH]c4ccccc34)[C@@H](c3cc(OC)c(O)c(OC)c3)N3C(=O)OC[C@H]23)cc1 ZINC000026287748 KJ Annotated Anodyne COC(=O)c1c(-c2cc(OC)c(O)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026288000 KJ Annotated Clean Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCC(=O)OCc4ccccc4)ccc3n(C)c12 ZINC000026290739 KJ Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc3n(C)c12 ZINC000026291071 KJ Annotated Bother COc1cc(-c2c(C(=O)N(C)C)n(-c3ccc(N)cc3)c(=O)c3cc(OCc4ccccn4)ccc23)cc(OC)c1OC ZINC000026291185 KJ Annotated Clean CNC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026291190 KJ Annotated Clean CCCCS(=O)(=O)/N=C(\O)[C@@H](CCSC)NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000026295068 KJ Annotated Mild CCCCS(=O)(=O)/N=C(\O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000026295073 KJ Annotated Mild CCCCS(=O)(=O)/N=C(\O)[C@@H](CC)NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000026295078 KJ Annotated Mild CCCCS(=O)(=O)/N=C(\O)[C@H](CC)NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000026295081 KJ Annotated Mild CC(C)c1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc(C(C)C)n1 ZINC000026379211 KJ Annotated Anodyne COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(NCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1 ZINC000026388439 KJ Annotated Anodyne Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000026388764 KJ Annotated Bother CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026388768 KJ Annotated Anodyne CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026388772 KJ Annotated Anodyne CCC[C@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026393609 KJ Annotated Anodyne CCC[C@@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026393612 KJ Annotated Anodyne O=C(NCCCNCCCCNCCCNC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O)c1cnc2cc(C(F)(F)F)ccc2c1O ZINC000026395281 KJ Annotated Anodyne CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)c2ccc(C(=N)N3CCN(c4ccc(F)cc4)CC3)cc2F)CC1 ZINC000026399530 KJ Annotated Anodyne CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)c2ccc(C(=N)N3CCN(c4ccc(F)cc4)CC3)cc2F)CC1 ZINC000026399534 KJ Annotated Anodyne COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1 ZINC000026400514 KJ Annotated Anodyne C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(COC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1OCc1ccccc1 ZINC000026401676 KJ Annotated Clean C[C@H]1O[C@@H](O[C@H]2C[C@](O)(COC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1OCc1ccccc1 ZINC000026401680 KJ Annotated Clean C[C@@H]1O[C@H](O[C@H]2C[C@](O)(COC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1OCc1ccccc1 ZINC000026401684 KJ Annotated Clean C[C@H]1O[C@H](O[C@H]2C[C@](O)(COC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1OCc1ccccc1 ZINC000026401688 KJ Annotated Clean O=C(NCCNS(=O)(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000026471083 KJ Annotated Anodyne O=Cc1cccc(-c2ccc(S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(Cl)cccc3Cl)s2)c1 ZINC000026472235 KJ Annotated Anodyne CC1=NC(C)=C(C(=O)OCC2CC2)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(C)Cc1ccccc1 ZINC000026477443 KJ Annotated Bother CC1=NC(C)=C(C(=O)OCC2CC2)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(C)Cc1ccccc1 ZINC000026477454 KJ Annotated Bother C[C@@]1(C(=O)N[C@H](CC(=O)O)c2ccc(-c3c(O)cccc3O)cc2)CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026478128 KJ Annotated Anodyne COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4Oc5ccccc5O[C@H]34)cc2)cc1OC ZINC000026481452 KJ Annotated Anodyne COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4Oc5ccccc5O[C@H]34)cc2)cc1OC ZINC000026481461 KJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(=O)Sc4ccncc4)c35)[nH]c2c(OC)c1OC ZINC000026483160 KJ Annotated Mild NCCCN1C(=O)[C@@H](CN)N=C(c2ccccc2)c2cc(N(Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000026485026 KJ Annotated Anodyne NCCCN1C(=O)[C@H](CN)N=C(c2ccccc2)c2cc(N(Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000026485034 KJ Annotated Anodyne CN(CCOc1ccc(/C=C(\CC(=O)N2C[C@H]3CCCC[C@H]3C2)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000026488073 KJ Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@H]3C(=O)c4ccccc4N[C@H]23)cc1)Cc1ccc2c(c1)OCO2 ZINC000026498650 KJ Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@@H]3C(=O)c4ccccc4N[C@H]23)cc1)Cc1ccc2c(c1)OCO2 ZINC000026498656 KJ Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCCCCCC(=O)O ZINC000261070967 KJ Annotated Anodyne COc1cc(OC)c2c(=O)c3cc([N+](=O)[O-])ccc3oc2c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000261072216 KJ Annotated Bother CC[C@@H]1COCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261073362 KJ Annotated Anodyne CC[C@H]1COCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261073365 KJ Annotated Anodyne COC(=O)CC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000261074647 KJ Annotated Mild CC[C@H](CS(C)(=O)=O)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261074670 KJ Annotated Anodyne CC[C@@H](CS(C)(=O)=O)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261074674 KJ Annotated Anodyne C=C1CCC[C@H]2O[C@@H](CC3=C[C@H]4C(C)=CC[C@H](C)C[C@@H](/C=C(\C)[C@H](O)[C@H]5C[C@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC6=NCC[C@H](C3)[C@@]64C)O5)OC(=O)C[C@H]3O[C@@H]([C@H](O)C1)[C@H](O)[C@@H]3O)C[C@H](O)[C@@H]2O ZINC000261075917 KJ Annotated Mild C=C1CCC[C@H]2O[C@@H](CC3=C[C@H]4C(C)=CC[C@H](C)C[C@@H](/C=C(\C)[C@H](O)[C@H]5C[C@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC6=NCC[C@H](C3)[C@@]64C)O5)OC(=O)C[C@H]3O[C@@H]([C@H](O)C1)[C@H](O)[C@@H]3O)C[C@@H](O)[C@@H]2O ZINC000261075920 KJ Annotated Mild C=C1CCC[C@H]2O[C@@H](CC3=C[C@H]4C(C)=CC[C@H](C)C[C@@H](/C=C(\C)[C@H](O)[C@H]5C[C@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC6=NCC[C@H](C3)[C@@]64C)O5)OC(=O)C[C@H]3O[C@@H]([C@H](O)C1)[C@H](O)[C@@H]3O)C[C@H](O)[C@H]2O ZINC000261075922 KJ Annotated Mild C=C1CCC[C@H]2O[C@@H](CC3=C[C@H]4C(C)=CC[C@H](C)C[C@@H](/C=C(\C)[C@H](O)[C@H]5C[C@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC6=NCC[C@H](C3)[C@@]64C)O5)OC(=O)C[C@H]3O[C@@H]([C@H](O)C1)[C@H](O)[C@@H]3O)C[C@@H](O)[C@H]2O ZINC000261075924 KJ Annotated Mild Cc1nc(N2CCCCC2)nc(Sc2nnc(Sc3nc(N4CCCCC4)nc(C)c3Br)n2N)c1Br ZINC000261075977 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cnccn4)c32)CC1 ZINC000261077760 KJ Annotated Anodyne Cc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](n4ccnn4)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261079801 KJ Annotated Anodyne CCN1C(=O)CN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@@H]2CCC[C@H]21 ZINC000261080503 KJ Annotated Anodyne CC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261081835 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261081837 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261081839 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261081841 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261081843 KJ Annotated Mild C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncnc4)c32)CC1 ZINC000261081854 KJ Annotated Anodyne COC[C@@H]1C[C@@H](OC)CN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261081910 KJ Annotated Anodyne CCOCc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](S(C)(=O)=O)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261083156 KJ Annotated Anodyne COCCOc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@@H](OC)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261085304 KJ Annotated Anodyne CCOCc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](NC(=O)OC)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261086015 KJ Annotated Anodyne C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCC(N(C)C[C@@H](C)O)CC5)nn4)nc32)CC1 ZINC000261086458 KJ Annotated Anodyne CO[C@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1CO[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000261088797 KJ Annotated Anodyne CO[C@@H]1CCN(C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)[C@@H]1CO[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000261088798 KJ Annotated Anodyne NC(=O)Cn1cc(-c2cc(OCCC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000261089395 KJ Annotated Anodyne CC(C)[C@H]1C[C@@H](O)CN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261091909 KJ Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)CN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261091913 KJ Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3CS(C)(=O)=O)c(F)c2o1 ZINC000261092689 KJ Annotated Anodyne CC(C)/C=C(/C#N)C(=O)N1CC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 ZINC000261093158 KJ Annotated Reactive CC(C)/C=C(/C#N)C(=O)N1CC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 ZINC000261093159 KJ Annotated Reactive Cc1cncc(-c2nc(-c3noc(=O)[nH]3)cc3nc(N4CCO[C@@H]5CCC[C@H]54)n(C[C@@H]4CC[C@@H](C)CC4)c23)c1 ZINC000261095389 KJ Annotated Anodyne Cc1cncc(-c2nc(-c3noc(=O)[nH]3)cc3nc(N4CCO[C@H]5CCC[C@@H]54)n(C[C@@H]4CC[C@@H](C)CC4)c23)c1 ZINC000261095391 KJ Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO)CC[C@H]3CO[C@@H]3CC[C@@H](C(=O)O)CC3)c(F)c2o1 ZINC000261096479 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)OC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261098280 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)OC[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261098281 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@H](C)OC[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261098282 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@H](C)OC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261098283 KJ Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](N)[C@H]1OCCC#N ZINC000261100599 KJ Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@H]3c3cn(C)nn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261101921 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@@H]3c3cn(C)nn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261101922 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261101960 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261101961 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261101962 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261101963 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)N(C)C)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261102708 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)COC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261103607 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@@H](C)COC[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261103608 KJ Annotated Anodyne COC(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCC4)cc3F)n2)C[C@H]1N ZINC000261109796 KJ Annotated Anodyne COC[C@@H](C)Nc1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261110831 KJ Annotated Anodyne COC[C@H](C)Nc1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261110832 KJ Annotated Anodyne Cc1cc2nc(O)c3cnn(CC4CCC4)c3c2cc1C(=O)N1C[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000261112058 KJ Annotated Anodyne C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC[C@H]7CCCN7C6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000261113676 KJ Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC[C@H]7CCCN7C6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000261113677 KJ Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N3CCN(C(=O)C4CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261117173 KJ Annotated Anodyne COCC(COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261117226 KJ Annotated Anodyne COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(Cl)cc1F ZINC000261117797 KJ Annotated Anodyne COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(Cl)cc1F ZINC000261117801 KJ Annotated Anodyne CCNC(=O)C1(Nc2nc(NCCc3ccccc3)nc(N3C[C@H]4C[C@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000261117819 KJ Annotated Anodyne COCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCC(F)(F)CC4)c23)C[C@@H]1C ZINC000261117867 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4COC[C@H]43)nc3cc(-c4noc(=O)[nH]4)cc(-c4cncc(Cl)c4)c32)CC1 ZINC000261121340 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4COC[C@H]43)nc3cc(-c4noc(=O)[nH]4)cc(-c4cncc(Cl)c4)c32)CC1 ZINC000261121342 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4COC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)cc(-c4cncc(Cl)c4)c32)CC1 ZINC000261121343 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4COC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)cc(-c4cncc(Cl)c4)c32)CC1 ZINC000261121344 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CC(=O)N(C)[C@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261121901 KJ Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2CC[C@@H](OCC3CCN(Cc4nc(C(F)(F)F)no4)CC3)CC2)c(F)c1 ZINC000261122005 KJ Annotated Anodyne C[C@@H]1CC[C@@H]([C@@H](C)n2c(N3CC(=O)N(C)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261124179 KJ Annotated Anodyne C[C@@H]1CC[C@@H]([C@H](C)n2c(N3CC(=O)N(C)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261124181 KJ Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)C[C@@H](N)[C@H]1S(C)(=O)=O ZINC000261126901 KJ Annotated Anodyne CCN(CCOC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261126915 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cccnn4)c32)CC1 ZINC000261126924 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)COC[C@H]3C)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261127474 KJ Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCOCC4)cc3F)n2)C[C@H]1N ZINC000261128622 KJ Annotated Anodyne CCOC(=O)C(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000261132126 KJ Annotated Mild C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)C[C@@H](N)[C@@H]1OCCS(C)(=O)=O ZINC000261132361 KJ Annotated Anodyne CCOCc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](OCCS(C)(=O)=O)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261133387 KJ Annotated Anodyne C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCC6(CC5)CCS(=O)(=O)C6)nn4)nc32)CC1 ZINC000261140927 KJ Annotated Anodyne CCNC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261143391 KJ Annotated Anodyne C[C@@H]1CC[C@@H]([C@@H](C)n2c(N3C[C@H](O)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261143885 KJ Annotated Anodyne C[C@@H]1CC[C@@H]([C@H](C)n2c(N3C[C@H](O)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261143889 KJ Annotated Anodyne CO[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000261144971 KJ Annotated Anodyne CO[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@H]2[C@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000261144974 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cc(Cl)cnc4O)c32)CC1 ZINC000261145098 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(O)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261145744 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(O)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261145750 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(O)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261145755 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(O)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261145760 KJ Annotated Anodyne COC[C@@H]1CC[C@@H](COC)N1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261145864 KJ Annotated Anodyne COC[C@@H](C)N(C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261146797 KJ Annotated Anodyne COC[C@H](C)N(C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261146798 KJ Annotated Anodyne CO[C@@H]1C[C@@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261147257 KJ Annotated Anodyne CO[C@@H]1C[C@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261147258 KJ Annotated Anodyne CCN(C)C(=O)[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261149370 KJ Annotated Anodyne CCN(C)C(=O)[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261149371 KJ Annotated Anodyne CC(=O)N1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@@H](C)[C@H]1C ZINC000261149419 KJ Annotated Anodyne CC(=O)N1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)[C@@H]1C ZINC000261149420 KJ Annotated Anodyne CC(=O)N1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@@H](C)[C@@H]1C ZINC000261149421 KJ Annotated Anodyne CC(=O)N1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)[C@H]1C ZINC000261149422 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCO[C@H](C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261149461 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCO[C@H](C)[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261149851 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCO[C@@H](C)[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261149855 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCO[C@@H](C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261149859 KJ Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1n1cc(C(C)(C)O)nn1 ZINC000261150001 KJ Annotated Anodyne Cc1nc(N2CCC(C)CC2)nc(Sc2nnc3n2Nc2c(C)nc(N4CCC(C)CC4)nc2S3)c1C ZINC000261150980 KJ Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1cc(C(=O)O)cc(C(=O)OC)c1 ZINC000261150994 KJ Annotated Anodyne O=C(/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(CCOCCO)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000261151647 KJ Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)C4(C)COC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261152292 KJ Annotated Anodyne COC[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261154203 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4nnn[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261156379 KJ Annotated Anodyne CO[C@@H]1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261156404 KJ Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@@H](C(N)=O)[C@H](C)O)cn4)CC3)CC2)cc1 ZINC000261157450 KJ Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@H](C(N)=O)[C@H](C)O)cn4)CC3)CC2)cc1 ZINC000261157451 KJ Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCC4)cc3F)n2)C[C@@H](N)[C@H]1n1ccnn1 ZINC000261157534 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@@H]3c3ncn(C)n3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261157556 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@H]3c3ncn(C)n3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261157561 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@@H]3c3ncnn3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261159974 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@H]3c3ncnn3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261159976 KJ Annotated Anodyne Cc1ccccc1/C=C1\CN2C[C@@]3(C1=O)[C@@H](c1ccccc1C)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000261160598 KJ Annotated Mild Cc1ccccc1/C=C1\CN2C[C@@]3(C1=O)[C@@H](c1ccccc1C)[C@@H]1CCCN1[C@@]31C(=O)c3ccccc3[C@]21O ZINC000261160599 KJ Annotated Mild COC(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)C[C@H]1N ZINC000261161553 KJ Annotated Anodyne COC(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1N ZINC000261161597 KJ Annotated Anodyne COc1cc(OC)c2c(=O)c3cc(Br)ccc3oc2c1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000261164789 KJ Annotated Bother COc1ccccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(F)cc1F ZINC000261167330 KJ Annotated Anodyne COc1ccccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(F)cc1F ZINC000261167331 KJ Annotated Anodyne COC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261168292 KJ Annotated Anodyne COc1ncccc1-n1nc2c(c1C)[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261170062 KJ Annotated Anodyne COc1ncccc1-n1nc2c(c1C)[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261170064 KJ Annotated Anodyne CC(=O)CCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000261170625 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@@H]4CCOC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261170703 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@H]4CCOC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261170706 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@@H]4CCOC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261170708 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@H]4CCOC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261171162 KJ Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCc1ccc(C(=O)O)cc1 ZINC000261172650 KJ Annotated Anodyne COc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@@H](OC)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261173040 KJ Annotated Anodyne O=C(Nc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H](C(=O)O)CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC000261174852 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4ccnnc4)c32)CC1 ZINC000261175770 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCOC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261175816 KJ Annotated Anodyne COC(=O)C[C@H]1[C@@]2(C)C[C@]34O[C@@]5(C)O[C@@]6([C@H](OC)[C@@]3(OC)[C@@H]2OC(C)=O)[C@@H]2/C(=C(/OC)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)[C@H](OC(=O)C(C)C)[C@@H](OC)[C@]6(O5)[C@]14C ZINC000261176223 KJ Annotated Anodyne in-vitro COC(=O)C[C@H]1[C@@]2(C)C[C@]34O[C@@]5(C)O[C@@]6([C@H](OC)[C@@]3(OC)[C@H]2OC(C)=O)[C@@H]2/C(=C(/OC)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)C(C)C)[C@@H](OC)[C@]6(O5)[C@]14C ZINC000261176229 KJ Annotated Anodyne in-vitro COC(=O)C[C@H]1[C@@]2(C)C[C@]34O[C@@]5(C)O[C@@]6([C@H](OC)[C@@]3(OC)[C@H]2OC(C)=O)[C@@H]2/C(=C(/OC)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)[C@H](OC(=O)C(C)C)[C@@H](OC)[C@]6(O5)[C@]14C ZINC000261176233 KJ Annotated Anodyne in-vitro C[C@@H]1CC[C@@H](Cn2c(N3CCCOC[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261176968 KJ Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCCOC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261176970 KJ Annotated Anodyne CN1[C@H]2C[C@@H](S(=O)(=O)c3ccccc3)[C@H]1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12 ZINC000261178377 KJ Annotated Anodyne CCCNC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000261178676 KJ Annotated Anodyne COc1cc(OC)c2c(=O)c3cc(Br)ccc3oc2c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000261178694 KJ Annotated Bother CC[C@@H](C)[C@@H](CC(=O)O)NC(=O)C(CC)(CC)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 ZINC000261179649 KJ Annotated Anodyne CC[C@H](C)[C@@H](CC(=O)O)NC(=O)C(CC)(CC)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 ZINC000261179652 KJ Annotated Anodyne CN(C1COC1)C(C)(C)/C=C(/C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 ZINC000261180721 KJ Annotated Reactive CC(=O)N1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@@H]2CCC[C@H]21 ZINC000261183399 KJ Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5CC[C@H](C4)N5)cn3)nc2n1[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000261183400 KJ Annotated Anodyne COCCOc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](n4ccnn4)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261184468 KJ Annotated Anodyne COCCOc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@H](C)[C@H](n4ccnn4)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261184469 KJ Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ncc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000261185061 KJ Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ncc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000261185062 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C\[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000261185406 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@H](N(C)C)[C@@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C\[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000261185407 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C\[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000261185408 KJ Annotated Anodyne O=C(NS(=O)(=O)c1ccccc1)[C@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000261187248 KJ Annotated Anodyne O=C(NS(=O)(=O)c1ccccc1)[C@@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1 ZINC000261187250 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3c3cnn[nH]3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261187287 KJ Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]3c3cnn[nH]3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261187289 KJ Annotated Anodyne C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)C[C@@H]5O[C@@H]5[C@@H]4O[C@H]3C[C@H]2O1 ZINC000261187558 KJ Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)C[C@@H]5O[C@@H]5[C@@H]4O[C@H]3C[C@@H]2O1 ZINC000261187559 KJ Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)C[C@@H]5O[C@@H]5[C@@H]4O[C@@H]3C[C@H]2O1 ZINC000261187560 KJ Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)C[C@@H]5O[C@@H]5[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000261187561 KJ Annotated Reactive CN(C1COC1)C(C)(C)/C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 ZINC000261188255 KJ Annotated Reactive CC(C)Oc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](OCCS(C)(=O)=O)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261188717 KJ Annotated Anodyne COc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](OCCC#N)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261190508 KJ Annotated Mild Cn1nnc([C@@H]2C[C@@]3(c4ccccc4)N[C@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000261190530 KJ Annotated Anodyne Cn1nnc([C@H]2C[C@@]3(c4ccccc4)N[C@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000261190531 KJ Annotated Anodyne O=C(N[C@@H]1CC[C@@H](O)CC1)c1ccc2nc(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)[nH]c2c1 ZINC000261192732 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000261192761 KJ Annotated Anodyne C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCC(CS(C)(=O)=O)CC5)nn4)nc32)CC1 ZINC000261192946 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](C)[C@H](O)/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(N=C(O)/C(C)=C\C=C/[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H]1C)C4=O ZINC000261494566 KJ Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=O)CC=C(C)C ZINC000261494612 KJ Annotated Mild C/C1=C/[C@H](C)C/C=C/[C@@H]2[C@@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H]([C@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1=O ZINC000261496785 KJ Annotated Mild in-man endogenous C/C1=C/[C@H](C)C/C=C/[C@@H]2[C@@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H]([C@@H](C)c4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1=O ZINC000261496786 KJ Annotated Mild in-man endogenous C/C1=C/[C@H](C)C/C=C/[C@@H]2[C@@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H]([C@H](C)c4c[nH]c5ccccc45)NC(=O)[C@]23C(=O)CCC(=O)C1=O ZINC000261496787 KJ Annotated Mild in-man endogenous C/C1=C/[C@H](C)C/C=C/[C@@H]2[C@@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H]([C@@H](C)c4c[nH]c5ccccc45)NC(=O)[C@]23C(=O)CCC(=O)C1=O ZINC000261496788 KJ Annotated Mild in-man endogenous CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000261500558 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000261500559 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000261500560 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000261500561 KJ Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000261516204 KJ Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000261516205 KJ Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000261516206 KJ Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000261516207 KJ Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1=O ZINC000261521494 KJ Annotated Mild CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1=O ZINC000261521495 KJ Annotated Mild CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1=O ZINC000261521496 KJ Annotated Mild CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1=O ZINC000261521497 KJ Annotated Mild CO[C@H]1c2nc3c(nc2C[C@@H]2CC[C@H]4C5=C[C@@H]6O[C@]7(O[C@](C)(CO)C[C@H]7O)[C@@H](C)[C@]6(O)[C@@]5(C)[C@H](O)C[C@@H]4[C@]21C)C[C@@]1(C)[C@@H](CC[C@H]2C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@]21O)OC(C)(C)C[C@H]6O)C3 ZINC000261527132 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)OC3=C(C2=O)[C@@H]2C(O)=C(N4CCOCC4)C(=C(O)[C@@H]2C(O)=C3C)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(=O)COC(=O)CC2=CN(C)C=CC2)[C@H]1C ZINC000261527155 KJ Annotated Mild CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C\NN2CCN(C3CCCC3)CC2)C(=C4O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000263590526 KJ Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(=O)C=C3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]3O[C@H](CCC(C)(C)O)[C@@H](C)[C@@H]34)[C@]2(C)C[C@H]1OC(C)=O ZINC000263590848 KJ Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H](C[C@H]1OC(C)=O)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 ZINC000263590849 KJ Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H]1OC(C)=O)C(=O)C=C1[C@@H]3C[C@@H]4O[C@H](CCC(C)(C)O)[C@@H](C)[C@@H]4[C@@]3(C)CC[C@@H]12 ZINC000263590850 KJ Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(=O)C=C3[C@@H]4C[C@@H]5O[C@H](CCC(C)(C)O)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1OC(C)=O ZINC000263590851 KJ Annotated Mild COc1ccc(CN2C[C@]3(C=C(C)Cn4c(=O)n(-c5ccccc5)c(=O)n43)N(C(=O)OCc3ccccc3)C2=NC(=O)c2ccccc2)c(OC)c1 ZINC000263590990 KJ Annotated Mild C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(cccc2N(C)S(=O)(=O)c2ccc(C)cc2)O1 ZINC000263591067 KJ Annotated Mild C=C1CCC[C@H]2O[C@@H](CC3=C[C@H]4/C(C)=C/C[C@H](C)C[C@@H](/C=C(\C)[C@H](O)[C@H]5C[C@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC6=NCC[C@H](C3)[C@@]64C)O5)OC(=O)C[C@H]3O[C@@H]([C@H](O)C1)[C@H](O)[C@@H]3O)C[C@H](O)[C@H]2O ZINC000263591106 KJ Annotated Mild C=C1CCC[C@H]2O[C@@H](CC3=C[C@H]4/C(C)=C/C[C@H](C)C[C@@H](/C=C(\C)[C@H](O)[C@H]5C[C@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC6=NCC[C@H](C3)[C@@]64C)O5)OC(=O)C[C@H]3O[C@@H]([C@H](O)C1)[C@H](O)[C@@H]3O)C[C@@H](O)[C@@H]2O ZINC000263591107 KJ Annotated Mild C=C1CCC[C@H]2O[C@@H](CC3=C[C@H]4/C(C)=C/C[C@H](C)C[C@@H](/C=C(\C)[C@H](O)[C@H]5C[C@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC6=NCC[C@H](C3)[C@@]64C)O5)OC(=O)C[C@H]3O[C@@H]([C@H](O)C1)[C@H](O)[C@@H]3O)C[C@@H](O)[C@H]2O ZINC000263591108 KJ Annotated Mild C=C1CCC[C@H]2O[C@@H](CC3=C[C@H]4/C(C)=C/C[C@H](C)C[C@@H](/C=C(\C)[C@H](O)[C@H]5C[C@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC6=NCC[C@H](C3)[C@@]64C)O5)OC(=O)C[C@H]3O[C@@H]([C@H](O)C1)[C@H](O)[C@@H]3O)C[C@H](O)[C@@H]2O ZINC000263591109 KJ Annotated Mild CNN/C(N=Cc1ccc([N+](=O)[O-])s1)=N\S(=O)(=O)c1cc(C)c(Cl)cc1SCc1ccccc1 ZINC000263591289 KJ Annotated Mild CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000263591350 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@H](N(C)C)[C@@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000263591351 KJ Annotated Anodyne CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@@H]4CC[C@@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000263591352 KJ Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](c3ccccc3)[C@H]3C[C@@H]3C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1 ZINC000263591602 KJ Annotated Mild CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](c3ccccc3)[C@@H]3C[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1 ZINC000263591603 KJ Annotated Mild CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1 ZINC000263591615 KJ Annotated Mild CC[C@H](C)N1CCC2(CC1)N=C1C(=C3NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000263591624 KJ Annotated Mild CC[C@@H](C)N1CCC2(CC1)N=C1C(=C3NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000263591625 KJ Annotated Mild C[C@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] ZINC000263591731 KJ Annotated Bother C[C@@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] ZINC000263591732 KJ Annotated Bother C=C[C@@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@@H]3c4ccc(OC)cc4N[C@@H]3[C@H]3C[C@H]1[C@H]2CO3 ZINC000263591868 KJ Annotated Mild C=C[C@@H]1CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@H]3c4ccc(OC)cc4N[C@@H]3[C@H]3C[C@H]1[C@H]2CO3 ZINC000263591869 KJ Annotated Mild CO[C@@H]1C(O)=C2C(=O)O[C@](C)(O)C=CC=CC=CC=C[C@H](c3ccccc3)NC(=O)C=CC=CC=CC=C[C@]2(C)[C@H]1O ZINC000263598419 KJ Annotated Anodyne CO[C@@H]1C(O)=C2C(=O)O[C@](C)(O)C=CC=CC=CC=C[C@H](c3ccccc3)NC(=O)C=CC=CC=CC=C[C@@]2(C)[C@H]1O ZINC000263598420 KJ Annotated Anodyne CO[C@@H]1C(O)=C2C(=O)O[C@](C)(O)C=CC=CC=CC=C[C@H](c3ccccc3)NC(=O)C=CC=CC=CC=C[C@@]2(C)[C@@H]1O ZINC000263598421 KJ Annotated Anodyne CO[C@@H]1C(O)=C2C(=O)O[C@](C)(O)C=CC=CC=CC=C[C@H](c3ccccc3)NC(=O)C=CC=CC=CC=C[C@]2(C)[C@@H]1O ZINC000263598422 KJ Annotated Anodyne CCOC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1C ZINC000263609551 KJ Annotated Mild CCOC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1C ZINC000263609552 KJ Annotated Mild CCOC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1C ZINC000263609553 KJ Annotated Mild CCOC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1C ZINC000263609554 KJ Annotated Mild CC[C@@H]1[C@H](Cc2[nH]c(/C=C3\N=C(C[C@H]4NC(=O)[C@@H](CC)[C@H]4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)[C@@H]1C ZINC000263614232 KJ Annotated Anodyne in-vitro CC[C@@H]1C(=O)N[C@H](CC2=N/C(=C\c3[nH]c(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)[C@@H]1C ZINC000263614233 KJ Annotated Anodyne in-vitro CC[C@@H]1C(=O)N[C@H](CC2=N/C(=C\c3[nH]c(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)[C@H]1C ZINC000263614234 KJ Annotated Anodyne in-vitro CC[C@@H]1C(=O)N[C@H](CC2=N/C(=C\c3[nH]c(C[C@@H]4NC(=O)[C@H](C)[C@@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)[C@H]1C ZINC000263614235 KJ Annotated Anodyne in-vitro CC(=O)Oc1c(OC(=O)C[C@H](C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)O)c(OC(=O)C[C@H](C)OC(C)=O)c1-c1ccc(O)cc1 ZINC000263614615 KJ Annotated Anodyne in-vitro CC(=O)Oc1c(OC(=O)C[C@H](C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)O)c(OC(=O)C[C@@H](C)OC(C)=O)c1-c1ccc(O)cc1 ZINC000263614616 KJ Annotated Anodyne in-vitro CC(=O)Oc1c(OC(=O)C[C@H](C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)O)c(OC(=O)C[C@@H](C)OC(C)=O)c1-c1ccc(O)cc1 ZINC000263614617 KJ Annotated Anodyne in-vitro CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)[C@H]2C(O)=C(N4CCOCC4)C(=C(O)[C@H]2C(O)=C3C)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)COC(=O)CC2=CN(C)C=CC2)[C@@H]1C ZINC000263620311 KJ Annotated Mild CN[C@@H](CCCNC(=N)N)c1nc(-c2nc(-c3nc(-c4nc(-c5ncc(C)o5)c(C)o4)cs3)c(C)o2)cs1 ZINC000263620359 KJ Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CS[C@H]2CCCN(C(=O)[C@@H](N)C(C)C)C2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000263620371 KJ Annotated Anodyne CO[C@@H]1[C@H](O)[C@@H](OC)[C@H](O[C@@H](C)[C@@H](O)/C=C/C=C/C=C/C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]2C/C=C/C=C/C=C/[C@H](O)C(=O)C(C)=C/C=C/C(C)=C/[C@@H](O)/C(C)=C/CC(=O)O2)O[C@@H]1C ZINC000263620446 KJ Annotated Mild CCOc1c(C)c(O)c2c(O)c3c(CNN4CCN(C)CC4)cc2c1[C@H](O)O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)/C=C/C[C@H](C)C(=O)N3 ZINC000263620464 KJ Annotated Anodyne CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1 ZINC000263620539 KJ Annotated Anodyne O=C(Cc1ccc(F)cc1)Nc1cc([C@H]2CN(C(=O)C[C@H](O)Cc3ccc(Cl)cc3)C[C@@H]2CO)ccc1Cl ZINC000263620710 KJ Annotated Anodyne COc1ccc([C@H]2OC[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)/C=C/C(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)O2)cc1 ZINC000263620800 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3[C@H]2O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000263620860 KJ Annotated Anodyne CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCN(C)C=O ZINC000263621234 KJ Annotated Anodyne C/C=C1/C(Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(CC)=C4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)=NC(=O)[C@H]1C ZINC000263621268 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@]1(C)O ZINC000263636188 KJ Annotated Anodyne CC(=O)OCC1=C[C@H](OC(C)=O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@H](O)C(OC(C)=O)=C(C)[C@H](OC(C)=O)C[C@@H]1OC(=O)/C=C\c1ccccc1)C2(C)C ZINC000263638525 KJ Annotated Anodyne CC(=O)OCC1=C[C@H](OC(C)=O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@H](O)C(OC(C)=O)=C(C)[C@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000263638526 KJ Annotated Anodyne CC(=O)OCC1=C[C@H](OC(C)=O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@H](O)C(OC(C)=O)=C(C)[C@H](OC(C)=O)C[C@H]1OC(=O)/C=C\c1ccccc1)C2(C)C ZINC000263638527 KJ Annotated Anodyne CC(=O)OCC1=C[C@H](OC(C)=O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@H](O)C(OC(C)=O)=C(C)[C@H](OC(C)=O)C[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000263638528 KJ Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(CCCCCc1ccccc1)C2 ZINC000026502006 KJ Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)N(CCCCCc1ccccc1)C2 ZINC000026502009 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)Oc2ccc3cccc(S(=O)(=O)O)c3c2)c(C)c1S(=O)(=O)Oc1ccc2cccc(S(=O)(=O)O)c2c1 ZINC000026503887 KJ Annotated Anodyne CN(C)CCc1c(C(=O)NCc2ccc(-c3ccccc3)cc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000026508138 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@@]2(CC[C@@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000026567119 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000026567122 KJ Annotated Anodyne N=C(c1cccnc1)N(N)S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000026567299 KJ Annotated Bother CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)N(C)[C@@](C)(c4ccccc4)C3=O)cc12 ZINC000026567314 KJ Annotated Anodyne CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)N(C)[C@](C)(c4ccccc4)C3=O)cc12 ZINC000026567318 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@@]2(CC[C@@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000026570094 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000026570098 KJ Annotated Anodyne CN(C)CCc1c(C(=O)NCc2ccccc2N)[nH]c2ccc(CCN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc12 ZINC000026570550 KJ Annotated Anodyne CO[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026572435 KJ Annotated Anodyne CO[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026572437 KJ Annotated Anodyne CO[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@H]2[C@@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026572440 KJ Annotated Anodyne CO[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@H]2OC(C)(C)O[C@H]2[C@@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026572443 KJ Annotated Anodyne COc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026575003 KJ Annotated Anodyne COc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026575005 KJ Annotated Anodyne O=C(O)COc1ccccc1Cn1nc(-c2cccs2)c(Cc2cc3c(cc2Cl)OCO3)c1C(=O)O ZINC000026575630 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000026575850 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000026575901 KJ Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2ncc(CCC(N)=O)s2)cc1 ZINC000026575968 KJ Annotated Anodyne COc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026576071 KJ Annotated Anodyne COc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000026576072 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026576076 KJ Annotated Anodyne O=C(O)CO[C@@H]1CCCC[C@@H]1Cn1nc(-c2ccccc2)c(Cc2cc3c(cc2Cl)OCO3)c1C(=O)O ZINC000026576560 KJ Annotated Anodyne O=C(O)CO[C@H]1CCCC[C@@H]1Cn1nc(-c2ccccc2)c(Cc2cc3c(cc2Cl)OCO3)c1C(=O)O ZINC000026576561 KJ Annotated Anodyne O=C(O)CO[C@@H]1CCCC[C@H]1Cn1nc(-c2ccccc2)c(Cc2cc3c(cc2Cl)OCO3)c1C(=O)O ZINC000026576562 KJ Annotated Anodyne O=C(O)CO[C@H]1CCCC[C@H]1Cn1nc(-c2ccccc2)c(Cc2cc3c(cc2Cl)OCO3)c1C(=O)O ZINC000026576563 KJ Annotated Anodyne Cc1cc2c(n1-c1ncnc3c1ncn3C[C@@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000026577056 KJ Annotated Anodyne Cc1cc2c(n1-c1ncnc3c1ncn3C[C@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000026577057 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026577162 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577369 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026577550 KJ Annotated Anodyne O[C@@H](CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026577563 KJ Annotated Anodyne O[C@H](CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026577564 KJ Annotated Anodyne c1ccc2c(c1)CCc1ccccc1C2N1CCN(CCCn2cnc3c(-n4cccc4)ncnc32)CC1 ZINC000026577679 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577735 KJ Annotated Clean CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577936 KJ Annotated Anodyne Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(N(CCCl)CCCl)ccc5o4)cn3C)cn2C)cc1C(=O)NCCC(=N)N ZINC000026579051 KJ Annotated Reactive O=C1O/C(=C\Cn2cnc3c(-n4cccc4)ncnc32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000026579983 KJ Annotated Anodyne COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1C[C@@H](F)C[C@H]1C=N3)N=C[C@@H]1C[C@H](F)CN1C2=O ZINC000026638826 KJ Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CCc3ccccn3)nc3cc(Cl)c(Cl)cc32)c([N+](=O)[O-])c1 ZINC000026649529 KJ Annotated Bother CCCCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1N(Cc1c[nH]cn1)Cc1c[nH]cn1 ZINC000026651522 KJ Annotated Anodyne COc1cc([C@H]2Oc3cc(-c4cc(=O)c5ccc(OC(C)=O)cc5o4)ccc3O[C@@H]2COC(C)=O)ccc1OC(C)=O ZINC000026651812 KJ Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(CCCN(Cc3c[nH]cn3)[C@@H]2c2ccccc2)C1 ZINC000026654978 KJ Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(CCCN(Cc3c[nH]cn3)[C@@H]2c2ccccc2)C1 ZINC000026654983 KJ Annotated Anodyne CCC(CC)CC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2[n+]1[O-] ZINC000026666050 KJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@H](c2ccc3c(c2)OCO3)N2N=C(c3ccccc3)CCC2=O)cc1 ZINC000026668203 KJ Annotated Mild CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@@H](c2ccc3c(c2)OCO3)N2N=C(c3ccccc3)CCC2=O)cc1 ZINC000026668207 KJ Annotated Mild CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC1=C(C)C2(OCCO2)C(=O)C2=C1N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000026669104 KJ Annotated Mild O=C(OCC#CCCCCC#CCS(=O)(=O)c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000026672610 KJ Annotated Mild CCOC(=O)Cn1c(OC)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(C)=O)nc4)c3Cl)cccc21 ZINC000026717924 KJ Annotated Anodyne COCCc1cc2nc1ccc1[nH]c(cc1CCOC)c1cc(CCO)c(ccc3[nH]c2cc3CCOC)n1 ZINC000026719025 KJ Annotated Bother COc1cc([C@@H]2c3cc4c(cc3C3=NN(c5ccccc5)C[C@H]3[C@@H]2COC(C)=O)OCO4)cc(OC)c1OC ZINC000026724128 KJ Annotated Anodyne COCOC1=C(C)C(=O)O[C@@H](CC/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@H](C)[C@@H](OC(N)=O)C(C)C)[C@H]1C ZINC000026725504 KJ Annotated Anodyne COCOC1=C(C)C(=O)O[C@@H](CC/C=C\[C@H](C)[C@H](O)[C@H](C)/C=C\CC[C@@H](O)[C@H](C)[C@@H](OC(N)=O)C(C)C)[C@H]1C ZINC000026725509 KJ Annotated Anodyne COCOC1=C(C)C(=O)O[C@@H](CC/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@H](C)[C@@H](OC(N)=O)C(C)C)[C@@H]1C ZINC000026726641 KJ Annotated Anodyne COCOC1=C(C)C(=O)O[C@@H](CC/C=C\[C@H](C)[C@H](O)[C@H](C)/C=C\CC[C@@H](O)[C@H](C)[C@@H](OC(N)=O)C(C)C)[C@@H]1C ZINC000026726646 KJ Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(C(Cl)=C(Cl)Cl)cc3)c(Cl)c2)c1N ZINC000026727775 KJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(=O)OCc4ccccc4)c35)[nH]c2c(OC)c1OC ZINC000026738095 KJ Annotated Mild CCOC(=O)C[C@H](NC(=O)CN(CCCOC)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ccc(OC)cc1 ZINC000026744934 KJ Annotated Anodyne CS(=O)(=O)N(c1ccc(CCN(CCOc2cccc3ccccc23)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000026745063 KJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(=O)c4ccccc4)c35)[nH]c2c(OC)c1OC ZINC000026747109 KJ Annotated Mild CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O ZINC000026748313 KJ Annotated Mild C/C=C/[C@H](CC(=O)O)NC(=O)CN(CCC(C)C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000026749090 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026752289 KJ Annotated Anodyne O=C(c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 ZINC000026815631 KJ Annotated Clean CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000026815999 KJ Annotated Anodyne O=C(O)CSc1c(F)c(F)c(C(=O)O)c(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c1F ZINC000026817682 KJ Annotated Bother in-vitro COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(=O)Nc4ccccc4)c35)[nH]c2c(OC)c1OC ZINC000026817954 KJ Annotated Mild COc1cc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)O)ccc1OCC(=O)O ZINC000026819104 KJ Annotated Anodyne COc1cc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)O)ccc1OCC(=O)O ZINC000026819108 KJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(C)(C)O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1 ZINC000026820643 KJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(C)(C)O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026820648 KJ Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)[C@H]1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@H]1CN2C(=O)c1ccc2ccccc2c1 ZINC000026820767 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CC(=O)O)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026821629 KJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@H](O)[C@@](C)(Cl)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026826629 KJ Annotated Anodyne CN1C(=O)[C@@H]2CN(Cc3cccs3)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)[C@@H]2C1=O ZINC000026826699 KJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2OC(C)(C)O[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026828576 KJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2OC(C)(C)O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026828580 KJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(C)(C)O[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026828585 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026830763 KJ Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832326 KJ Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832330 KJ Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832333 KJ Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832336 KJ Annotated Anodyne CC(C)Oc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N ZINC000026835090 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)C[C@@H]1CN(Cc2ccc(C#N)cc2)C=N1 ZINC000026837620 KJ Annotated Mild CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)C[C@@H]1CN(Cc2ccc(C#N)cc2)C=N1 ZINC000026837624 KJ Annotated Mild COc1cccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c1 ZINC000026838286 KJ Annotated Anodyne C[C@@H]1CNC(C)(C)CC(=O)N[C@@H]2CCc3ccccc3N(Cc3ccc(cc3)-c3ccccc3C(=O)NCCCC(=O)O1)C2=O ZINC000026838319 KJ Annotated Anodyne Nc1nc(Sc2ccc([N+](=O)[O-])cc2)c2ncn(CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c2n1 ZINC000026839744 KJ Annotated Bother CCOc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N ZINC000026840391 KJ Annotated Anodyne CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(N)=O)[C@@H]1c1ccccc1Cl ZINC000026840968 KJ Annotated Anodyne CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(N)=O)[C@H]1c1ccccc1Cl ZINC000026840973 KJ Annotated Anodyne CNC(=O)CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 ZINC000026842235 KJ Annotated Mild Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848185 KJ Annotated Anodyne CCO/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000026848746 KJ Annotated Mild Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848802 KJ Annotated Anodyne Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026849991 KJ Annotated Anodyne Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026850844 KJ Annotated Anodyne N=C(N)NCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026851462 KJ Annotated Clean Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ncc[nH]4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026851722 KJ Annotated Anodyne CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(=O)[nH]c3C)CC2)CC1 ZINC000026851740 KJ Annotated Mild COc1ccccc1Sc1nc(N)nc2c1ncn2CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000026852198 KJ Annotated Anodyne C/C(=N/N=C(N)N)c1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4[n+](C)c4cc(N)ccc34)cc2)cc1 ZINC000026938688 KJ Annotated Mild CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)CC1 ZINC000026940475 KJ Annotated Mild COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2ccc(N)cc12 ZINC000026941249 KJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCCCCCCOS(C)(=O)=O)cccc12 ZINC000026951419 KJ Annotated Mild COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N(C)CCCOCC(C)C)c2=O)c1 ZINC000026984432 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)N(C)CCCOCC(C)C)c2=O)c1 ZINC000026984441 KJ Annotated Anodyne Cc1cc(=O)sc2c3c(ccc12)OC[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026984951 KJ Annotated Anodyne Cc1cc(=O)sc2c3c(ccc12)OC[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000026984957 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)CSCc1ccncc1 ZINC000026989279 KJ Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)CSCc1ccncc1 ZINC000026989284 KJ Annotated Anodyne Cc1c(O)c(=O)ccn1CCOCCOCCOCCOCCOCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026991046 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)CSc1ccncc1 ZINC000026992458 KJ Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)CSc1ccncc1 ZINC000026992464 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccccc2)cn1 ZINC000026992598 KJ Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccccc2)cn1 ZINC000026992605 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000026994141 KJ Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000026994145 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000026996639 KJ Annotated Bother CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000026996646 KJ Annotated Bother CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000026998243 KJ Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000026998249 KJ Annotated Anodyne CC(C)c1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(O)/c(=N/CCO)c1 ZINC000027074202 KJ Annotated Anodyne in-vivo Cc1c(O)c(=O)ccn1CCOCCOCCOCCOCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000027074428 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000027075241 KJ Annotated Bother CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000027075248 KJ Annotated Bother C=C1[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OCC(C)C ZINC000027079111 KJ Annotated Mild O=C(C[C@H]1O[C@@H](c2ccccc2)O[C@@H](/C=C2\CCOC2=O)[C@@H]1C(=O)Oc1ccccc1)Oc1ccccc1 ZINC000027079267 KJ Annotated Anodyne CC(=O)C(=C[C@@H]1O[C@H](c2ccccc2)O[C@H](CC(=O)Oc2ccccc2)[C@H]1C(=O)Oc1ccccc1)C(C)=O ZINC000027080077 KJ Annotated Mild CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000027080693 KJ Annotated Bother COc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)nc1 ZINC000027082539 KJ Annotated Anodyne N[C@H](C(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1)[C@H]1c2ccccc2C[C@H]1O ZINC000027082603 KJ Annotated Anodyne N[C@@H](C(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1)[C@H]1c2ccccc2C[C@H]1O ZINC000027082613 KJ Annotated Anodyne O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1ccc(Cl)c(Cl)c1)C/C2=N\CCCNCCO ZINC000027082973 KJ Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1ccc(Cl)c(Cl)c1)C/C2=N\CCCNCCO ZINC000027082980 KJ Annotated Mild COc1cc([C@@H]2C/C(=N\CCCN3CCCC3)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc(OC)c1OC ZINC000027083935 KJ Annotated Mild COc1cc([C@H]2C/C(=N\CCCN3CCCC3)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc(OC)c1OC ZINC000027083942 KJ Annotated Mild C=C1[C@H](OCC(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000027084275 KJ Annotated Mild CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)C[S@@](=O)CC(=O)OCc1ccccc1 ZINC000027084813 KJ Annotated Anodyne CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)C[S@](=O)CC(=O)OCc1ccccc1 ZINC000027084820 KJ Annotated Anodyne O=c1c2c([nH]c3ccc(Cl)cc13)C[C@H](c1ccc(Cl)cc1Cl)C/C2=N\CCCN(CCO)CCO ZINC000027085231 KJ Annotated Mild O=c1c2c([nH]c3ccc(Cl)cc13)C[C@@H](c1ccc(Cl)cc1Cl)C/C2=N\CCCN(CCO)CCO ZINC000027085238 KJ Annotated Mild CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)N(OCc1ccccc1)C(C)=O ZINC000027085996 KJ Annotated Anodyne CCN(CC)CC/N=C1\C[C@@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027087777 KJ Annotated Mild CCN(CC)CC/N=C1\C[C@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027087783 KJ Annotated Mild CCc1cc(OCCc2ccc(C(=N)N)c(O)c2)cc(OS(=O)(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000027089809 KJ Annotated Anodyne CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C(Cl)Cl)[C@@H]2SC1 ZINC000027092292 KJ Annotated Anodyne N=C(NO)c1cccc(CN2C(=O)N(Cc3cccc(/C(N)=N\O)c3)[C@H](CCc3ccc(F)cc3)[C@@H](O)[C@H]2Cc2ccc(F)cc2)c1 ZINC000027093767 KJ Annotated Mild Nc1nccc2c1nnn2[C@@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027097113 KJ Annotated Anodyne Nc1nccc2c1nnn2[C@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027097121 KJ Annotated Anodyne Nc1nccc2c1nnn2[C@@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027097129 KJ Annotated Anodyne Nc1nccc2c1nnn2[C@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027097134 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](Cc3ccccc3)N(C)C)c2=O)c1F ZINC000027099021 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000027099615 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000027099620 KJ Annotated Anodyne in-vitro biogenic Nc1ccnc2c1nnn2[C@@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027100526 KJ Annotated Anodyne Nc1ccnc2c1nnn2[C@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027100531 KJ Annotated Anodyne Nc1ccnc2c1nnn2[C@@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027100537 KJ Annotated Anodyne Nc1ccnc2c1nnn2[C@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027100542 KJ Annotated Anodyne CC(=O)N1[C@H](C(=O)NCCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027104605 KJ Annotated Anodyne CC(=O)N1[C@H](C(=O)N[C@@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027107362 KJ Annotated Anodyne Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)OCc2ccccn2)cc1 ZINC000027107494 KJ Annotated Anodyne CC(=O)N1[C@H](C(=O)N[C@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027108182 KJ Annotated Anodyne COc1cc2c(cc1OCc1ccccc1)N=C[C@@H]1C/C(=C\C(=O)NCCN3C(=O)c4cccc5cccc(c45)C3=O)CN1C2=O ZINC000027109110 KJ Annotated Anodyne OCC[C@H]1CCCCN1C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN4CCCC[C@@H]4CCO)sc3cc2s1 ZINC000027109730 KJ Annotated Mild C=CCO[C@@H]1[C@H](OC(=O)CCC)[C@H](Oc2ccc(Br)cc2)O[C@@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]1O ZINC000027109994 KJ Annotated Mild CC(=O)N1[C@@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccc(C)cc2C(=O)C[C@@H]1C(=O)NCC(=O)O ZINC000027180207 KJ Annotated Anodyne CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2cc(C)ccc2N(Cc2ccccc2)C(=O)[C@@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027180213 KJ Annotated Anodyne CC(=O)N1[C@@H](C(=O)NCC(=O)O)CC(=O)c2cc(C)ccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027180218 KJ Annotated Anodyne CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2cc(C)ccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027180224 KJ Annotated Anodyne CCOC(=O)c1c2nc(/N=C(\O)CN(CC)CC)sc2cc2sc(/N=C(\O)CN(CC)CC)nc12 ZINC000027180421 KJ Annotated Mild COc1cc(NC(=O)N[C@@H](CN2[C@H]3CC[C@@H]2CC(Cc2ccc(Cl)cc2)C3)[C@H](C)O)cc(OC)c1OC ZINC000027180458 KJ Annotated Anodyne COc1c(O)c(N[C@@H](C)CCCN)c2ncccc2c1-c1c(OC)c(O)c(N[C@@H](C)CCCN)c2ncccc12 ZINC000027182190 KJ Annotated Anodyne COc1c(O)c(N[C@@H](C)CCCN)c2ncccc2c1-c1c(OC)c(O)c(N[C@H](C)CCCN)c2ncccc12 ZINC000027182195 KJ Annotated Anodyne COc1c(O)c(N[C@H](C)CCCN)c2ncccc2c1-c1c(OC)c(O)c(N[C@H](C)CCCN)c2ncccc12 ZINC000027182205 KJ Annotated Anodyne C[C@@H]1CC[C@@H](NCC(=O)Nc2nc3cc4nc(/N=C(\O)CN[C@@H]5CC[C@@H](C)C5)sc4cc3s2)C1 ZINC000027183247 KJ Annotated Mild C[C@@H]1CC[C@H](NC/C(O)=N/c2nc3cc4nc(NC(=O)CN[C@@H]5CC[C@@H](C)C5)sc4cc3s2)C1 ZINC000027183262 KJ Annotated Mild C[C@H]1CC[C@H](NC/C(O)=N/c2nc3cc4nc(NC(=O)CN[C@@H]5CC[C@@H](C)C5)sc4cc3s2)C1 ZINC000027183270 KJ Annotated Mild N#Cc1ccc(COC[C@@H](OCc2ccc(C#N)cc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 ZINC000027186213 KJ Annotated Mild N#Cc1ccc(COC[C@@H](OCc2ccc(C#N)cc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 ZINC000027186221 KJ Annotated Mild N#Cc1ccc(COC[C@@H](OCc2ccc(C#N)cc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 ZINC000027186229 KJ Annotated Mild C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O ZINC000027191019 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O ZINC000027191025 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O ZINC000027191030 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)O ZINC000027191037 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000027201284 KJ Annotated Reactive CC[C@]12CCCN3C[C@@H](Br)[C@]4(C(=Nc5ccc(Br)cc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000027204459 KJ Annotated Reactive COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000027205092 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000027205106 KJ Annotated Anodyne in-vitro COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C3(CC3)CNC2=O)cc1Cl ZINC000027211787 KJ Annotated Reactive N#Cc1cc2c(cc1N1CCN(c3cccc(C(F)(F)F)c3)CC1)n(O)c1ccc(Cl)cc1[n+]2=O ZINC000027299054 KJ Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ncccc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000027300157 KJ Annotated Anodyne O=C(NC[C@@H](C(=O)O)S(=O)(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl)C1=NOC2(CCC(CNc3ncc[nH]3)CC2)C1 ZINC000027304461 KJ Annotated Anodyne C[C@H]1N(C(=O)c2ccc(OCC(F)(F)C(F)F)cc2)CC(=O)O[C@@]1(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000027307266 KJ Annotated Anodyne C=C1[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000027307623 KJ Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027308213 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027308219 KJ Annotated Anodyne C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@]123)C4(C)C ZINC000027310618 KJ Annotated Mild C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@]123)C4(C)C ZINC000027310623 KJ Annotated Mild C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@]123)C4(C)C ZINC000027310628 KJ Annotated Mild C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@]123)C4(C)C ZINC000027310632 KJ Annotated Mild O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)Nc2nncn2-c2ccc(F)cc2)c(S)cc1Cl ZINC000027312826 KJ Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000027316403 KJ Annotated Mild O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2nncn2-c2ccc(Cl)cc2)c(S)cc1Cl ZINC000027318220 KJ Annotated Anodyne Cc1oc(=O)oc1COC(=O)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)OCc4oc(=O)oc4C)cc3)o2)cc1 ZINC000027318459 KJ Annotated Anodyne CC(=O)O[C@H](C)OC(=O)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)O[C@@H](C)OC(C)=O)cc3)o2)cc1 ZINC000027323226 KJ Annotated Anodyne COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)cccc2n1C ZINC000027327510 KJ Annotated Anodyne CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(=O)N(O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(C)C)C(=O)O ZINC000027408910 KJ Annotated Anodyne CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(=O)N(O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(C)C)C(=O)O ZINC000027408915 KJ Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCN(C(=O)CCCC[C@@H]3CCSS3)CC1)O2 ZINC000027425742 KJ Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCN(C(=O)CCCC[C@@H]3CCSS3)CC1)O2 ZINC000027425747 KJ Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCN(C(=O)CCCC[C@H]3CCSS3)CC1)O2 ZINC000027425752 KJ Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCN(C(=O)CCCC[C@H]3CCSS3)CC1)O2 ZINC000027425758 KJ Annotated Reactive CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(C[C@@H]3SC(N)=NC3=O)cc1)CC2 ZINC000027430302 KJ Annotated Anodyne CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(C[C@@H]3SC(N)=NC3=O)cc1)CC2 ZINC000027430307 KJ Annotated Anodyne CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(C[C@H]3SC(N)=NC3=O)cc1)CC2 ZINC000027430311 KJ Annotated Anodyne CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(C[C@H]3SC(N)=NC3=O)cc1)CC2 ZINC000027430315 KJ Annotated Anodyne COCCOCCOCCOCCOCCSc1cccc(CSc2nc3cc(N)ccc3[nH]2)c1C ZINC000027436526 KJ Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(OC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027441995 KJ Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(OC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027442002 KJ Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(CNc3ccccn3)cs2)c2ccccc21 ZINC000027442335 KJ Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(CNc3ccccn3)cs2)c2ccccc21 ZINC000027442342 KJ Annotated Anodyne O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)O)C(=NNc1ccccc1)C2=O)Nc1ccc2c(c1)C=C(S(=O)(=O)O)C(=NNc1ccc(C(=O)O)cc1)C2=O ZINC000271775417 KJ Annotated Mild CCO/N=C(/c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000027517433 KJ Annotated Mild CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)CC1 ZINC000027517509 KJ Annotated Mild CCCOc1ccc(-c2ccc(NC(=O)N3CCC[C@H]3C(=O)N3CC[C@H]4[C@H]3[C@H](C)C(=O)N4C(=O)C3CC3)cc2)cc1 ZINC000027517559 KJ Annotated Anodyne CN(C[C@H](c1cccc2c1OCO2)N1CCC(N2CCCCC2)CC1)C(=O)Cc1ccccc1Br ZINC000027517591 KJ Annotated Anodyne CN(C[C@@H](c1cccc2c1OCO2)N1CCC(N2CCCCC2)CC1)C(=O)Cc1ccccc1Br ZINC000027517592 KJ Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)nc2)c2ccccc21 ZINC000027517891 KJ Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)nc2)c2ccccc21 ZINC000027517892 KJ Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(-c3nc4ncccc4[nH]3)cs2)c2ccccc21 ZINC000027518005 KJ Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(-c3nc4ncccc4[nH]3)cs2)c2ccccc21 ZINC000027518006 KJ Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2nc(-c3nc4ccccc4[nH]3)cs2)c2ccccc21 ZINC000027518294 KJ Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2nc(-c3nc4ccccc4[nH]3)cs2)c2ccccc21 ZINC000027518295 KJ Annotated Anodyne O[C@@H](CSc1ncnc2c1ncn2-c1ccccc1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027518587 KJ Annotated Anodyne O[C@H](CSc1ncnc2c1ncn2-c1ccccc1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027518588 KJ Annotated Anodyne CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)c[n+]([O-])cc3C)CC2)CC1 ZINC000027518679 KJ Annotated Mild CCCCCC[C@H](C(=O)N1C[C@@H](Oc2ccc(CC3N=NN=N3)cc2)C[C@H]1C(=O)O)n1cnc(NC(=O)c2ccccc2S(=O)(=O)O)c1 ZINC000027518913 KJ Annotated Anodyne CCCCCC[C@H](C(=O)N1C[C@@H](Oc2cccc3cnccc23)C[C@H]1C(=O)O)n1cnc(NC(=O)c2ccccc2S(=O)(=O)O)c1 ZINC000027518919 KJ Annotated Anodyne CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(N)nc3C)CC2)CC1 ZINC000027519509 KJ Annotated Mild CCO/N=C(/c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000027519567 KJ Annotated Mild CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000027519869 KJ Annotated Mild CCCCCC[C@H](C(=O)N1C[C@@H](Oc2ccc3occc3c2)C[C@H]1C(=O)O)n1cnc(NC(=O)c2ccccc2S(=O)(=O)O)c1 ZINC000027520405 KJ Annotated Anodyne CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(=O)[nH]c3C)CC2)CC1 ZINC000027520445 KJ Annotated Mild O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521043 KJ Annotated Anodyne O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521045 KJ Annotated Anodyne O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521047 KJ Annotated Anodyne O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521048 KJ Annotated Anodyne CNC(=O)CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 ZINC000027522005 KJ Annotated Mild CO/N=C(/c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000027523068 KJ Annotated Mild S=C(NCCCc1cnc[nH]1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000027523215 KJ Annotated Anodyne CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N1CCOCC1)cc2C(F)(F)F ZINC000027523720 KJ Annotated Mild CCN(CC)CCN1C(=O)[C@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N1CCOCC1)cc2C(F)(F)F ZINC000027523721 KJ Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]3C[C@]2(OC3(C)C)[C@@]1(C)O ZINC000027525067 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]3C[C@@]2(OC3(C)C)[C@@]1(C)O ZINC000027525069 KJ Annotated Anodyne CCOC(=O)Nc1cc(CO)cc(Nc2c3cccc(C)c3nc3c(C(=O)NCCN(C)C)cccc23)c1 ZINC000027525077 KJ Annotated Clean COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)c1ccccc1)C(C)(C)O2 ZINC000027525106 KJ Annotated Bother CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(N)=O)sc3ccccc23)CC1 ZINC000027527115 KJ Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(NCCc4ccc(F)cc4)nc3c2)n1 ZINC000027547971 KJ Annotated Anodyne NC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)c(Br)c4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027549812 KJ Annotated Anodyne NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)c(Br)c4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027552743 KJ Annotated Anodyne COc1ccc(S(=O)(=O)/N=C(\O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2F)cc1 ZINC000027552815 KJ Annotated Mild CC(C)[C@H](N)C(=O)C[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCc2ccc(cc2)OCCOCCCOCCNC(=O)[C@H](C(C)C)CC1=O ZINC000027553298 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1cnc2ccccc2c1 ZINC000027555402 KJ Annotated Anodyne CC(C)[C@H](N)C(=O)C[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCc2ccc(cc2)OCCOCCOCCCOCCNC(=O)[C@H](C(C)C)CC1=O ZINC000027555509 KJ Annotated Anodyne COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C3(OC)CCN(C(=O)OC(C)(C)C)CC3)oc12 ZINC000027556969 KJ Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)n(CCCCCCBr)c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1 ZINC000027559154 KJ Annotated Reactive COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)n(CCCCCCBr)c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1 ZINC000027559157 KJ Annotated Reactive CCOC(=O)c1c(CSc2nccn2C)nc2cc3c(cc2c1-c1ccc(OC)c(OC)c1)OCCO3 ZINC000027559556 KJ Annotated Anodyne CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc2c(c1)OCO2 ZINC000027559570 KJ Annotated Anodyne CCOC(=O)c1c(CCc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027559765 KJ Annotated Anodyne CCOC(=O)c1c(CSc2nncn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027564232 KJ Annotated Anodyne CCOC1CCN(C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027622364 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027627008 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027627011 KJ Annotated Anodyne CC(=O)OCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCOC(C)=O)cc3)cc2)cc1 ZINC000027628547 KJ Annotated Mild C[C@@H](OC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027634477 KJ Annotated Reactive O=C(CCC(=O)OCc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027635699 KJ Annotated Reactive CCO/C(O)=C1\C(COCCNc2cc(NC)ncn2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027639674 KJ Annotated Anodyne CCO/C(O)=C1\C(COCCNc2cc(NC)ncn2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027639680 KJ Annotated Anodyne CCO/C(O)=C1\C(COCCNc2nccnc2NC)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027644248 KJ Annotated Anodyne CCO/C(O)=C1\C(COCCNc2nccnc2NC)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027644251 KJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](CCCC(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000027649601 KJ Annotated Mild CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000027653400 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000027653403 KJ Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6cc(NC(N)=O)ccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000027653618 KJ Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6cc(NC(N)=O)ccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000027653621 KJ Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027655626 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027656044 KJ Annotated Anodyne Cc1nc2c(cc3c4c(cccc42)C(=O)N(CCCN(C)CCCN2C(=O)c4cccc5c4c(cc4nc(C)[nH]c45)C2=O)C3=O)[nH]1 ZINC000027656455 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027656761 KJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027656763 KJ Annotated Anodyne Cc1nc2cc3c4c(cccc4c2[nH]1)C(=O)N(CCN(C)CCCN(C)CCN1C(=O)c2cccc4c2c(cc2nc(C)[nH]c24)C1=O)C3=O ZINC000027656915 KJ Annotated Anodyne COC(=O)c1c(Br)c(OC)cc(O)c1CSC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)OC ZINC000027709284 KJ Annotated Bother COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2cc(N(C)S(C)(=O)=O)ccc23)cc1 ZINC000027709719 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](CCCCCCN1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c(OC)ccc(c34)C1)=C2 ZINC000027713619 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCC[N+]1=Cc3ccc(OC)c4c3[C@@]3(C=C[C@H](O)C[C@H]3O4)CC1)C2 ZINC000027713624 KJ Annotated Anodyne CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(=O)O)c(=O)n(Cc3ccccc3OC)c12)S(C)(=O)=O ZINC000027717925 KJ Annotated Anodyne COc1ccc(C#Cc2ccc([S@@](C)=O)cc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027722391 KJ Annotated Mild COc1ccc(C#Cc2ccc([S@](C)=O)cc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027722398 KJ Annotated Mild COc1ccc(C#Cc2ccc([S@@](C)=O)cc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027722404 KJ Annotated Mild COc1ccc(C#Cc2ccc([S@](C)=O)cc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027722411 KJ Annotated Mild CC(C)[C@H](NC(=O)CN(C(=O)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C1CCCC1)C(=O)C(F)(F)F ZINC000027726931 KJ Annotated Mild CC(C)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C1CCCC1 ZINC000027726938 KJ Annotated Mild CC(C)[C@@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C1CCCC1 ZINC000027726945 KJ Annotated Mild Cc1ccc(C)c(C(=O)N[C@H](C)C(=O)N2CCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)c1 ZINC000027733153 KJ Annotated Anodyne C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCCC4)n3)c(F)c2)CC1 ZINC000027733817 KJ Annotated Anodyne Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)c1 ZINC000027734761 KJ Annotated Anodyne O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2CO)cc1 ZINC000027736036 KJ Annotated Anodyne O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cncc(CO)c2)cc1 ZINC000027736715 KJ Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(OCCCN3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000027736777 KJ Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(OCCCN3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000027736784 KJ Annotated Anodyne CC(C)CCC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027737123 KJ Annotated Anodyne C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027744044 KJ Annotated Anodyne COC(=O)c1cccc(CN(CCNCCCO)Cc2cccc(CN(Cc3cccc(C(=O)OC)c3)Cc3cccc(C(=O)OC)c3)n2)c1 ZINC000027747412 KJ Annotated Anodyne O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2CO)cc1 ZINC000027747596 KJ Annotated Anodyne CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)c[n+]([O-])cc3C)CC2)CC1 ZINC000027749728 KJ Annotated Mild O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CO)cc1 ZINC000027753114 KJ Annotated Anodyne C[C@@H]1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C(=O)O6)c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C ZINC000027762927 KJ Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CO)C(=O)O)c2)cc1 ZINC000027844033 KJ Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CO)C(=O)O)c2)cc1 ZINC000027844043 KJ Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CO)C(=O)O)c2)cc1 ZINC000027844050 KJ Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CO)C(=O)O)c2)cc1 ZINC000027844058 KJ Annotated Reactive O=S(=O)(Nc1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1 ZINC000027847907 KJ Annotated Anodyne O=S(=O)(Nc1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1 ZINC000027847914 KJ Annotated Anodyne Cc1c(CO)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027853295 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCN3C2=O)cc1Cl ZINC000027853442 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](C)NC2=O)cc1Cl ZINC000027858509 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccnc(Cl)c1)c1ccc(Cl)cc1 ZINC000027860651 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(c(CO)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027864625 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(c(CO)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027864630 KJ Annotated Anodyne COc1ccccc1CN(C[C@@H](Cc1csc2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027864760 KJ Annotated Anodyne COc1ccccc1CN(C[C@H](Cc1csc2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027864767 KJ Annotated Anodyne CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c(O)c(NC(C)=O)c(=O)oc4c3)nc(N)c12 ZINC000027893224 KJ Annotated Anodyne CCc1cc(NS(=O)(=O)c2ccc3c(N(C)C)cccc3c2)cc(CC)c1-n1c(=O)c2ccccc2n(C)c1=O ZINC000027981603 KJ Annotated Anodyne CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c([N+]5(C)CCNCC5)cc(=O)oc4c3)nc(N)c12 ZINC000027983932 KJ Annotated Bother O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000027985799 KJ Annotated Mild NC(=O)N1CCCc2c(C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)cccc21 ZINC000027988680 KJ Annotated Anodyne NC(=O)N1CCCc2c(C(=O)N3CCN([C@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)cccc21 ZINC000027988686 KJ Annotated Anodyne CN1CCC(OC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027990435 KJ Annotated Anodyne CN1CCC(OC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027990441 KJ Annotated Anodyne O=C([C@@H]1CCC[C@@H]2NCCC[C@@H]21)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027997583 KJ Annotated Anodyne O=C([C@@H]1CCC[C@@H]2NCCC[C@@H]21)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027997587 KJ Annotated Anodyne O=C([C@H]1CCC[C@@H]2NCCC[C@@H]21)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027997592 KJ Annotated Anodyne O=C([C@H]1CCC[C@@H]2NCCC[C@@H]21)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027997597 KJ Annotated Anodyne NC(=O)N1CCC[C@H]2[C@@H](C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@@H]21 ZINC000027997678 KJ Annotated Anodyne NC(=O)N1CCC[C@@H]2[C@@H](C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@@H]21 ZINC000027997683 KJ Annotated Anodyne NC(=O)N1CCC[C@H]2[C@@H](C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@H]21 ZINC000027997689 KJ Annotated Anodyne NC(=O)N1CCC[C@@H]2[C@@H](C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@H]21 ZINC000027997692 KJ Annotated Anodyne C=C1[C@@H](OC(=O)[C@H](O)[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000276934979 KJ Annotated Mild C=C(O[C@@H]1[C@@H](C)[C@@H]2[C@@H](C)CCCCCCC[C@]34O[C@]56[C@@H](O[C@@]53C(=C)C)[C@H]3[C@H]5O[C@@]5(CO)[C@@H](O)[C@]1(O)[C@H]2[C@@]31O[C@]64[C@@H]1C)c1ccccc1 ZINC000276935498 KJ Annotated Mild COCC[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CC1CCNCC1 ZINC000028002302 KJ Annotated Anodyne COCC[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CC1CCNCC1 ZINC000028002307 KJ Annotated Anodyne O=C(c1cccc2c1ccc[n+]2[O-])N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028004372 KJ Annotated Anodyne O=C(c1cccc2c1ccc[n+]2[O-])N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028004377 KJ Annotated Anodyne CN1CCC[C@@H](OC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000028005772 KJ Annotated Anodyne CN1CCC[C@H](OC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000028005776 KJ Annotated Anodyne Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc(I)c1O ZINC000028006315 KJ Annotated Anodyne O=C(O)C(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)O)c2c1 ZINC000028018585 KJ Annotated Anodyne CCCc1cc2c(cc1OCc1ccsc1S(=O)(=O)Nc1onc(C)c1Br)OCO2 ZINC000028019555 KJ Annotated Anodyne NC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)O)c2c1 ZINC000028020675 KJ Annotated Anodyne CN1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021901 KJ Annotated Anodyne CN1CCN(c2ccccc2Sc2ccc([C@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021907 KJ Annotated Anodyne CN1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021912 KJ Annotated Anodyne CN1CCN(c2ccccc2Sc2ccc([C@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021917 KJ Annotated Anodyne COc1cc(Cc2ccc(N)cc2N)cc(OC)c1OCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000028089858 KJ Annotated Anodyne CCOc1ccc(C2=N[C@@H]3[C@@]4(OC)C=C[C@@]5(C[C@@]24C)[C@@H]2Cc4ccc(OC)c(O)c4[C@]35CCN2C)cc1 ZINC000028090467 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2)[C@H]1C(=O)c1ccc(O)cc1O ZINC000028094502 KJ Annotated Anodyne COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CCCCCC(=O)Oc1ccccc1 ZINC000028095836 KJ Annotated Anodyne CC#CCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028098874 KJ Annotated Mild CN1c2ccc(CNCCCCCCCNCC3=N[C@H]4[C@@H](C=C3)N(C)c3ncccc3N4C)nc2N(C)c2cccnc21 ZINC000028101197 KJ Annotated Clean CN1c2ccc(CNCCCCCCCNCC3=N[C@H]4[C@H](C=C3)N(C)c3ncccc3N4C)nc2N(C)c2cccnc21 ZINC000028101200 KJ Annotated Clean CCCS(=O)(=O)NCCCOc1nc(C2CC2)nc(NS(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC ZINC000028101363 KJ Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OCc4ccc(OC)cc4)cc1)C3=CC2=O ZINC000028102497 KJ Annotated Mild COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc3ccccc13)N(C)[C@@H]2c1cccc2ccccc12 ZINC000028106653 KJ Annotated Anodyne CCN(CC)c1cc(/C=C/C(=O)N2C[C@@H](CBr)[C@@H]3C2=C[C@@H](OC(=O)N2CCN(C)CC2)c2[nH]c(C)c(C(=O)OC)c23)ccc1OC ZINC000028107459 KJ Annotated Reactive CCN(CC)c1cc(/C=C/C(=O)N2C[C@@H](CBr)[C@H]3C2=C[C@@H](OC(=O)N2CCN(C)CC2)c2[nH]c(C)c(C(=O)OC)c23)ccc1OC ZINC000028107466 KJ Annotated Reactive CCN(CC)c1cc(/C=C/C(=O)N2C[C@@H](CBr)[C@@H]3C2=C[C@H](OC(=O)N2CCN(C)CC2)c2[nH]c(C)c(C(=O)OC)c23)ccc1OC ZINC000028107472 KJ Annotated Reactive CCN(CC)c1cc(/C=C/C(=O)N2C[C@@H](CBr)[C@H]3C2=C[C@H](OC(=O)N2CCN(C)CC2)c2[nH]c(C)c(C(=O)OC)c23)ccc1OC ZINC000028107479 KJ Annotated Reactive Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)N(C)C(=O)NC2CCCCC2)nc1C(=O)O ZINC000028107897 KJ Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000028107980 KJ Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C[C@@H]1c1ccc(Sc2ccccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000028107988 KJ Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@@H]1C[C@@H]1c1ccc(Sc2ccccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000028107993 KJ Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccc3ccccc3c1)N(C)[C@@H]2c1ccc2ccccc2c1 ZINC000028108380 KJ Annotated Anodyne Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)N(C)C(=O)NC2CCCCC2)nc1C(=O)O ZINC000028110236 KJ Annotated Anodyne CC(C)N1CCN(c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C1=O ZINC000028111193 KJ Annotated Clean in-man CCN1C(=O)N(c2ccc(N3CCN(c4ccc(OC[C@@H]5OC[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C(=O)C(C)(C)C1=O ZINC000028111207 KJ Annotated Clean CC(C)N1CCN(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C1=O ZINC000028111435 KJ Annotated Clean CCN1C(=O)N(c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C(=O)C(C)(C)C1=O ZINC000028111719 KJ Annotated Clean CCN1C(=O)N(c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C(=O)C(C)(C)C1=O ZINC000028111819 KJ Annotated Clean c1cc(CN2CCC(C3=N[C@H]4CCCC[C@H]4N3)CC2)ccc1CN1CCC(C2=N[C@@H]3CCCC[C@@H]3N2)CC1 ZINC000028112163 KJ Annotated Anodyne c1cc(CN2CCC(C3=N[C@@H]4CCCC[C@H]4N3)CC2)ccc1CN1CCC(C2=N[C@@H]3CCCC[C@@H]3N2)CC1 ZINC000028112170 KJ Annotated Anodyne c1cc(CN2CCC(C3=N[C@H]4CCCC[C@H]4N3)CC2)ccc1CN1CCC(C2=N[C@H]3CCCC[C@@H]3N2)CC1 ZINC000028112178 KJ Annotated Anodyne c1cc(CN2CCC(C3=N[C@@H]4CCCC[C@H]4N3)CC2)ccc1CN1CCC(C2=N[C@H]3CCCC[C@@H]3N2)CC1 ZINC000028112186 KJ Annotated Anodyne CN1c2cccnc2N(C)c2nc(CNCCCCCCCNCC3=N[C@H]4[C@@H](C=C3)N(C)c3cccnc3N4C)ccc21 ZINC000028114683 KJ Annotated Clean CN1c2cccnc2N(C)c2nc(CNCCCCCCCNCC3=N[C@H]4[C@H](C=C3)N(C)c3cccnc3N4C)ccc21 ZINC000028114689 KJ Annotated Clean CCN1C(=O)N(c2ccc(N3CCN(c4ccc(OC[C@H]5OC[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C(=O)C(C)(C)C1=O ZINC000028115655 KJ Annotated Clean CC(=O)Cc1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028116628 KJ Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028119206 KJ Annotated Anodyne CN(C[C@](C)(CCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028119211 KJ Annotated Anodyne O=C(O)[C@H](c1ccc(Cl)nc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1cc2ccccc2[nH]1 ZINC000028120591 KJ Annotated Anodyne O=C(CN(/N=C/c1ccc(Cl)cc1Cl)C(=O)c1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000028121838 KJ Annotated Reactive CN(C[C@@H](CCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028133653 KJ Annotated Anodyne O=C(/C=C/c1ccc(Br)cc1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028137843 KJ Annotated Anodyne O=C(/C=C/c1ccc(Br)cc1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028137848 KJ Annotated Anodyne O[C@H](CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000028218431 KJ Annotated Reactive O[C@H](CNCCCCCCNCCSSCCNCCCCCCNC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000028218436 KJ Annotated Reactive O[C@@H](CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000028218441 KJ Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1cnn(-c2ccccc2)c1Cl ZINC000028226533 KJ Annotated Reactive COC(=O)[C@@H]1C(/C=N/c2ccccc2O)=Cc2cc3c(cc2[C@@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028227180 KJ Annotated Mild COC(=O)[C@@H]1C(/C=N/c2ccccc2O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028227183 KJ Annotated Mild O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)NNC(=O)Nc1ccc2ccccc2c1 ZINC000028230782 KJ Annotated Reactive COC(=O)[C@@H]1C(/C=N/c2nccs2)=Cc2cc3c(cc2[C@@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028230967 KJ Annotated Mild COC(=O)[C@@H]1C(/C=N/c2nccs2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028230971 KJ Annotated Mild Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCC3)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1 ZINC000028231522 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCCC3)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1 ZINC000028231717 KJ Annotated Anodyne O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1cccc(OC(F)(F)F)c1 ZINC000028232164 KJ Annotated Reactive CC(=O)Oc1ccccc1CN(CCN(CC(=O)OC(C)(C)C)Cc1ccccc1OC(C)=O)CC(=O)OC(C)(C)C ZINC000028236958 KJ Annotated Anodyne CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236996 KJ Annotated Anodyne C[C@H]1Cc2ccc(Cl)c(Cl)c2CN1S(=O)(=O)NS(=O)(=O)N1Cc2c(ccc(Cl)c2Cl)C[C@H]1C ZINC000028237042 KJ Annotated Anodyne C[C@H]1Cc2ccc(Cl)c(Cl)c2CN1S(=O)(=O)NS(=O)(=O)N1Cc2c(ccc(Cl)c2Cl)C[C@@H]1C ZINC000028237048 KJ Annotated Anodyne C[C@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C ZINC000028244214 KJ Annotated Anodyne C[C@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C ZINC000028244221 KJ Annotated Anodyne c1ccc(CNCCN(CCNC2C3CC4CC(C3)CC2C4)CCNC2C3CC4CC(C3)CC2C4)cc1 ZINC000028244746 KJ Annotated Anodyne CN1CCN(Cc2cc(Nc3cc(C(F)(F)F)nc(/N=C(\N)Nc4ccc(C(F)(F)F)cc4)n3)ccc2O)CC1 ZINC000028251782 KJ Annotated Mild CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000028254384 KJ Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(OC)cc3)n2)ccc1O ZINC000028254916 KJ Annotated Mild C=C([C@@H](O)C[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 ZINC000028255718 KJ Annotated Reactive C=C(CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@]2(C)O1 ZINC000028255857 KJ Annotated Mild Cn1cc([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)OCO3)c2ccc(C(N)=O)cc21 ZINC000028257267 KJ Annotated Mild Cn1cc([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)OCO3)c2ccc(C(N)=O)cc21 ZINC000028257273 KJ Annotated Mild C=C([C@H](O)C[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 ZINC000028257391 KJ Annotated Reactive CN1CCN(Cc2cc(Nc3cc(C(F)(F)F)nc(/N=C(\N)Nc4ccc(C(=O)c5ccccc5)cc4)n3)ccc2O)CC1 ZINC000028257426 KJ Annotated Mild O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028332515 KJ Annotated Reactive O=C(O)[C@H](c1ccc(Cl)nc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1c[nH]c2ccccc12 ZINC000028342481 KJ Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCCN(CCN2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028342561 KJ Annotated Anodyne O=C(CN(/N=C/c1ccc(Cl)cc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000028343952 KJ Annotated Reactive O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028348020 KJ Annotated Anodyne O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028348026 KJ Annotated Anodyne O=C(O)[C@@H]1C[C@@H](O)CN1c1cc(-c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)ccn1 ZINC000028353282 KJ Annotated Anodyne O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028358606 KJ Annotated Anodyne O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028358614 KJ Annotated Anodyne COc1cc2c(cc1OCCCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)N=C[C@@H]1CCCN1C2=O ZINC000028360665 KJ Annotated Clean COc1cc2c(cc1OCCCCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)N=C[C@@H]1CCCN1C2=O ZINC000028362834 KJ Annotated Clean CO[C@@H]1C[C@@H](C(=S)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028367070 KJ Annotated Anodyne CC(=O)c1cc(S(=O)(=O)NCCC(=O)N(CCCN(C)C)CCCN(C)C)ccc1NCC(c1ccccc1)c1ccccc1 ZINC000028368069 KJ Annotated Anodyne O=C(Nc1ccc(Br)cc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2C(F)(F)F)cn1 ZINC000028370496 KJ Annotated Anodyne Cc1cc(C(=O)N2CCCCc3sccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 ZINC000028371532 KJ Annotated Anodyne O=[N+]([O-])c1ccc(N/C(S)=N/CCCNCc2cc(Br)cc(Br)c2)cc1 ZINC000028372586 KJ Annotated Mild CCC(=O)Oc1ccc2nc([C@@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)n(N3CCN(C)CC3)c(=O)c2c1 ZINC000028372634 KJ Annotated Anodyne CCC(=O)Oc1ccc2nc([C@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)n(N3CCN(C)CC3)c(=O)c2c1 ZINC000028372641 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028372787 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028372794 KJ Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)O3 ZINC000028374746 KJ Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)O3 ZINC000028374752 KJ Annotated Anodyne Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(Cl)cc5Cl)n4)C[C@@H]3C)ccc2s1 ZINC000028374846 KJ Annotated Anodyne Cc1cc(-c2c(OCC[C@H]3CCC(=O)N3)c3cc(C(=O)Nc4cnsn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000028374915 KJ Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028376079 KJ Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028376086 KJ Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028376358 KJ Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028376366 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2cccc(Cl)c2)C(C)(C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028377328 KJ Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@@H](O)CN2CCC(O)CC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028378334 KJ Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@H](O)CN2CCC(O)CC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028378340 KJ Annotated Anodyne COc1ccc2c(C(=O)N(CC(=O)O)C(=O)OCC(C)C)c(Br)ccc2c1C(F)(F)F ZINC000028378596 KJ Annotated Anodyne Cc1ccc(/C=N/NC(=O)c2nnc3c4c(-c5ccccc5)c(-c5ccccc5)nnc4nn3c2C)s1 ZINC000028378633 KJ Annotated Reactive Cc1ccccc1C(O)(CCN1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1C ZINC000028378900 KJ Annotated Anodyne O=C(Nc1cccc(Br)c1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2C(F)(F)F)cn1 ZINC000028382801 KJ Annotated Anodyne CN(CCCN1CCN(C)CC1)CC[C@@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028387475 KJ Annotated Anodyne CN(CCCN1CCN(C)CC1)CC[C@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028387480 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cc(F)c(F)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387724 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cc(F)c(F)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387729 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(Cl)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387733 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(Cl)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387739 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cc(Cl)ccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387745 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cc(Cl)ccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387751 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(C)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387764 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(C)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387770 KJ Annotated Anodyne COc1ccc(N(C(=O)Oc2ccc(Cl)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388034 KJ Annotated Anodyne COc1ccc(N(C(=O)Oc2ccc(Cl)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388041 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccccc2Cl)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388145 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccccc2Cl)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388150 KJ Annotated Anodyne Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(C(C)(C)C)cc5)n4)CC3)ccc2s1 ZINC000028388416 KJ Annotated Anodyne CN1CCN(CCC(=O)CSc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)CC1 ZINC000028389235 KJ Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@@H](O)CN2CCN(c3ncccn3)CC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028389343 KJ Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@H](O)CN2CCN(c3ncccn3)CC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028389348 KJ Annotated Anodyne CN(C)CCCN(C)C[C@@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028389424 KJ Annotated Anodyne CN(C)CCCN(C)C[C@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028389430 KJ Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@@H](O)CN2CCN(C)CC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028389527 KJ Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@H](O)CN2CCN(C)CC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028389532 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028390949 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028390956 KJ Annotated Anodyne Cc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(C)c1 ZINC000028391613 KJ Annotated Anodyne Cc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(C)c1 ZINC000028391620 KJ Annotated Anodyne Cc1cc(-c2c(OCC[C@@H]3COCCN3)c3cc(C(=O)Nc4cnsn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000028391994 KJ Annotated Anodyne Cc1cc(-c2c(OCC[C@H]3COCCN3)c3cc(C(=O)Nc4cnsn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000028392000 KJ Annotated Anodyne Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(Cl)cc5Cl)n4)CC3)ccc2s1 ZINC000028392783 KJ Annotated Anodyne Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(Cl)c(Cl)c5)n4)CC3)ccc2s1 ZINC000028394629 KJ Annotated Anodyne Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)C[C@@H]3C)ccc2s1 ZINC000028394866 KJ Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(=O)CC3)n21 ZINC000028395152 KJ Annotated Anodyne CC1CCN(CCC(=O)Nc2ccc3c(=O)c4cc(NC(=O)CCN5CCC(C)CC5)ccc4[nH]c3c2)CC1 ZINC000028396251 KJ Annotated Bother CCCCC/C=C/C(=O)N(O)CCCCCCNC(=O)C[C@@]1(O)CC(=O)N(CCCCCCN(O)C(=O)/C=C/CCCCC)C1=O ZINC000028455318 KJ Annotated Anodyne CCCCC/C=C/C(=O)N(O)CCCCCCNC(=O)C[C@]1(O)CC(=O)N(CCCCCCN(O)C(=O)/C=C/CCCCC)C1=O ZINC000028455321 KJ Annotated Anodyne C/C(=N\[C@@H](CC(C)C)C(=O)O)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1 ZINC000028456465 KJ Annotated Reactive CCOC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)N1C(=O)C(CC)(CC)[C@@H]1Sc1nc2ccccc2o1 ZINC000028456902 KJ Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccc(OC)cc1)N1C(=O)C(CC)(CC)[C@@H]1Sc1nc2ccccc2o1 ZINC000028456904 KJ Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)N1C(=O)C(CC)(CC)[C@H]1Sc1nc2ccccc2o1 ZINC000028456906 KJ Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccc(OC)cc1)N1C(=O)C(CC)(CC)[C@H]1Sc1nc2ccccc2o1 ZINC000028456908 KJ Annotated Anodyne CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 ZINC000028457497 KJ Annotated Anodyne C/C(=N\[C@@H](CC(C)C)C(=O)O)[C@H]1O[C@@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1 ZINC000028457894 KJ Annotated Reactive CN(C)CCn1[nH]c2c3ccccc3nc3c(C(=O)NCCN(C)CCNC(=O)c4ccc5c6c4nc4ccccc4c6[nH]n5CCN(C)C)ccc1c32 ZINC000028458102 KJ Annotated Bother CC(=O)NCCCS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000028459455 KJ Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)n21 ZINC000028459809 KJ Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(S(C)(=O)=O)cn21 ZINC000028460654 KJ Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(S(C)(=O)=O)cn21 ZINC000028460657 KJ Annotated Anodyne COc1ccc(C[C@@H]2[C@H](OC(=O)N3CCN(C)CC3)[C@@H](O)CN2C(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1 ZINC000028461292 KJ Annotated Anodyne NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(Cl)c1 ZINC000028461436 KJ Annotated Mild NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(Br)c1 ZINC000028461439 KJ Annotated Mild NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(I)c1 ZINC000028461441 KJ Annotated Mild C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)CCCO)n21 ZINC000028462380 KJ Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC[C@@H](O)C3)n21 ZINC000028463160 KJ Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC[C@H](O)C3)n21 ZINC000028463164 KJ Annotated Anodyne COCCN(CCOC)NC(=O)c1c(-c2ccc(OC)c(OC)c2)c2c3cc(OC)c(OC)cc3oc(=O)c2n1CCc1ccc(OC)c(OC)c1 ZINC000028463269 KJ Annotated Reactive C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)CCCN)n21 ZINC000028463621 KJ Annotated Anodyne CNCCCS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000028464339 KJ Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(O)CC3)n21 ZINC000028464723 KJ Annotated Anodyne CS(=O)(=O)N1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1 ZINC000028468105 KJ Annotated Anodyne C[C@H]1CCc2c(N3CCC(OC(=O)C(C)(C)C)CC3)c(F)cc3c(=O)c(C(=O)OCOC(=O)C(C)(C)C)cn1c23 ZINC000028470746 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)[C@H]3OC(C)=O ZINC000028471999 KJ Annotated Anodyne COc1cc(-c2c(OC)ccc3c2C(=O)O[C@@H]3[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc(OC)c1OC ZINC000028472938 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccccc2Br)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028473063 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccccc2Br)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028473066 KJ Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@@H](C(=O)CC4(C(=O)O)CC4)[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)C3)ccnc2c1 ZINC000028473069 KJ Annotated Anodyne COc1ccc2c(O[C@H]3C[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)[C@H](C(=O)CC4(C(=O)O)CC4)C3)ccnc2c1 ZINC000028473072 KJ Annotated Anodyne COc1ccc2nccc(O[C@@H]3C[C@@H](C(=O)CC4(C(=O)O)CC4)[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)C3)c2c1 ZINC000028473294 KJ Annotated Anodyne COc1ccc2nccc(O[C@H]3C[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)[C@H](C(=O)CC4(C(=O)O)CC4)C3)c2c1 ZINC000028473297 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028474250 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccc(Br)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028474253 KJ Annotated Anodyne Cn1cnc(S(=O)(=O)N(Cc2ccc3ccccc3c2Br)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028475257 KJ Annotated Mild Cn1cnc(S(=O)(=O)N(Cc2ccc3ccccc3c2Br)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028475260 KJ Annotated Mild CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cccc(Br)c2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475397 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cccc(Br)c2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475400 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccnc3ccccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475403 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccnc3ccccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475406 KJ Annotated Anodyne COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](N)c3ccccc3)c2=O)c1F ZINC000028475769 KJ Annotated Anodyne COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F ZINC000028476363 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cccc3cccnc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477198 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cccc3cccnc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477201 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2nccc3ccccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477369 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2nccc3ccccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477372 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cncc3ccccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477375 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cncc3ccccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477378 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477384 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccc(Cl)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477387 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc5ccccc5c4)C[C@@](O)([C@@H](OCc4ccccc4)[C@@H]12)C3(C)C ZINC000028478062 KJ Annotated Anodyne C=CCCCC[C@@H](NC(=O)c1cccc(O)c1OCCC=C)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000028478311 KJ Annotated Mild C=CCCCC[C@@H](NC(=O)c1cccc(O)c1OCCC=C)[C@@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000028478313 KJ Annotated Mild CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)CCc4ccc5ccccc5c4)C[C@@](O)([C@@H](OCc4ccccc4)[C@@H]12)C3(C)C ZINC000028520812 KJ Annotated Anodyne CCN(CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4)Cc1ccccc1 ZINC000028520868 KJ Annotated Bother CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccc(I)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028521161 KJ Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccc(I)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028521163 KJ Annotated Anodyne CCCCN1C(=O)C(c2ccc(I)cc2)(c2ccc(I)cc2)NC1=S ZINC000028521166 KJ Annotated Anodyne COc1ccc2c(c1-c1ccc(N(C)C)cc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000028521735 KJ Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3cccnc3c2)cc1 ZINC000028522816 KJ Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3cccnc3c2)cc1 ZINC000028522897 KJ Annotated Anodyne CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 ZINC000028523325 KJ Annotated Anodyne O=C(CO)N1CCN(c2cc(-c3ccncc3)c(-c3cccc4ccccc34)nn2)C[C@@H]1Cc1ccccc1 ZINC000028523461 KJ Annotated Anodyne COc1cc(C(=O)O[C@H](C(=O)NCCCCNC(=O)[C@@H](OC(=O)c2cc(OC)cc3c(C)cccc23)[C@]2(C)CO2)[C@]2(C)CO2)c2cccc(C)c2c1 ZINC000028524374 KJ Annotated Anodyne CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NC)c21 ZINC000028524706 KJ Annotated Bother COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)cc2Cl)cc1 ZINC000028525200 KJ Annotated Anodyne COc1cc(C(=O)O[C@H](C(=O)NCCCNC(=O)[C@@H](OC(=O)c2cc(OC)cc3c(C)cccc23)[C@]2(C)CO2)[C@]2(C)CO2)c2cccc(C)c2c1 ZINC000028525417 KJ Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(C)cc2)cc1 ZINC000028525511 KJ Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(Cl)c2)cc1 ZINC000028525512 KJ Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(Cl)cc2)cc1 ZINC000028525592 KJ Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)c(C)c2)cc1 ZINC000028525593 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028525779 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028525780 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028525781 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028525782 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028526071 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028526072 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028526073 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028526074 KJ Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(OC3CCCC3)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028526328 KJ Annotated Anodyne CCOC(=O)/C1=C/[C@H]2[C@@H](C[C@H](OC(=O)/C=C/c3cn(C)cn3)[C@]3(C)C=C[C@@]1(OC)O3)C(C)=CC[C@@H]2C(C)C ZINC000028526782 KJ Annotated Anodyne CO/N=C(\c1ccc([C@H](C)NS(C)(=O)=O)cc1)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028527293 KJ Annotated Mild C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2[C@@](C)(O)c2ccc(Cl)cc2)cc1 ZINC000028528474 KJ Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2[C@](C)(O)c2ccc(Cl)cc2)cc1 ZINC000028528475 KJ Annotated Anodyne CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)CCCC[C@@H]1CCSS1 ZINC000028529081 KJ Annotated Reactive CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)CCCC[C@H]1CCSS1 ZINC000028529083 KJ Annotated Reactive N#Cc1cccc(-c2ccc(CCN(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)CN3CC[C@@H](O)C3)cc2)c1 ZINC000028529308 KJ Annotated Mild N#Cc1cccc(-c2ccc(CCN(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)CN3CC[C@H](O)C3)cc2)c1 ZINC000028529361 KJ Annotated Mild COC(=O)c1coc([C@H](C)NC(=O)c2nc(-c3csc([C@@H](NC(=O)CC=C(C)C)C(C)C)n3)oc2C)n1 ZINC000028529687 KJ Annotated Anodyne COC(=O)c1coc([C@H](C)NC(=O)c2nc(-c3csc([C@@H](NC(=O)c4cccc(F)c4)C(C)C)n3)oc2C)n1 ZINC000028530261 KJ Annotated Anodyne COC(=O)c1coc([C@H](C)NC(=O)c2nc(-c3csc([C@@H](NC(=O)C4CCCCC4)C(C)C)n3)oc2C)n1 ZINC000028530396 KJ Annotated Anodyne CCCCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000028530806 KJ Annotated Mild CC(C)CCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(=O)CCl)=CC3=O)n1 ZINC000028530887 KJ Annotated Reactive CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(C)C ZINC000028562741 KJ Annotated Reactive CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(C)C ZINC000028562744 KJ Annotated Reactive CCNC(=O)C(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(C)C ZINC000028562914 KJ Annotated Reactive CCNC(=O)C(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(C)C ZINC000028562917 KJ Annotated Reactive O=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000028564296 KJ Annotated Anodyne CNC(=O)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000028564346 KJ Annotated Anodyne CNC(=O)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000028564348 KJ Annotated Anodyne O=C(C[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccncc1)NC1CC1 ZINC000028564634 KJ Annotated Anodyne N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000028564665 KJ Annotated Mild COc1ccc(CCN(Cc2nncn2Cc2ccc(C#N)cc2)C(=O)c2ccc3ccccc3n2)cc1 ZINC000028564752 KJ Annotated Mild C=C(Br)C(=O)Nc1ccc2oc(C(=O)NCCNC(=O)c3cc(OC[C@@]4(c5ccc(Cl)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000028564847 KJ Annotated Mild C=C(Br)C(=O)Nc1ccc2oc(C(=O)NCCNC(=O)c3cc(OC[C@]4(c5ccc(Cl)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000028564849 KJ Annotated Mild CC(C)(C)c1nc(N2CCN(CCCCn3ccc(-c4ccccc4)nc3=O)CC2)cc(C(F)(F)F)n1 ZINC000028566418 KJ Annotated Anodyne CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CCCCC4)nc3=O)CC2)cc(C(F)(F)F)n1 ZINC000028566510 KJ Annotated Anodyne CNS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(C(F)(F)F)c2)c(C)c1 ZINC000028566677 KJ Annotated Anodyne CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1CCCC1=O ZINC000028566823 KJ Annotated Mild CCCCNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028566862 KJ Annotated Anodyne CCCCNC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028566864 KJ Annotated Anodyne CC(=O)CCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028567698 KJ Annotated Anodyne CC(=O)CCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028567699 KJ Annotated Anodyne CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4Cl)CC3)c(=O)[nH]2)ccc1C ZINC000028568581 KJ Annotated Anodyne CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4F)C[C@H]3C)c(=O)[nH]2)ccc1C ZINC000028568857 KJ Annotated Anodyne COc1ccc([C@@H](CC(=O)O)Cc2csc(CCCCNc3cc(N4CCSCC4)ccn3)n2)cn1 ZINC000028568919 KJ Annotated Anodyne COc1ccc([C@H](CC(=O)O)Cc2csc(CCCCNc3cc(N4CCSCC4)ccn3)n2)cn1 ZINC000028568920 KJ Annotated Anodyne CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C(C)(C)C)CC3)c(=O)[nH]2)ccc1C ZINC000028568933 KJ Annotated Anodyne CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)Nc1cnccn1 ZINC000028569062 KJ Annotated Anodyne CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)Nc1cnccn1 ZINC000028569063 KJ Annotated Anodyne CC(C)CC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569084 KJ Annotated Anodyne CCCNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569107 KJ Annotated Anodyne CCCNC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569108 KJ Annotated Anodyne CC(C)CNC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569110 KJ Annotated Anodyne COC(=O)CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569111 KJ Annotated Anodyne COC(=O)CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569112 KJ Annotated Anodyne CC(C)(C)NC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569123 KJ Annotated Anodyne CC(C)(C)NC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569124 KJ Annotated Anodyne Cc1cc(C(=O)NCCCC[C@@H](C(=O)N[C@H](C=O)CC(=O)O)c2cccs2)ccc1Nc1cnc2ccccc2n1 ZINC000028569207 KJ Annotated Mild Cc1cc(C(=O)NCCCC[C@H](C(=O)N[C@H](C=O)CC(=O)O)c2cccs2)ccc1Nc1cnc2ccccc2n1 ZINC000028569208 KJ Annotated Mild O=C(NCCc1c[nH]cn1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569213 KJ Annotated Anodyne Cn1cncc1CCNC(=O)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569215 KJ Annotated Anodyne Cn1cncc1CCNC(=O)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569216 KJ Annotated Anodyne Cn1cnc(CCNC(=O)[C@@H]2CN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)c1 ZINC000028569217 KJ Annotated Anodyne Cn1cnc(CCNC(=O)[C@H]2CN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)c1 ZINC000028569218 KJ Annotated Anodyne CC(C)NC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569272 KJ Annotated Anodyne CC(C)NC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569273 KJ Annotated Anodyne CC(C)c1ncc(COCCCCCc2nnn[nH]2)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569425 KJ Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C/C(O)=N/S(=O)(=O)c3ccccc3)c3ccccc32)nc2ccccc21 ZINC000028569963 KJ Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](COC(=O)c4cc5ccccc5[nH]4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000028569986 KJ Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)c4ccccc4Cl)N3[C@@H](C#N)[C@H](C2)N1C ZINC000028570221 KJ Annotated Mild O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C=N\OCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570532 KJ Annotated Mild C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN ZINC000028570626 KJ Annotated Mild CC(C)CCn1c(Cn2c(=O)n(Cc3ccc(CP(=O)(O)O)cc3)c3ccccc32)nc2ccccc21 ZINC000028570749 KJ Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(Cc3ccccc3S(=O)(=O)O)c3ccccc32)nc2ccccc21 ZINC000028570830 KJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](COC(=O)c4cncc(Br)c4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000028571744 KJ Annotated Mild CC(C)(CN1CN([C@@H](Cc2ccccc2)C(=O)O)CSC1=S)CN1CN([C@@H](Cc2ccccc2)C(=O)O)CSC1=S ZINC000028571827 KJ Annotated Anodyne CC(C)(CN1CN([C@@H](Cc2ccccc2)C(=O)O)CSC1=S)CN1CN([C@H](Cc2ccccc2)C(=O)O)CSC1=S ZINC000028571828 KJ Annotated Anodyne CC(C)(C)c1nc(N2CCN(CCCCn3cccc(C(F)(F)F)c3=O)CC2)cc(C(F)(F)F)n1 ZINC000028572177 KJ Annotated Anodyne CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 ZINC000028572574 KJ Annotated Anodyne CCN(CC)CCC[C@@H](C)N/C(N)=N/C(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC ZINC000028572755 KJ Annotated Mild CCN(CC)CCC[C@H](C)N/C(N)=N/C(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC ZINC000028572757 KJ Annotated Mild O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1Br ZINC000028604253 KJ Annotated Anodyne O=C(O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000028634695 KJ Annotated Anodyne COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(S(N)(=O)=O)cc4)n3)c2)CCOCC1 ZINC000028636504 KJ Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@H](C#N)N3[C@H]4CN5C(=O)c6ccccc6[C@@H]5O[C@H](c5c(OC)c(C)c(OC)c(OC)c54)[C@H]3[C@@H]2N1C ZINC000028637314 KJ Annotated Mild COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@H](C#N)N3[C@H]4CN5C(=O)c6ccccc6[C@H]5O[C@H](c5c(OC)c(C)c(OC)c(OC)c54)[C@H]3[C@@H]2N1C ZINC000028637317 KJ Annotated Mild CC(=O)OCCCc1cc2c3cc(/C=C/C(=O)N4CCOCC4)ccc3[n+](C)c3c4ccccc4n(C)c(c1)c23 ZINC000028639001 KJ Annotated Bother COc1cc(N(C)CCCNC(=O)N[C@H](CS)C(=O)OCc2ccccc2)c2nc(C(C)(C)C)ccc2c1 ZINC000028639413 KJ Annotated Mild COc1cc(Br)c(/C=C/S(=O)(=O)CS(=O)(=O)/C=C/c2cc(OC)c(OC)cc2Br)cc1OC ZINC000028639619 KJ Annotated Anodyne CCCCCOc1c(OC)cc(N(C)CCCNC(=O)N[C@@H](CCSC)C(=O)O)c2nccc(CC)c12 ZINC000028639730 KJ Annotated Clean CCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(=O)C(C)C)=CC3=O)n1 ZINC000028641426 KJ Annotated Mild Cc1nn(-c2ccccc2)c2nc(-c3ccc(C#N)cc3)cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c12 ZINC000028642226 KJ Annotated Reactive CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OC4CCCCC4)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000028642350 KJ Annotated Mild CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OCCC(C)C)c(C)c4c3[nH]c3ccccc34)nc2C1=O ZINC000028642365 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccncc2)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028642752 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccncc2)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028642754 KJ Annotated Mild O=C1O/C(=C\Cn2cc(-c3ccc(Br)o3)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028642835 KJ Annotated Anodyne O=C1O/C(=C\Cn2cc(-c3ccc(Cl)o3)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028642920 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccc2O)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644278 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccc2O)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644281 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644489 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644492 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccn2)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644759 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccn2)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644762 KJ Annotated Mild O=C(O)C[C@@H]1[C@@H](c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C1(Br)Br ZINC000028648262 KJ Annotated Anodyne O=C(O)C[C@H]1[C@@H](c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C1(Br)Br ZINC000028648265 KJ Annotated Anodyne O=C(O)C[C@@H]1[C@H](c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C1(Br)Br ZINC000028648267 KJ Annotated Anodyne O=C(O)C[C@H]1[C@H](c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C1(Br)Br ZINC000028648269 KJ Annotated Anodyne O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1[C@H](c2ccc(Br)c(Br)c2)OC2(C(=O)c3ccccc3C2=O)[C@@H]1C(=O)O ZINC000028650637 KJ Annotated Clean O=C(O)[C@H]1[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H](c2ccc(Br)c(Br)c2)OC12C(=O)c1ccccc1C2=O ZINC000028650640 KJ Annotated Clean O=C1NC(=O)[C@@H]2[C@@H]3C=C([C@](O)(c4ccccc4)c4ccccn4)[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]12 ZINC000028655145 KJ Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]3C=C([C@@](O)(c4ccccc4)c4ccccn4)[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]12 ZINC000028655148 KJ Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C([C@](O)(c3ccccc3)c3ccccn3)[C@H]2C1=C(c1ccccc1)c1ccccc1 ZINC000028655150 KJ Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C([C@@](O)(c3ccccc3)c3ccccn3)[C@H]2C1=C(c1ccccc1)c1ccccc1 ZINC000028655153 KJ Annotated Anodyne CONC(=O)c1cc(/C(=C\CCCC(=O)OC(C)(C)C)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000028656377 KJ Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CC(C)C)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028703375 KJ Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H](OC(=O)c3cc(I)c(OC[C@@H]4CO4)cc3OC[C@@H]3CO3)CC[C@@H]12 ZINC000028704002 KJ Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H](OC(=O)c3cc(I)c(OC[C@H]4CO4)cc3OC[C@@H]3CO3)CC[C@@H]12 ZINC000028704004 KJ Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H](OC(=O)c3cc(I)c(OC[C@@H]4CO4)cc3OC[C@H]3CO3)CC[C@@H]12 ZINC000028704006 KJ Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H](OC(=O)c3cc(I)c(OC[C@H]4CO4)cc3OC[C@H]3CO3)CC[C@@H]12 ZINC000028704008 KJ Annotated Anodyne CCOC(=O)N1CCN(n2c([C@@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)nc3ccccc3c2=O)CC1 ZINC000028705602 KJ Annotated Anodyne CCOC(=O)N1CCN(n2c([C@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)nc3ccccc3c2=O)CC1 ZINC000028705605 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)c(OC)c1 ZINC000028705653 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)c(OC)c1 ZINC000028705656 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H](C)N3CCCC3)CC2)c(OC)c1 ZINC000028705677 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H](C)N3CCCC3)CC2)c(OC)c1 ZINC000028705680 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC000028705683 KJ Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC000028705686 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCN(n2c([C@@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)nc3ccccc3c2=O)CC1)C(C)C ZINC000028705746 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCN(n2c([C@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)nc3ccccc3c2=O)CC1)C(C)C ZINC000028705749 KJ Annotated Anodyne C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)Nc3ccccc3)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000028709955 KJ Annotated Mild COc1c(NC(=O)c2cc3cccc(NC(=O)c4cccnc4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710597 KJ Annotated Anodyne CNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)n(C)c23)cn1 ZINC000028710600 KJ Annotated Anodyne COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCCN(C)C)nc4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710604 KJ Annotated Anodyne COCCNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)n(C)c23)cn1 ZINC000028710612 KJ Annotated Anodyne CCCCCC#Cc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)[nH]c1=O ZINC000028711151 KJ Annotated Mild O=C1O/C(=C\Cn2cc(C#CCCc3ccccc3)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028711155 KJ Annotated Mild O=C1O/C(=C\Cn2cc(C#Cc3ccc(Br)cc3)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028711156 KJ Annotated Mild Cn1cncc1[C@@](N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1ccc(Cl)s1 ZINC000028712109 KJ Annotated Anodyne Cn1cncc1[C@](N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1ccc(Cl)s1 ZINC000028712110 KJ Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccc(OC(F)(F)F)cc4)cc(c23)C1=O ZINC000028712278 KJ Annotated Anodyne COc1cc2cc[n+](C)c(Cc3ccccc3Cc3c4cc(OC)c(OC)cc4cc[n+]3C)c2cc1OC ZINC000028712422 KJ Annotated Anodyne COc1cc2cc[n+](C)c(Cc3ccccc3Cc3c4c(OC)c(OC)c(OC)cc4cc[n+]3C)c2c(OC)c1OC ZINC000028712425 KJ Annotated Anodyne O[C@@](CN1CCN(c2ccc(/N=C/c3ccc(Cl)cc3)cc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000028712563 KJ Annotated Mild O[C@](CN1CCN(c2ccc(/N=C/c3ccc(Cl)cc3)cc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000028712564 KJ Annotated Mild O[C@@](CN1CCN(c2ccc(/N=C/c3ccc(Br)cc3)cc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000028712565 KJ Annotated Mild O[C@](CN1CCN(c2ccc(/N=C/c3ccc(Br)cc3)cc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000028712566 KJ Annotated Mild C[C@H]1COc2c(N3CCN(C/C(=N\OCc4ccccc4)c4ccccc4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000028712709 KJ Annotated Mild CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)CCCN(C)CCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714074 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000028714435 KJ Annotated Anodyne CCCCCO[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1 ZINC000028714437 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)[C@H]3OC(C)=O ZINC000028714503 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3 ZINC000028714517 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]3C[C@]2(OC3(C)C)[C@@H]1C ZINC000028714518 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@](C)(O)[C@@]23C[C@@H]([C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3 ZINC000028714525 KJ Annotated Anodyne Cc1cc(Nc2ccc(O)c(CN3CCN(C)CC3)c2)nc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000028759061 KJ Annotated Clean CCN(CC)CCn1nc2c3c(c(NCCN(C)C(=O)OCc4ccccc4)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028759116 KJ Annotated Clean Cc1ccc(S(=O)(=O)N(c2cccc(OCCNc3ccncc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000028759359 KJ Annotated Anodyne OCCOCOCc1cc(CCCCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1 ZINC000028759755 KJ Annotated Anodyne CC(C)N1CCN(c2ccc(OC[C@H]3C[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000028759771 KJ Annotated Clean Cn1cc(C(=O)O)c(=O)c2c3cc(N4CCN(c5ccc(Cl)c(F)c5)CC4)c(Cl)c(F)c3ncc21 ZINC000028762201 KJ Annotated Bother COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/NC(=S)Nc3ccc(C)cc3)c(C(=O)O)c1O)CC2 ZINC000028763983 KJ Annotated Mild COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/NC(=S)N(C)C3CCCCC3)c(C(=O)O)c1O)CC2 ZINC000028764186 KJ Annotated Mild COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/NC(=S)NC3CCCCCCC3)c(C(=O)O)c1O)CC2 ZINC000028764702 KJ Annotated Mild COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/NC(=S)NC3CCCCCC3)c(C(=O)O)c1O)CC2 ZINC000028764704 KJ Annotated Mild CN(CCCNC(=O)c1cccc2nc3cccc(N(C)C)c3nc12)CCCNC(=O)c1cccc2nc3cccc(N(C)C)c3nc12 ZINC000028766307 KJ Annotated Bother COC(=O)CCCC[C@H]1[C@@H]2[C@@H](CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028768533 KJ Annotated Anodyne COC(=O)CCCC[C@H]1[C@H]2[C@@H](CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028768535 KJ Annotated Anodyne COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028768537 KJ Annotated Anodyne COC(=O)CCCC[C@H]1[C@H]2[C@H](CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028768539 KJ Annotated Anodyne O=C1N(Cc2cccc(Br)c2)[C@@H]2CS(=O)(=O)[C@@H](CCCCCO)[C@H]2N1Cc1cccc(Br)c1 ZINC000028768982 KJ Annotated Anodyne O=C1N(Cc2cccc(Br)c2)[C@@H]2CS(=O)(=O)[C@@H](CCCCCO)[C@@H]2N1Cc1cccc(Br)c1 ZINC000028768984 KJ Annotated Anodyne O=C1N(Cc2cccc(Br)c2)[C@@H]2[C@H](CCCCCO)S(=O)(=O)C[C@@H]2N1Cc1cccc(Br)c1 ZINC000028768986 KJ Annotated Anodyne O=C1N(Cc2cccc(Br)c2)[C@H]2CS(=O)(=O)[C@@H](CCCCCO)[C@@H]2N1Cc1cccc(Br)c1 ZINC000028768988 KJ Annotated Anodyne CC(=O)C[C@@H]1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)c2ccc3ccccc3c2)OC1=O ZINC000028769556 KJ Annotated Mild CC(=O)C[C@H]1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)c2ccc3ccccc3c2)OC1=O ZINC000028769558 KJ Annotated Mild CC(=O)C[C@@H]1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)c2ccc(C(F)(F)F)cc2)OC1=O ZINC000028770158 KJ Annotated Mild CC(=O)C[C@H]1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)c2ccc(C(F)(F)F)cc2)OC1=O ZINC000028770160 KJ Annotated Mild CC(=O)C[C@@H]1C[C@@H](CCCCCCCC#C[C@H](O)COCCOC[C@H](O)c2ccc3ccccc3c2)OC1=O ZINC000028771060 KJ Annotated Mild CC(=O)C[C@H]1C[C@@H](CCCCCCCC#C[C@H](O)COCCOC[C@H](O)c2ccc3ccccc3c2)OC1=O ZINC000028771062 KJ Annotated Mild CCOC(=O)c1cc2c(cc1Cl)SC(N(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1)=NS2(=O)=O ZINC000028814828 KJ Annotated Anodyne CCOC(=O)c1cc2c(cc1Cl)SC(N(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1)=NS2(=O)=O ZINC000028814830 KJ Annotated Anodyne Cn1cncc1CN1C[C@@H](N(Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815080 KJ Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815082 KJ Annotated Mild Cn1cncc1CN1C[C@@H](N(CCc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815094 KJ Annotated Mild Cn1cncc1CN1C[C@H](N(CCc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815095 KJ Annotated Mild Cn1cncc1CN1C[C@@H](N(CC2CCN(C(=O)c3ccc(Cl)cc3)CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815506 KJ Annotated Mild Cn1cncc1CN1C[C@H](N(CC2CCN(C(=O)c3ccc(Cl)cc3)CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815508 KJ Annotated Mild COC(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cccc3ccccc23)CC1 ZINC000028815678 KJ Annotated Mild COC(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cccc3ccccc23)CC1 ZINC000028815680 KJ Annotated Mild CC(C)OC(=O)N1CCC(CN([C@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)cn3)C2)S(=O)(=O)c2cn(C)cn2)CC1 ZINC000028816051 KJ Annotated Anodyne CC(C)OC(=O)N1CCC(CN([C@@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)cn3)C2)S(=O)(=O)c2cn(C)cn2)CC1 ZINC000028816053 KJ Annotated Anodyne Cn1cnc(CN2C[C@@H](N(Cc3ccccc3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816069 KJ Annotated Anodyne Cn1cnc(CN2C[C@H](N(Cc3ccccc3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816071 KJ Annotated Anodyne Cc1ccccc1CN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816073 KJ Annotated Anodyne Cc1ccccc1CN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816076 KJ Annotated Anodyne Cn1cnc(CN2C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3cccs3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816096 KJ Annotated Anodyne Cn1cnc(CN2C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3cccs3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816098 KJ Annotated Anodyne Cn1cnc(CN2C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3ccccc3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816100 KJ Annotated Anodyne Cn1cnc(CN2C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3ccccc3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816101 KJ Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2c1 ZINC000028817479 KJ Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2c1 ZINC000028817480 KJ Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3C(F)(F)F)SCC(=O)N5)C4)c2c1 ZINC000028817486 KJ Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3C(F)(F)F)SCC(=O)N5)C4)c2c1 ZINC000028817487 KJ Annotated Anodyne COc1cc(-c2nnc(Sc3ncnc4ccc(I)cc34)s2)cc(OC)c1OC ZINC000028819730 KJ Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819866 KJ Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819868 KJ Annotated Anodyne CCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819883 KJ Annotated Anodyne CCCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819885 KJ Annotated Anodyne CCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819890 KJ Annotated Anodyne CCCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819892 KJ Annotated Anodyne COc1ccc(C[C@H](NC(=O)Cc2cccc(Oc3ccccc3)c2)C(=O)N[C@@H](C(=O)N[C@@]2(Cc3ccccc3)CNC2=O)C(C)(C)C)c(OC)c1OC ZINC000028820081 KJ Annotated Anodyne COc1ccc(C[C@H](NC(=O)Cc2cccc(Oc3ccccc3)c2)C(=O)N[C@H](C(=O)N[C@@]2(Cc3ccccc3)CNC2=O)C(C)(C)C)c(OC)c1OC ZINC000028820084 KJ Annotated Anodyne COc1ccc(CNC(=O)c2ccc([C@H]3c4[nH]cnc4CCN3Cc3cc(OC)c(OC)cc3OC)cc2)cc1 ZINC000028820400 KJ Annotated Anodyne COc1ccc(CNC(=O)c2ccc([C@@H]3c4[nH]cnc4CCN3Cc3cc(OC)c(OC)cc3OC)cc2)cc1 ZINC000028820402 KJ Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](/C(O)=N/S(C)(=O)=O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822190 KJ Annotated Mild CCc1ccc(/C=C2\SC(N[C@H](/C(O)=N/S(=O)(=O)c3ccc(C)cc3)c3ccc(F)cc3)=NC2=O)o1 ZINC000028822371 KJ Annotated Mild CCc1ccc(/C=C2\SC(N[C@H](/C(O)=N/S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccc(F)cc3)=NC2=O)o1 ZINC000028822373 KJ Annotated Mild CCc1ccc(/C=C2\SC(N[C@H](/C(O)=N/S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(F)cc3)=NC2=O)o1 ZINC000028822376 KJ Annotated Mild OC1=NC(=S)S/C1=C\c1c(C(F)(F)F)nn(C2CCCCC2)c1N1CCN(c2ncccn2)CC1 ZINC000028822838 KJ Annotated Anodyne O[C@@H]1[C@@H](OC[C@H]2O[C@H](CN(CC3CCCCC3)CC3CCCCC3)[C@@H](O)[C@@H]2O)O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@H]1O ZINC000028822889 KJ Annotated Anodyne CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(C#CCCO)cc2Cl)c(Cl)c1 ZINC000028823596 KJ Annotated Mild CC(C)(O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1 ZINC000028823603 KJ Annotated Mild CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1)OCC(=O)O ZINC000028823604 KJ Annotated Mild CC(C)(N)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1 ZINC000028823606 KJ Annotated Mild CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1)CO ZINC000028823613 KJ Annotated Mild CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1)CNCC(=O)O ZINC000028823619 KJ Annotated Mild CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1)/C(O)=N/S(C)(=O)=O ZINC000028823621 KJ Annotated Mild O=C(CSc1nnnn1-c1ccc(C2CC2)cc1Cl)Nc1ccc(C#CC2(C(=O)O)CC2)cc1Cl ZINC000028823622 KJ Annotated Mild CCOC(=O)N1[C@@H]2C=C[C@@](OC)(C(=O)c3c2cc(OC)c(OC)c3OCc2ccc(Cl)cc2)N1C(=O)OCC ZINC000028823735 KJ Annotated Anodyne CCCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823740 KJ Annotated Anodyne CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823897 KJ Annotated Anodyne Cc1cc(C)cc(CN2C(=O)[C@H](Cc3ccccc3)N(C/C=C/CCC(=O)NO)C(=O)c3ccccc32)c1 ZINC000028824361 KJ Annotated Bother CN(c1cc2cc(c1)[C@H](C(F)(F)F)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O ZINC000028824383 KJ Annotated Anodyne CN(c1cc2cc(c1)[C@@H](C(F)(F)F)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O ZINC000028824384 KJ Annotated Anodyne CC(C)CCn1c(CN2C(=O)N(CC(=O)OC(C)(C)C)S(=O)(=O)c3ccccc32)nc2ccccc21 ZINC000028824563 KJ Annotated Anodyne Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)Nc5nc6cc(C(=O)c7ccccc7)ccc6[nH]5)cs4)CC3)c(C)n2n1 ZINC000028824719 KJ Annotated Anodyne C[C@H]1CN[C@H](C)CN1CCCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CC[C@]2(c3cnc(CN)s3)C[C@H]12 ZINC000028825141 KJ Annotated Anodyne O=C(N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028826162 KJ Annotated Anodyne O=C(N[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1 ZINC000028826165 KJ Annotated Anodyne O=C(N[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028826167 KJ Annotated Anodyne O=C(N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1 ZINC000028826169 KJ Annotated Anodyne COc1cc2c(cc1OCCCCN1CCN(C3=NS(=O)(=O)c4ccccc4N3c3ccccc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000028826334 KJ Annotated Anodyne CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C(C)(C)C)cc1)C2 ZINC000028864114 KJ Annotated Anodyne CCSc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864130 KJ Annotated Anodyne Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)sc2ccccc12 ZINC000028864146 KJ Annotated Anodyne Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3ccccc3)C2)sc2ccccc12 ZINC000028864160 KJ Annotated Anodyne Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3ccccc3F)C2)sc2ccccc12 ZINC000028864161 KJ Annotated Anodyne Cc1ccc(CN2CCc3c(c(=O)n(C[C@@H]4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864200 KJ Annotated Anodyne Cc1ccc(CN2CCc3c(c(=O)n(C[C@H]4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864202 KJ Annotated Anodyne O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCN1Cc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864264 KJ Annotated Anodyne CN(C)[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2)c1ccccc1 ZINC000028864271 KJ Annotated Anodyne O=C(/C=C/C(=O)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1 ZINC000028865322 KJ Annotated Mild Cc1ccc(NC(=O)/C=C/C(=O)N2C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000028865333 KJ Annotated Mild O=C(O)c1cn(C2CC2)c2nc(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000028867385 KJ Annotated Bother O=C(O)c1cn(C2CC2)c2nc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000028867389 KJ Annotated Bother COc1cc(C2=NCCN2)cc2cc(CCCCCc3cc4cc(C5=NCCN5)cc(OC)c4o3)oc12 ZINC000028870156 KJ Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2cc(OC)c(OC)cc2OC)OC1=O ZINC000028874047 KJ Annotated Mild COc1ccc(C)c(O[C@@H](CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1 ZINC000028874800 KJ Annotated Anodyne COc1ccc(C)c(O[C@H](CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1 ZINC000028874804 KJ Annotated Anodyne COc1ccc(C)c(O[C@@H](CCN2CCC(n3c(=O)n(C[S@@](C)=O)c4ccccc43)CC2)C(C)C)c1 ZINC000028874864 KJ Annotated Anodyne COc1ccc(C)c(O[C@H](CCN2CCC(n3c(=O)n(C[S@@](C)=O)c4ccccc43)CC2)C(C)C)c1 ZINC000028874869 KJ Annotated Anodyne COc1ccc(C)c(O[C@@H](CCN2CCC(n3c(=O)n(C[S@](C)=O)c4ccccc43)CC2)C(C)C)c1 ZINC000028874873 KJ Annotated Anodyne COc1ccc(C)c(O[C@H](CCN2CCC(n3c(=O)n(C[S@](C)=O)c4ccccc43)CC2)C(C)C)c1 ZINC000028874876 KJ Annotated Anodyne Cc1c(O)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028876574 KJ Annotated Anodyne Cc1c(O)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028876580 KJ Annotated Anodyne Cc1cc2c(c3oc(=O)cc(O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000028876585 KJ Annotated Anodyne Cc1cc2c(c3oc(=O)cc(O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000028876592 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(c(O)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028876596 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(c(O)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000028876602 KJ Annotated Anodyne OCC1(N2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CCCC1 ZINC000028880873 KJ Annotated Anodyne OCC1(N2CCN([C@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CCCC1 ZINC000028880881 KJ Annotated Anodyne C[C@@]1(CC=C2CCCCC2)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)c2ccccc21 ZINC000028882620 KJ Annotated Mild C[C@]1(CC=C2CCCCC2)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)c2ccccc21 ZINC000028882626 KJ Annotated Mild C[C@]1(CCC2CCCCC2)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)c2ccccc21 ZINC000028882693 KJ Annotated Mild CCc1ccccc1N(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000028890746 KJ Annotated Anodyne COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1C[C@H](F)C[C@H]1C=N3)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000028894165 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)C(NCCc2cc(Br)c(O)c(Br)c2)=CC4=NCC3)cc1 ZINC000028895576 KJ Annotated Mild C=C(Br)C(=O)Nc1ccc2[nH]c(C(=O)NCCCNc3nsc4nc5ccccc5n34)cc2c1 ZINC000028896256 KJ Annotated Anodyne CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2-c2nnc(O)o2)cc1 ZINC000028897170 KJ Annotated Anodyne CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2-c2noc(O)n2)cc1 ZINC000028897175 KJ Annotated Anodyne Cc1ccnc(C)c1C(=O)N1CCC(N(CCc2ccc([N+](=O)[O-])cc2)Cc2c(C)n(C)n(-c3ccc(F)cc3)c2=O)CC1 ZINC000028897880 KJ Annotated Bother C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000028898325 KJ Annotated Anodyne CNc1cccc(F)c1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)C(F)(F)F)cc1 ZINC000028898872 KJ Annotated Anodyne C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2N(C)C)cc1 ZINC000028898882 KJ Annotated Anodyne C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028899944 KJ Annotated Mild in-vitro biogenic Cc1cc(=O)oc2c3c(ccc12)CC[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028902481 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)CC[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000028902486 KJ Annotated Anodyne O=S(=O)(Nc1ccc(-c2nc3n(n2)S(=O)(=O)c2ccccc2N3c2ccccc2)cc1)c1ccccc1 ZINC000028948671 KJ Annotated Anodyne O=S(=O)(Nc1ccc(-c2nc3n(n2)S(=O)(=O)c2ccccc2N3c2ccccc2)cc1)c1ccc(F)cc1 ZINC000028948673 KJ Annotated Anodyne CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O ZINC000028949950 KJ Annotated Anodyne CC(C)S(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)COC2 ZINC000028949981 KJ Annotated Anodyne CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccc(F)cc1)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O ZINC000028949988 KJ Annotated Anodyne C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(Br)cc(c2)COC1=O ZINC000028950041 KJ Annotated Anodyne CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc(-c4ccc(Cl)cc4Cl)[nH]c23)cc1 ZINC000028950437 KJ Annotated Anodyne Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952454 KJ Annotated Anodyne Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952460 KJ Annotated Anodyne O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)ns1)c1ccc(Nc2cc(NCCO)ncn2)cc1 ZINC000028953199 KJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000028953848 KJ Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000028953850 KJ Annotated Mild COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954141 KJ Annotated Anodyne CSCC[C@H](NCc1cccc(NC(=O)C[C@H]2COc3ncccc3O2)c1-c1ccccc1C)C(=O)O ZINC000028957515 KJ Annotated Anodyne CSCC[C@@H](NCc1cccc(NC(=O)C[C@@H]2COc3ncccc3O2)c1-c1ccccc1C)C(=O)O ZINC000028957517 KJ Annotated Anodyne CSCC[C@@H](NCc1cccc(NC(=O)C[C@H]2COc3ncccc3O2)c1-c1ccccc1C)C(=O)O ZINC000028957519 KJ Annotated Anodyne CSCC[C@H](NCc1cccc(NC(=O)C[C@@H]2COc3ncccc3O2)c1-c1ccccc1C)C(=O)O ZINC000028957521 KJ Annotated Anodyne CO[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@@]3(O)C[C@H]2C2=C1[C@H](C)[C@@H]1OC(=O)C(C)=C[C@@H]1C2)C=CC(=O)OC4(C)C ZINC000028964459 KJ Annotated Anodyne CO[C@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@@]3(O)C[C@H]2C2=C1[C@H](C)[C@@H]1OC(=O)C(C)=C[C@@H]1C2)C=CC(=O)OC4(C)C ZINC000028964471 KJ Annotated Anodyne NC(=O)CN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1)C1CC1 ZINC000028965112 KJ Annotated Anodyne NC(=O)CN(C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1)C1CC1 ZINC000028965118 KJ Annotated Anodyne NC(=O)CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965134 KJ Annotated Anodyne NC(=O)CN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965140 KJ Annotated Anodyne NC(=O)CN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965146 KJ Annotated Anodyne NC(=O)CN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965151 KJ Annotated Anodyne CCCCCCOC(=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 ZINC000028966590 KJ Annotated Anodyne CC(=O)O[C@]12CCC(C(=O)OCC3CCCCC3)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966599 KJ Annotated Anodyne COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(=O)Cc2ccc(Cl)cc2)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966682 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1 ZINC000028968068 KJ Annotated Mild CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)ccc32)C[C@@H]1C(=O)NCc1ccc[n+]([O-])c1 ZINC000028968248 KJ Annotated Anodyne CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)ccc32)C[C@@H]1C(=O)NCc1ccc[n+]([O-])c1 ZINC000028968253 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)CN(CS(=O)(=O)c2ccc(C)cc2)c2ccc(Br)cc2F)cc1 ZINC000028968339 KJ Annotated Anodyne O=C(NCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)s1)c1ccccc1 ZINC000028969395 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(O)cc46)CO[C@@H](C)[C@H]5O)c2c1)[C@H](O)[C@H](C)OC3 ZINC000028969704 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc(OC)c5c(O)c6c(cc45)[C@H](O)[C@H](C)OC6)c2c1)[C@H](O)[C@H](C)OC3 ZINC000028969714 KJ Annotated Anodyne O=C(O)c1cc2oc3c(Oc4ccc(-c5ccc(OS(=O)(=O)O)c(O)c5)cc4O)cc(O)cc3c2cc1O ZINC000028971733 KJ Annotated Anodyne COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 ZINC000028973251 KJ Annotated Anodyne CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976106 KJ Annotated Anodyne N#Cc1ncccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000028979427 KJ Annotated Mild N#Cc1ncccc1-c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000028979431 KJ Annotated Mild CCc1c(Cc2cc(C)cc(C)c2)n(COCC#Cc2ccc(C#CCOCn3c(Cc4cc(C)cc(C)c4)c(CC)c(=O)[nH]c3=O)cc2)c(=O)[nH]c1=O ZINC000029037400 KJ Annotated Mild CCN(CC)CCCNc1nc(NCc2ccc3c(c2)OCO3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038888 KJ Annotated Anodyne CCN(CC)CCCNc1cc2c(=O)n(CCCN(CC)CC)c(=O)c3c(NCCCN(CC)CC)cc4c(=O)n(CCCN(CC)CC)c(=O)c1c4c23 ZINC000029041114 KJ Annotated Bother Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCCC4)c3)nc(-c3ccc(C)o3)n2)n1 ZINC000029041684 KJ Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](OC(=O)NCCBr)([C@@H]1CSC(=O)N1)C2 ZINC000029041949 KJ Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](OC(=O)NCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000029041958 KJ Annotated Reactive CC1=C[C@H]2C(=O)[C@@]3(O[C@@H](c4ccc(Br)c(Br)c4)[C@@H](C(=O)Nc4ccc(N5CCOCC5)cc4)[C@H]3C(=O)O)C(=O)[C@@H]2S1 ZINC000029042189 KJ Annotated Anodyne CC1=C[C@@H]2C(=O)[C@@]3(O[C@@H](c4ccc(Br)c(Br)c4)[C@@H](C(=O)Nc4ccc(N5CCOCC5)cc4)[C@H]3C(=O)O)C(=O)[C@@H]2S1 ZINC000029042190 KJ Annotated Anodyne CC1=C[C@H]2C(=O)[C@@]3(O[C@@H](c4ccc(Br)c(Br)c4)[C@@H](C(=O)Nc4ccc(N5CCOCC5)cc4)[C@H]3C(=O)O)C(=O)[C@H]2S1 ZINC000029042192 KJ Annotated Anodyne CC1=C[C@@H]2C(=O)[C@@]3(O[C@@H](c4ccc(Br)c(Br)c4)[C@@H](C(=O)Nc4ccc(N5CCOCC5)cc4)[C@H]3C(=O)O)C(=O)[C@H]2S1 ZINC000029042194 KJ Annotated Anodyne O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1[C@H](c2ccccc2)CC2(C(=O)c3ccccc3C2=O)[C@@H]1C(=O)O ZINC000029042351 KJ Annotated Clean O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc(C3CC3)[nH]c2-c2ccnc(NCCN3CCNC3=O)n2)c1 ZINC000029042492 KJ Annotated Anodyne Nc1ccc2[nH]cc(C3CCN([C@@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044133 KJ Annotated Anodyne Nc1ccc2[nH]cc(C3CCN([C@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044136 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](CO)NC3CCCC3)c2=O)c1Cl ZINC000029044902 KJ Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)N[C@H](C)C4CCCCC4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029045934 KJ Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)N[C@@H](C)C4CCCCC4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029046054 KJ Annotated Anodyne Oc1ccc(CNc2ccc(-c3ccc(OC[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cn2)cc1 ZINC000029046785 KJ Annotated Anodyne Oc1ccc(CNc2ccc(-c3ccc(OC[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cn2)cc1 ZINC000029046788 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(-c4ccccc4)cc3)nn2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O ZINC000029047005 KJ Annotated Mild C[C@H]1COC[C@@H](C)N1Cc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047251 KJ Annotated Anodyne C[C@H]1COC[C@@H](C)N1Cc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047254 KJ Annotated Anodyne O=S(=O)(c1cc2c(cc1F)O[C@@](c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1 ZINC000029054861 KJ Annotated Anodyne O=S(=O)(c1cc2c(cc1F)O[C@](c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1 ZINC000029054865 KJ Annotated Anodyne Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CNC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1C ZINC000029054962 KJ Annotated Anodyne CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4c(F)cccc4Cl)cnc3OC(C)(C)[C@H]2O)cc1 ZINC000029055824 KJ Annotated Anodyne CC/N=c1/cc2oc3cc(NCCCC(=O)N[C@H](C(=O)OC)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058972 KJ Annotated Bother CC/N=c1/cc2oc3cc(NCCCC(=O)N[C@@H](C(=O)OC)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058977 KJ Annotated Bother CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000029059089 KJ Annotated Anodyne CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(S(C)(=O)=O)n(CCC(C)(C)O)n1 ZINC000029062135 KJ Annotated Anodyne COCCOCCOc1cc2c(cc1OC)NC(=O)c1ccc(-c3ccc([N+](=O)[O-])c(OC)c3)cc1N2 ZINC000029125331 KJ Annotated Bother CN(CCO)C(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125506 KJ Annotated Anodyne CN(CCO)C(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125507 KJ Annotated Anodyne O=C1CCCCN1c1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029125934 KJ Annotated Anodyne O=C1CCCCN1c1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029125935 KJ Annotated Anodyne NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CN2S(=O)(=O)c1ccccc1 ZINC000029126303 KJ Annotated Mild O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000029126869 KJ Annotated Bother O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000029126870 KJ Annotated Bother COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000029127146 KJ Annotated Mild O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3ncnc(Sc4ccccc4)c32)OCc2ccccc21 ZINC000029128008 KJ Annotated Bother O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](n2cnc3ncnc(Sc4ccccc4)c32)OCc2ccccc21 ZINC000029128009 KJ Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](n3cnc4ncnc(Sc5ccccc5)c43)OCc3ccccc32)cc1 ZINC000029128058 KJ Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](n3cnc4ncnc(Sc5ccccc5)c43)OCc3ccccc32)cc1 ZINC000029128059 KJ Annotated Bother O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H](n2cnc3nc[nH]c(=O)c32)OCc2ccccc21 ZINC000029128105 KJ Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H](n2cnc3nc[nH]c(=O)c32)OCc2ccccc21 ZINC000029128106 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CN2CCCCC2)C1 ZINC000029128211 KJ Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)NCCC(=O)O)Cc2cccc3ccccc23)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000029128266 KJ Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)NCCC(=O)O)Cc2cccc3ccccc23)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000029128267 KJ Annotated Anodyne COc1ccc(CCC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@@H]2c2ccccc2)cc1OC ZINC000029128833 KJ Annotated Mild COc1ccc(CCC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@H]2c2ccccc2)cc1OC ZINC000029128834 KJ Annotated Mild O=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 ZINC000029128907 KJ Annotated Anodyne CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc(C2CC2)c(CO)n1-c1ccc(C#N)cc1 ZINC000029129119 KJ Annotated Mild COc1c(C)cc(C(=CCCc2nnn(C)n2)c2cc(C)c(OC)c(C(=O)SC)c2)cc1C(=O)SC ZINC000029129238 KJ Annotated Anodyne CCN(CC)[C@@H]1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)C1 ZINC000029129258 KJ Annotated Anodyne CCN(CC)[C@H]1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)C1 ZINC000029129260 KJ Annotated Anodyne Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 ZINC000029131054 KJ Annotated Anodyne Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 ZINC000029131061 KJ Annotated Anodyne CC(C)(C)CCCC[C@@]1(C)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)c2ccccc21 ZINC000029131197 KJ Annotated Mild C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C[C@H]2CC=CCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000029131992 KJ Annotated Mild C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C[C@H](C)CC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000029132739 KJ Annotated Mild CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1c(C(=O)Nc2ccccc2)nn(-c2ccccc2)c1C ZINC000029133135 KJ Annotated Bother Cc1cc(C)cc(N(CCO)Cc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029133952 KJ Annotated Anodyne Cc1cccc(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134034 KJ Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCCN(C)CCCNc4ccc5c6c(nn5CCN(C)C)-c5ccncc5C(=O)c46)ccc31)C(=O)c1cnccc1-2 ZINC000029134126 KJ Annotated Clean Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134128 KJ Annotated Anodyne Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134258 KJ Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCCN(C)CCCNc4ccc5c6c(nn5CCN(C)C)-c5cnccc5C(=O)c46)ccc31)C(=O)c1ccncc1-2 ZINC000029134260 KJ Annotated Clean Cc1cc(C)cc(N(CCCC(N)=O)Cc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134651 KJ Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000029205620 KJ Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000029205626 KJ Annotated Anodyne CCOC(=O)N1CCN(CCn2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c(C(C)=O)c2=O)CC1 ZINC000029206310 KJ Annotated Anodyne COc1nc(Br)cnc1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1-c1ccc(CC(C)C)cc1 ZINC000029206445 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000029206975 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000029206980 KJ Annotated Anodyne Cc1cccc2nc3cccc(C(=O)NCCN(C)CCN(C)CCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12 ZINC000029208967 KJ Annotated Bother COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000029210523 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000029210529 KJ Annotated Anodyne C=C(Br)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 ZINC000029211607 KJ Annotated Mild Cc1cccc2nc3cccc(C(=O)NCCN(C)CCCN(C)CCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12 ZINC000029212828 KJ Annotated Bother 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(CC=C(F)F)[C@H](C)CO2)[C@]13C(=O)O ZINC000029214105 KJ Annotated Mild C=C(Cl)CON1C[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 ZINC000029216736 KJ Annotated Mild C=C(Cl)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 ZINC000029218482 KJ Annotated Mild CC(C)C[C@@H](CO[C@@H]1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC000029230236 KJ Annotated Anodyne CC(C)C[C@@H](CO[C@H]1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC000029230242 KJ Annotated Anodyne CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029231383 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029231389 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1)C(=O)OC(C)(C)C ZINC000029231395 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1)C(=O)OC(C)(C)C ZINC000029231400 KJ Annotated Bother COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000029237800 KJ Annotated Reactive investigational CC(C)C[C@@H](CO[C@H]1CC(=O)N1C(=O)N[C@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC000029237982 KJ Annotated Anodyne CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029238065 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029238073 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)ccc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029242601 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)ccc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029242608 KJ Annotated Bother CCC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029244287 KJ Annotated Reactive CCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029244297 KJ Annotated Reactive CCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029244304 KJ Annotated Reactive CCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029244311 KJ Annotated Reactive COc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CCN(C)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000029244867 KJ Annotated Anodyne COc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CCN(C)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000029244874 KJ Annotated Anodyne COc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CCN(C)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000029244882 KJ Annotated Anodyne COc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CCN(C)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000029244890 KJ Annotated Anodyne CC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029248757 KJ Annotated Reactive CC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029248761 KJ Annotated Reactive CC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029248767 KJ Annotated Reactive CC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029248774 KJ Annotated Reactive CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029248826 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029248833 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029249420 KJ Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029249426 KJ Annotated Bother CC(=O)N1N=C2[C@@H](Cc3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029250893 KJ Annotated Anodyne CC(=O)N1N=C2[C@H](Cc3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029250901 KJ Annotated Anodyne CC(=O)N1N=C2[C@@H](CS(=O)(=O)C[C@@H]2Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029250906 KJ Annotated Anodyne CC(=O)N1N=C2[C@H](Cc3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029250911 KJ Annotated Anodyne NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccc(F)c(F)c3)[C@H](O)[C@H]2CCc2ccc(F)c(F)c2)c1 ZINC000029253520 KJ Annotated Anodyne COc1cc(O)ccc1CN1CCC[C@@H]1C/N=C(\S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1 ZINC000029329861 KJ Annotated Mild CN(C)CCCOc1ccccc1CC(=O)N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@@H]2C1 ZINC000029333698 KJ Annotated Anodyne CN(C)CCCOc1ccccc1CC(=O)N1C[C@@H]2[C@H](C1)C(=O)CSC2(c1ccccc1)c1ccccc1 ZINC000029333703 KJ Annotated Anodyne CN(C)CCCOc1ccccc1CC(=O)N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000029333709 KJ Annotated Anodyne CN(C)CCCOc1ccccc1CC(=O)N1C[C@@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000029333714 KJ Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)NCCC(C)C)nnc12 ZINC000029336278 KJ Annotated Anodyne N#Cc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1 ZINC000029336774 KJ Annotated Mild O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccc(O)c(O)c1)Nc1ccccc1 ZINC000029337211 KJ Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3csc(N)n3)nc2c1 ZINC000029338320 KJ Annotated Anodyne CCCCO[C@]1(C)CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]21C(=O)N4C ZINC000029339023 KJ Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-n3cccc3)nc2c1 ZINC000029340084 KJ Annotated Anodyne COc1cccc(CN2CCC[C@@H]2C/N=C(\S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O ZINC000029340198 KJ Annotated Mild CC1(C)Oc2ccc3c(=O)ccoc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000029343519 KJ Annotated Anodyne N#Cc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000029345281 KJ Annotated Mild O=c1[nH]c2ccc(C(F)(F)F)cc2c(Cc2cc(Cl)ccc2O)c1NS(=O)(=O)C(F)(F)F ZINC000029345597 KJ Annotated Anodyne O=c1[nH]c2cc(C(F)(F)F)ccc2c(Cc2cc(Cl)ccc2O)c1NS(=O)(=O)C(F)(F)F ZINC000029345601 KJ Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-n3cccc3)nc2c1 ZINC000029388433 KJ Annotated Anodyne Cc1cn([C@@H]2O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2F)c(=O)nc1-n1cncn1 ZINC000029388579 KJ Annotated Anodyne Cc1cn([C@H]2O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2F)c(=O)nc1-n1cncn1 ZINC000029388582 KJ Annotated Anodyne Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2F)c(=O)nc1-n1cncn1 ZINC000029388585 KJ Annotated Anodyne Cc1cn([C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2F)c(=O)nc1-n1cncn1 ZINC000029388588 KJ Annotated Anodyne CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389543 KJ Annotated Anodyne Nc1nccc2ccc(OC[C@H](Cc3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc12 ZINC000029393520 KJ Annotated Anodyne c1ccn(CCNCCCCCCNCCSSCCNCCCCCCNCCn2cccc2)c1 ZINC000029395380 KJ Annotated Reactive O=[N+]([O-])c1cc(O)c(O)cc1CNCCCCCCNCCSSCCNCCCCCCNCc1cc(O)c(O)cc1[N+](=O)[O-] ZINC000029396957 KJ Annotated Reactive Cc1cn2c(nc1=O)O[C@H]1[C@H](OC(=S)n3ccnc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]12 ZINC000029397183 KJ Annotated Anodyne O=[N+]([O-])c1c(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(O)c(O)c2[N+](=O)[O-])ccc(O)c1O ZINC000029397691 KJ Annotated Reactive CCC(=O)N1C(=O)[C@H](CCCCC(=N)N)[C@H]2c3cc(-c4cccc(C(=O)N(CC)CC)c4)ccc3C[C@@H]21 ZINC000029398670 KJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](C3)N(C(=O)OC)C(=O)[C@@H]2CCCCC(=N)N)c1 ZINC000029398719 KJ Annotated Anodyne CCNC(=O)N1C(=O)[C@H](CCCCC(=N)N)[C@H]2c3ccc(-c4cccc(C(=O)N(CC)CC)c4)cc3C[C@@H]21 ZINC000029400864 KJ Annotated Anodyne CCNC(=O)N1C(=O)[C@H](CCCCC(=N)N)[C@H]2c3cc(-c4cccc(C(=O)N(CC)CC)c4)ccc3C[C@@H]21 ZINC000029402600 KJ Annotated Anodyne Nc1nccc2ccc(OC[C@H](c3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc12 ZINC000029403132 KJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@H]2[C@H]3[C@@H](CCCCC(=N)N)C(=O)N2C(=O)OC)c1 ZINC000029403388 KJ Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc(Br)c(Cl)[n+](C)c2)n2c1CCC2 ZINC000029404286 KJ Annotated Anodyne CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 ZINC000029413792 KJ Annotated Anodyne COc1ccccc1C(=O)/C(Cc1cc(OC)c(OC)c(OC)c1)=C(\C(=O)O)c1ccc2nsnc2c1 ZINC000029468756 KJ Annotated Mild COc1ccc(C[n+]2ccc3c4c(ccn3Cc3cc(OC)c(OC)c(OC)c3)cc(OC)c(OC)c42)cc1O ZINC000029479331 KJ Annotated Anodyne NC(=O)N1C(=O)/C(=C(/OCOC(=O)COCc2ccccc2)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029481119 KJ Annotated Anodyne C=C(C(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccc(OCC(=O)O)cc2)c2ccccc21)c1ccccc1OC ZINC000029481581 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)C(=O)C(=O)c2ccccc2-3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000029483725 KJ Annotated Clean N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1cccnc1)NCc1cncn1C2 ZINC000029484244 KJ Annotated Mild CSc1ccc(-c2cc3ncn([C@H](C)[C@](O)(Cn4cncn4)c4ccc(F)cc4F)c(=O)c3s2)cc1 ZINC000029486216 KJ Annotated Anodyne N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cncn1C2 ZINC000029487409 KJ Annotated Mild COc1ccc(C(=O)Oc2c(OC)c(OC)cc3c2C(=O)[C@]2(OC)C=C[C@H]3N(c3ccccc3)O2)cc1 ZINC000029489165 KJ Annotated Anodyne COc1ccc(Br)cc1C(O)(c1cc(Br)ccc1OC)[C@@H]1CC2CCN1CC2 ZINC000029489372 KJ Annotated Anodyne COc1ccc(Br)cc1C(O)(c1cc(Br)ccc1OC)[C@H]1CC2CCN1CC2 ZINC000029489375 KJ Annotated Anodyne Cc1nc(-c2ccc(C#N)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000029546464 KJ Annotated Mild CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccc(-c4cccs4)s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029547950 KJ Annotated Anodyne Cc1nc(-c2ccc(OCC(F)(F)C(F)F)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029548588 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1 ZINC000029551290 KJ Annotated Mild Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029551865 KJ Annotated Anodyne COc1ccc(OCCCNCCOc2ccc3c(c2)OCO3)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029552344 KJ Annotated Anodyne COc1ccc(OCCCNCCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029552348 KJ Annotated Anodyne CCOC(=O)c1cc([C@@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000029554312 KJ Annotated Anodyne CCOC(=O)c1cc([C@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000029554315 KJ Annotated Anodyne C[C@@H](n1cnc2cc(Sc3ccccc3)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029558345 KJ Annotated Anodyne COc1ccc(-c2c3n(c4c(=O)oc5cc(OS(=O)(=O)O)c(OC)cc5c24)CCc2cc(OC)c(OC)cc2-3)cc1O ZINC000029558776 KJ Annotated Anodyne CCOC(=O)c1cc([C@@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000029559765 KJ Annotated Bother CCOC(=O)c1cc([C@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000029559768 KJ Annotated Bother CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3csc4ccc(Cl)cc34)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029563979 KJ Annotated Anodyne CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(CBr)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000029566245 KJ Annotated Reactive COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000029568945 KJ Annotated Reactive Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)(Nc3ccccc3)OCCSC(=O)C(C)(C)C)O2)c(O)nc1=O ZINC000299804648 KJ Annotated Clean Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(Nc3ccccc3)OCCSC(=O)C(C)(C)C)O2)c(O)nc1=O ZINC000299804649 KJ Annotated Clean C[C@@H]1CC(C)(C)N[C@H](C[C@H](O[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)c2ccccc2)O1 ZINC000299805085 KJ Annotated Reactive C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000299805134 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000299805135 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000299805136 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000299805137 KJ Annotated Anodyne COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-] ZINC000299805724 KJ Annotated Reactive COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@@H](n2cc(C)c(O)nc2=O)C[C@H]1N=[N+]=[N-] ZINC000299805725 KJ Annotated Reactive COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@H]1N=[N+]=[N-] ZINC000299805726 KJ Annotated Reactive O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCCC[C@H]3CCl)ccc(NCCN3CCCC[C@H]3CCl)c21 ZINC000299806069 KJ Annotated Reactive Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCOC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]13)C2(C)C ZINC000299806078 KJ Annotated Clean CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806098 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806099 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299806324 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299806325 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299806326 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299806327 KJ Annotated Anodyne COC1=NC2=CC(=O)c3c(c(O)c(C)c4c3C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=CC=C1C)O4)C2=O ZINC000299806350 KJ Annotated Mild COC1=NC2=CC(=O)c3c(c(O)c(C)c4c3C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)C=CC=C1C)O4)C2=O ZINC000299806351 KJ Annotated Mild COC1=NC2=CC(=O)c3c(c(O)c(C)c4c3C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC=C1C)O4)C2=O ZINC000299806352 KJ Annotated Mild COC1=NC2=CC(=O)c3c(c(O)c(C)c4c3C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C1C)O4)C2=O ZINC000299806353 KJ Annotated Mild C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OC(=O)COC(=O)CCC(=O)O)c1ccc(F)cc1F ZINC000299806685 KJ Annotated Mild O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000299806829 KJ Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000299806830 KJ Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000299806831 KJ Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299807135 KJ Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299807136 KJ Annotated Anodyne C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OP(=O)(O)O)c1ccc(F)cc1F ZINC000299808044 KJ Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299808417 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299808418 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299808419 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299808421 KJ Annotated Anodyne CC[C@@]12C[N@+]3([O-])Cc4c([nH]c5ccccc45)[C@@](OC(C)=O)(c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C[C@@H]1O2)C3 ZINC000299808522 KJ Annotated Bother CC[C@@]12C[N@@+]3([O-])Cc4c([nH]c5ccccc45)[C@@](OC(C)=O)(c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C[C@@H]1O2)C3 ZINC000299808523 KJ Annotated Bother CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(OCCc4ccccn4)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000299808634 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(CN3CCCCCC3)cc2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299808742 KJ Annotated Mild C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@@H]3C4=CC[C@@H]5[C@@H](C)[C@]6(OC[C@]45C(=O)C[C@]3(O)[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O ZINC000299808896 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)[C@H]1[C@H](/C=C/C[C@@H]2OC(=O)[C@H](C)[C@@H](O)[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C ZINC000299809054 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)[C@H]1[C@H](/C=C/C[C@@H]2OC(=O)[C@H](C)[C@@H](O)[C@@H]2C)[C@H](C)[C@@H](O)[C@H]1C ZINC000299809055 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@H](C)[C@H](O)[C@H](C)/C=C(\C)[C@@H]1[C@H](C)[C@H](O)[C@@H](C)[C@@H]1/C=C/C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000299809056 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CCOc2ccccc2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299809173 KJ Annotated Mild C#C[C@H](O)/C=C/[C@H](O)C/C=C/C[C@H](O)C#C[C@H](O)C#C[C@H](O)CCC/C=C\CCCCCCCC[C@H](O)C(=O)CCCCCCCCC[C@@H](O)C[C@H](O)C#CC(=O)O ZINC000299809306 KJ Annotated Mild C#C[C@H](O)/C=C/[C@H](O)C/C=C/C[C@H](O)C#C[C@H](O)C#C[C@H](O)CCC/C=C\CCCCCCCC[C@H](O)C(=O)CCCCCCCCC[C@H](O)C[C@@H](O)C#CC(=O)O ZINC000299809308 KJ Annotated Mild C#C[C@H](O)/C=C/[C@H](O)C/C=C/C[C@H](O)C#C[C@H](O)C#C[C@H](O)CCC/C=C\CCCCCCCC[C@H](O)C(=O)CCCCCCCCC[C@@H](O)C[C@@H](O)C#CC(=O)O ZINC000299809311 KJ Annotated Mild COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299809541 KJ Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299809544 KJ Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299809546 KJ Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@H](C)[C@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299809549 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NS(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299809990 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NS(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299809991 KJ Annotated Anodyne CCCCCC(=O)O[C@@H]1[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](C)[C@@H](OC)[C@H]1O ZINC000299810152 KJ Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810386 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810387 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000299810400 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000299810401 KJ Annotated Anodyne C[C@@H]1O[C@H](O[C@H]2C[C@](O)(COC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@@H]1OCc1ccccc1 ZINC000299810622 KJ Annotated Clean C[C@@H]1O[C@H](O[C@H]2C[C@](O)(COC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@H]1OCc1ccccc1 ZINC000299810623 KJ Annotated Clean C[C@@H]1O[C@H](O[C@H]2C[C@](O)(COC(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@H]1OCc1ccccc1 ZINC000299810624 KJ Annotated Clean CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@H]1c1ccccc1 ZINC000299810684 KJ Annotated Bother COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=NNC(=O)OC(C)(C)C)CC(C)C)oc12 ZINC000299810692 KJ Annotated Reactive CN1CCC[C@H](C(NC[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCN(C)C2)C1 ZINC000299810836 KJ Annotated Anodyne CN1CCC[C@H]([C@@H](NC[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@@H]2CCCN(C)C2)C1 ZINC000299810837 KJ Annotated Anodyne CN1CCC[C@H]([C@@H](NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@@H]2CCCN(C)C2)C1 ZINC000299810838 KJ Annotated Anodyne CN1CCC[C@H](C(NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCN(C)C2)C1 ZINC000299810839 KJ Annotated Anodyne C[C@@]12C[C@@]34C[C@H]1C[C@@H](O2)[C@H]3[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C=C4c1ccccc1 ZINC000299811337 KJ Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C(c2ccccc2)[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000299811338 KJ Annotated Mild C[C@@]12C[C@@]34C[C@H]1C[C@@H](O2)[C@@H]3[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C=C4c1ccccc1 ZINC000299811339 KJ Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C(c2ccccc2)[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@@H]13 ZINC000299811340 KJ Annotated Mild CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000299811557 KJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000299811558 KJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000299811559 KJ Annotated Anodyne CCCCCCCCCCCCCCCCO[P@](=O)(OCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-] ZINC000299811607 KJ Annotated Mild CCCCCCCCCCCCCCCCO[P@](=O)(OCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@H]1N=[N+]=[N-] ZINC000299811608 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)C=C[C@@H]3O[C@]34CO[C@@H]3[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299811873 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)C=C[C@@H]3O[C@]34CO[C@H]3[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299811874 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(C(=O)c3ccccc3)cc2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299811889 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299811898 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299811899 KJ Annotated Anodyne C=C(Cl)CN1C[C@H](OC(C)=O)[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](C)C1 ZINC000299811905 KJ Annotated Mild COC(=O)C[C@H]1[C@]2(C)[C@]34O[C@]5(C)O[C@@]3([C@@H]3/C(=C(/OC)C(C)C)C(=O)O[C@H](c6ccoc6)[C@@]3(C)[C@H](OC(=O)C(C)C)[C@@H]4OC)[C@@H](OC)[C@]3(OC)[C@H](OC(C)=O)[C@]1(C)C[C@@]23O5 ZINC000299812607 KJ Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)[C@]34O[C@]5(C)O[C@@]3([C@@H]3/C(=C(/OC)C(C)C)C(=O)O[C@H](c6ccoc6)[C@@]3(C)[C@H](OC(=O)C(C)C)[C@@H]4OC)[C@H](OC)[C@]3(OC)[C@H](OC(C)=O)[C@]1(C)C[C@@]23O5 ZINC000299812608 KJ Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)[C@]34O[C@]5(C)O[C@@]3([C@@H]3/C(=C(/OC)C(C)C)C(=O)O[C@H](c6ccoc6)[C@@]3(C)[C@H](OC(=O)C(C)C)[C@@H]4OC)[C@@H](OC)[C@]3(OC)[C@@H](OC(C)=O)[C@]1(C)C[C@@]23O5 ZINC000299812609 KJ Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)[C@]34O[C@]5(C)O[C@@]3([C@@H]3/C(=C(/OC)C(C)C)C(=O)O[C@H](c6ccoc6)[C@@]3(C)[C@H](OC(=O)C(C)C)[C@@H]4OC)[C@H](OC)[C@]3(OC)[C@@H](OC(C)=O)[C@]1(C)C[C@@]23O5 ZINC000299812610 KJ Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@@](=O)(N[C@H](C)C(=O)OCc3cccc4ccccc34)Oc3ccccc3)O2)c(=O)nc1O ZINC000299812796 KJ Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@](=O)(N[C@H](C)C(=O)OCc3cccc4ccccc34)Oc3ccccc3)O2)c(=O)nc1O ZINC000299812797 KJ Annotated Anodyne CC(=O)Nc1ccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@H](CC[C@@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N23)cc1 ZINC000299812859 KJ Annotated Anodyne CC(=O)Nc1ccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@H](CC[C@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N23)cc1 ZINC000299812860 KJ Annotated Anodyne CN1CCN(CCC(=O)N[C@H]2C[C@@]3(N4CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299812935 KJ Annotated Anodyne CN1CCN(CCC(=O)N[C@@H]2C[C@@]3(N4CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299812936 KJ Annotated Anodyne COCC#Cc1ccc([C@@H]2[C@@H](C)CC[C@@H]3C(=O)N4[C@H](c5ccc(C#CCOC)cc5)[C@H](C)CC[C@@H]4C(=O)N23)cc1 ZINC000299813067 KJ Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@H](CC[C@H](C)[C@@H]4c4ccc(C#CCOC)cc4)C(=O)N23)cc1 ZINC000299813068 KJ Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@H](CC[C@@H](C)[C@@H]4c4ccc(C#CCOC)cc4)C(=O)N23)cc1 ZINC000299813069 KJ Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@H](c5ccc(C#CCOC)cc5)[C@H](C)CC[C@@H]4C(=O)N23)cc1 ZINC000299813070 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1CCN(C(=O)OCC)CC1)OC)[C@@H]3OC ZINC000299813563 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1C[C@@H]1C)OC)[C@@H]3OC ZINC000299813579 KJ Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@H](C)CN3CCCc4nc(C)c(C)cc43)[C@H]2O)c1 ZINC000299813697 KJ Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@@H](C)CN3CCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000299813698 KJ Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@@H](C)CN3CCCc4nc(C)c(C)cc43)[C@H]2O)c1 ZINC000299813699 KJ Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@H](C)CN3CCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000299813700 KJ Annotated Mild CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000299813948 KJ Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1 ZINC000299814100 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@H](C)O1 ZINC000299814101 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H](C)O1 ZINC000299814102 KJ Annotated Clean CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000299814347 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000299814348 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000299814349 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000299814350 KJ Annotated Mild CC[C@]12C=CCN3CC[C@]4(c5cc([C@]6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000299814364 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(c5cc([C@]6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000299814365 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(c5cc([C@]6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC000299814366 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(c5cc([C@]6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32 ZINC000299814367 KJ Annotated Anodyne O=C(OC[C@@H]1O[C@@H]2O[C@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@H]2[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000299814486 KJ Annotated Bother O=C(OC[C@@H]1O[C@@H]2O[C@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@H]2[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000299814487 KJ Annotated Bother O=C(OC[C@@H]1O[C@@H]2O[C@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@@H]2[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000299814488 KJ Annotated Bother COc1ccc([C@@H]2C=C(c3ccc(C)cc3)N(c3ccc(OC)cc3[N+](=O)[O-])[C@@H]3C(=O)OC(=O)[C@H]32)c(OC)c1 ZINC000299814710 KJ Annotated Reactive COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1 ZINC000299814931 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@H](C)O1 ZINC000299814932 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H](C)O1 ZINC000299814933 KJ Annotated Clean CC(=O)Oc1ccc(/C=C/C(=O)OC[C@H]2O[C@]3(COC(C)(C)O[C@@H]4[C@@H](O)[C@@H]5OC(C)(C)OC[C@H]5O[C@@H]4O3)[C@@H](OC(=O)/C=C/c3ccc(OC(C)=O)cc3)[C@@H]2OC(=O)/C=C/c2ccc(OC(C)=O)cc2)cc1 ZINC000299815220 KJ Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2CN(C(=O)OCc3ccccc3)[C@H]1[C@@H]1OC(C)(C)O[C@H]21 ZINC000299815223 KJ Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2CN(C(=O)OCc3ccccc3)[C@H]1[C@H]1OC(C)(C)O[C@@H]21 ZINC000299815224 KJ Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2CN(C(=O)OCc3ccccc3)[C@H]1[C@H]1OC(C)(C)O[C@H]21 ZINC000299815225 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299815389 KJ Annotated Anodyne CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299815391 KJ Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299815393 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)C=C[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(=O)c2ccccc2)[C@@H]1OCC(C)C ZINC000299815800 KJ Annotated Anodyne CC1=CC[C@H](O)C=C[C@H](C)[C@H](O)[C@H](C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)C=CC=CC=C[C@H](C)[C@H](O)CC1=O)C3=O ZINC000299816014 KJ Annotated Mild CC1=CC[C@H](O)C=C[C@H](C)[C@H](O)[C@H](C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)C=CC=CC=C[C@@H](C)[C@H](O)CC1=O)C3=O ZINC000299816015 KJ Annotated Mild CC1=CC[C@H](O)C=C[C@H](C)[C@H](O)[C@H](C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)C=CC=CC=C[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000299816016 KJ Annotated Mild CC1=CC[C@H](O)C=C[C@H](C)[C@H](O)[C@H](C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)C=CC=CC=C[C@@H](C)[C@@H](O)CC1=O)C3=O ZINC000299816017 KJ Annotated Mild COC1=CC(C)=C[C@H](C)[C@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](O)[C@@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299816371 KJ Annotated Anodyne COC1=CC(C)=C[C@H](C)[C@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](O)[C@@H](C)[C@H](C(C)C)O2)OC1=O ZINC000299816372 KJ Annotated Anodyne COC1=CC(C)=C[C@H](C)[C@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](O)[C@H](C)[C@H](C(C)C)O2)OC1=O ZINC000299816373 KJ Annotated Anodyne COC1=CC(C)=C[C@H](C)[C@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299816374 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NN2CCN(C3CCCC3)CC2)C(=C4O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818016 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CC[N+]([O-])(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299818031 KJ Annotated Mild C/C1=C\[C@@H](O[C@@H]2CCCCO2)C(=O)/C=C/C=C/c2csc(n2)[C@@H](C)N2C(=O)C[C@@]([C@@](C)(O)C(=O)SCc3oc(=O)oc3C)(CC1)[S@]2=O ZINC000299818087 KJ Annotated Mild C/C1=C\[C@@H](O[C@@H]2CCCCO2)C(=O)/C=C/C=C/c2csc(n2)[C@@H](C)N2C(=O)C[C@@]([C@@](C)(O)C(=O)SCc3oc(=O)oc3C)(CC1)[S@@]2=O ZINC000299818096 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@H]2O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299818228 KJ Annotated Mild COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299818294 KJ Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299818295 KJ Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299818297 KJ Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299818299 KJ Annotated Reactive COC(=O)c1ccc[n+](-c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)c1 ZINC000299818356 KJ Annotated Anodyne COC(=O)c1ccc[n+](-c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)c1 ZINC000299818359 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299818361 KJ Annotated Mild COC(=O)c1ccc[n+](-c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)c1 ZINC000299818362 KJ Annotated Anodyne COC(=O)c1ccc[n+](-c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)c1 ZINC000299818366 KJ Annotated Anodyne COc1ccc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C/O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)cc1 ZINC000299818399 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818436 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818439 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818444 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818447 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)S)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818515 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)S)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818517 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)S)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818519 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)S)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818521 KJ Annotated Mild O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1C[C@@H](c2c[nH]c3ccc(F)cc23)CN1C(=O)OCc1cnc2ccccc2c1 ZINC000299818555 KJ Annotated Anodyne C[C@@H]1C[C@@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)C(=O)[C@@]5(CC[C@@]43C)[C@@H](O)C[C@H]3C(C)(C)C(=O)CC[C@@]35C)O2)OC1=O ZINC000299818609 KJ Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)C(=O)[C@@]5(CC[C@@]43C)[C@@H](O)C[C@H]3C(C)(C)C(=O)CC[C@@]35C)O2)OC1=O ZINC000299818614 KJ Annotated Anodyne C=C1CCC(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000299818625 KJ Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818630 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818634 KJ Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NS(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818637 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818639 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818643 KJ Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NS(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818644 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818649 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818656 KJ Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818662 KJ Annotated Reactive CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H]1C)C4=O ZINC000299818673 KJ Annotated Mild O=c1nc(-n2cncn2)ccn1[C@H]1S[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000299819206 KJ Annotated Anodyne 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-c3ccccc3F)C[C@]21C ZINC000299819243 KJ Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3cccc(NC(C)=O)c3)c3c(c2OC)OCO3)CCN1C ZINC000299819308 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819384 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819387 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819389 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819391 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CO)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819433 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CO)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819434 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CO)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819435 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CO)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819436 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](O)/C(C)=C\[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819445 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@H](O)/C(C)=C\[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819446 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@H](N3CCOCC3)/C(C)=C\[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819494 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N3CCOCC3)/C(C)=C\[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819497 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299820014 KJ 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-c3ccccc3C)C[C@]21C ZINC000299820074 KJ Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@H](OC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000299820740 KJ Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000299820748 KJ Annotated Anodyne CN[C@H](C(=O)O[C@@H]1CC[C@@](C)(/C=C/c2ccc3c(c2O)[C@@](O)(c2ccccc2)[C@H](OC)C(=O)N3)C[C@@H]1C)C(C)C ZINC000299820797 KJ Annotated Anodyne CN[C@H](C(=O)O[C@@H]1CC[C@@](C)(/C=C/c2ccc3c(c2O)[C@@](O)(c2ccccc2)[C@H](OC)C(=O)N3)C[C@H]1C)C(C)C ZINC000299820804 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C)C4=O ZINC000299820848 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(CN3CCCCCC3)cc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299821196 KJ Annotated Mild CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3cnc4ccccc4n3)C2)C1=O ZINC000299821202 KJ Annotated Anodyne COC(=O)[C@H]1C(c2nc3ccc(OC)cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299821274 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5ccccc5)C3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299821833 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(CCN(Cc5ccccc5)C3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299821839 KJ Annotated Mild CCCCCCCCCCC/C=C(\C)C(=O)C(C)(C)C(=O)OC[C@@H](O)COCC[C@@H](C(=O)O)[N+](C)(C)C ZINC000299822050 KJ 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-c3ccccc3OC)C[C@]21C ZINC000299822123 KJ Annotated Anodyne 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-c3cccc(OC)c3)C[C@]21C ZINC000299822181 KJ Annotated Anodyne COC(=O)[C@H]1C(c2nc3ccc(F)cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299822252 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299822542 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299822552 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299822561 KJ Annotated Anodyne O=C1C=C(N(Cc2cn(C3=CC(=O)c4ccccc4C3=O)nn2)c2ccc(Cl)cc2)C(=O)c2ccccc21 ZINC000299822804 KJ Annotated Mild COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)c2cn(Cc3ccc(F)cc3)nn2)c1O ZINC000299823089 KJ Annotated Anodyne COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C)c3oc2=O)cc(OC)c1OC ZINC000299823484 KJ Annotated Reactive COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C)c3oc2=O)cc(OC)c1OC ZINC000299823486 KJ Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823515 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823518 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823521 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823522 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823571 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823579 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823582 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823586 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000299823622 KJ Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3/C(C)=C/C[C@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000299823627 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823633 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823639 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823644 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823649 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C ZINC000299823682 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000299823687 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H]1C ZINC000299823691 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H]1C ZINC000299823696 KJ Annotated Anodyne 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-c3ccc(C)cc3)C[C@]21C ZINC000299823792 KJ Annotated Anodyne Cc1oc2nc1-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)C(=O)N[C@H](CS)c1nc-2c(C)o1 ZINC000299823821 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCC#N)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823892 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCC#N)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823897 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCC#N)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823900 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCC#N)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823905 KJ Annotated Mild CCCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299823942 KJ Annotated Anodyne CCCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299823947 KJ Annotated Anodyne CCCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299823951 KJ Annotated Anodyne CCCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299823958 KJ Annotated Anodyne COc1ccccc1-c1c2c(c(OC)c3c1OCO3)[C@H]([C@H]1OC(=O)c3c1ccc(OC)c3OC)N(C)CC2 ZINC000299824074 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C4=O ZINC000299824177 KJ Annotated Mild CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCCCCN1C[C@H](Cc2ccc(O)cc2)NC1=S ZINC000299824286 KJ Annotated Anodyne CNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299824398 KJ Annotated Anodyne COC(=O)[C@H]1C(c2nc3ccccc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299824400 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](OCOCCN3CC3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299824470 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCN3CC3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299824482 KJ Annotated Anodyne CCOC(=O)CNC(=O)c1ccc(NC(=O)CSc2ncncc2-c2cccc3ccccc23)c(Cl)c1 ZINC000299824492 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](OCOCCN3CC3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299824494 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299824644 KJ Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)c2cn(Cc3cc(OC)c(OC)c(OC)c3)nn2)c1O ZINC000299824645 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299824656 KJ Annotated Anodyne COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(NC(=O)c2cn(Cc3cc(OC)c(OC)c(OC)c3)nn2)c1OC ZINC000299824844 KJ Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3c(Cl)cccc3Cl)c(O)cc(O)c12 ZINC000299824946 KJ Annotated Clean COc1cc(-c2cc3c4c(I)cccc4n(C(C)=O)c3nn2)cc(OC)c1OC ZINC000299824951 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825054 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825057 KJ Annotated Anodyne CC(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000299825311 KJ Annotated Clean CC(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000299825312 KJ Annotated Clean COc1cc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc(OC)c1OC ZINC000299825318 KJ Annotated Clean COc1cc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc(OC)c1OC ZINC000299825319 KJ Annotated Clean COc1ccc(OC[C@@H](OS(C)(=O)=O)[C@@H](Oc2ccc(OC)cc2)[C@H](Oc2ccc(OC)cc2)c2cnc(N(C)C)nc2)cc1 ZINC000299825324 KJ Annotated Mild CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CC[C@H](F)C4)cc3)nc2Oc2c(F)cccc21 ZINC000299825370 KJ Annotated Anodyne CNC(=O)c1ccc(CCOc2c(C(=O)Cc3c(Cl)cncc3Cl)ccc(OC)c2OC)cc1 ZINC000299825455 KJ Annotated Anodyne CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21 ZINC000299825482 KJ Annotated Anodyne CCCCCCCCCCCC(=O)O[C@@H]1[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(=O)[C@@H](C)CCc5ccncc5C(=O)OC[C@]2(C)O[C@]13[C@@]4(C)O ZINC000299825585 KJ Annotated Mild CCCCCCCCCCCC(=O)O[C@@H]1[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(=O)[C@H](C)CCc5ccncc5C(=O)OC[C@]2(C)O[C@]13[C@@]4(C)O ZINC000299825595 KJ Annotated Mild O=C1C=C(N(Cc2cn(C3=CC(=O)c4ccccc4C3=O)nn2)c2ccc(Br)cc2)C(=O)c2ccccc21 ZINC000299825868 KJ Annotated Mild CCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299825940 KJ Annotated Anodyne CCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299825946 KJ Annotated Anodyne CCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299825949 KJ Annotated Anodyne CCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299825953 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299826088 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299826094 KJ Annotated Anodyne 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-c3cccc(C)c3)C[C@]21C ZINC000299826100 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299826101 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299826106 KJ Annotated Anodyne COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1OC ZINC000299826459 KJ Annotated Clean COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1OC ZINC000299826464 KJ Annotated Clean COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1 ZINC000299826475 KJ Annotated Anodyne COc1cccc(/C=C/C(=O)c2cccc(-n3cc(COc4ccc5ccc(=O)oc5c4)nn3)c2)c1OC ZINC000299826689 KJ Annotated Mild COc1cc(-c2c3c4cc(OC)c(O)c(CN5CCOCC5)c4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O ZINC000299826738 KJ Annotated Clean COc1ccc(OC[C@@H](O)[C@@H](Oc2ccc(OC)cc2)[C@H](Oc2ccc(OC)cc2)c2cnc(N(C)C)nc2)cc1 ZINC000299826854 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)c2cccc(-n3cc(COc4ccc5ccc(=O)oc5c4)nn3)c2)c(OC)c1OC ZINC000299827439 KJ Annotated Mild COc1ccc(/C=C/C(=O)c2cccc(-n3cc(COc4cc(=O)oc5ccccc45)nn3)c2)c(OC)c1OC ZINC000299827498 KJ Annotated Mild COc1cccc(/C=C/C(=O)c2cccc(-n3cc(COc4cc(=O)oc5ccccc45)nn3)c2)c1OC ZINC000299827649 KJ Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000299827811 KJ Annotated Reactive CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNCCN5CCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299827825 KJ Annotated Clean CCN(Cc1cc(C(=O)NCCc2ccccc2)ccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(=O)C1CC1 ZINC000299827909 KJ Annotated Anodyne 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-c3ccsc3)C[C@]21C ZINC000299827946 KJ Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCS[C@@H](CCO)C(=O)O)c1 ZINC000299828111 KJ Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCS[C@H](CCO)C(=O)O)c1 ZINC000299828115 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CCOc2ccccc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299828144 KJ Annotated Mild COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(CN5CCOCC5)c(O)c(OC)cc4c23)ccc1O ZINC000299828213 KJ Annotated Clean COc1ccc(/C=C/C(=O)c2ccc(-n3cc(COc4ccc5ccc(=O)oc5c4)nn3)cc2)c(OC)c1OC ZINC000299828231 KJ Annotated Mild O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCS[C@@H](CCO)C(=O)O)c1 ZINC000299828235 KJ Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCS[C@H](CCO)C(=O)O)c1 ZINC000299828236 KJ Annotated Anodyne COc1ccc(C(=NNC(=O)NNC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(OC)cc2)cc1 ZINC000299828275 KJ Annotated Reactive COc1ccc(C(=NNC(=O)NNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(OC)cc2)cc1 ZINC000299828281 KJ Annotated Reactive COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)[C@]2(OC)c1ccc2cc3c(c(O)c2c1O)C(=O)C[C@@](C)(O)C3 ZINC000299828742 KJ Annotated Mild COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)[C@@]2(OC)c1ccc2cc3c(c(O)c2c1O)C(=O)C[C@@](C)(O)C3 ZINC000299828743 KJ Annotated Mild O=C1N=C(N2CCN([C@@H](c3ccccc3)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299828865 KJ Annotated Clean O=C1N=C(N2CCN([C@H](c3ccccc3)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299828868 KJ Annotated Clean COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C ZINC000299828874 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNCc5cn(CN6C(=O)c7ccccc7C6=O)nn5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299829011 KJ Annotated Clean CN(C)CCOc1ccc(C(=O)NCc2ccnc(C#N)n2)cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1 ZINC000299829031 KJ Annotated Mild CC(C)(C(=O)NCc1ccccc1)[C@H]1C(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3F)c2NC1=O ZINC000299829292 KJ Annotated Anodyne CC(C)(C(=O)NCc1ccccc1)[C@@H]1C(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3F)c2NC1=O ZINC000299829295 KJ Annotated Anodyne O=C1N=C(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299829565 KJ Annotated Clean O=C1N=C(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299829569 KJ Annotated Clean COc1cc2nc(Sc3nnc(N)s3)n(-c3ccc(Oc4ccccc4)cc3)c(=O)c2cc1OC ZINC000299829576 KJ Annotated Anodyne Cc1c(/C(=C/C=C(\C#N)C(N)=O)N(C)C)sc2sc(/C(=C/C=C(\C#N)C(N)=O)N(C)C)c(-c3ccccc3)c12 ZINC000299829587 KJ Annotated Reactive O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1C[C@@H](c2cccc(Cl)c2)CN1C(=O)OCc1cnc2ccccc2c1 ZINC000299829745 KJ Annotated Anodyne COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@@H](CC(=O)CC(C)(C)O)c1c2c(cc(OC)c1-3)OCO2 ZINC000299829885 KJ Annotated Clean COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@H](CC(=O)CC(C)(C)O)c1c2c(cc(OC)c1-3)OCO2 ZINC000299829889 KJ Annotated Clean C[C@@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2c([N+](=O)[O-])cnc2O1 ZINC000299830149 KJ Annotated Clean CCCCCn1c(-c2ccc(OCCN(C)c3ccccn3)cc2)nc2c1c(=O)n(Cc1ccccc1C#N)c(=O)n2C ZINC000299830153 KJ Annotated Mild COc1cc2occ(C(=O)OC(C)(C)C)c2cc1OCc1nc2ccc(OS(=O)(=O)O)cc2s1 ZINC000299830216 KJ Annotated Anodyne C=C1C[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000299830278 KJ Annotated Mild C=C1C[C@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000299830283 KJ 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)CI ZINC000299830825 KJ Annotated Reactive CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)N(C(C)=O)C2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299830858 KJ Annotated Mild CCCCN(CCCC)CCN1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 ZINC000299831354 KJ Annotated Clean CCNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299831611 KJ Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCc1cn(CC[C@H](C[C@H](O)C[C@@H]2CC=CC(=O)O2)OC)nn1 ZINC000299831809 KJ Annotated Anodyne COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000299831847 KJ Annotated Anodyne CC(C)[C@@]12CC[C@]3(C=O)CC[C@]4(C)C(=C13)[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C)c(=O)n12 ZINC000299831915 KJ Annotated Mild CC(C)[C@@]12CC[C@]3(C=O)CC[C@]4(C)C(=C13)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C)c(=O)n12 ZINC000299831919 KJ Annotated Mild COc1cc(Nc2nc3n(n2)[C@@H](C2CC2)CC(=O)N3Cc2cc(F)ccc2F)ccc1-n1cnc(C)c1 ZINC000299832037 KJ Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](C2CC2)CC(=O)N3Cc2cc(F)ccc2F)ccc1-n1cnc(C)c1 ZINC000299832041 KJ Annotated Anodyne CCN(CC)CCNc1nc(-c2ccc(NC(=O)N/N=C/c3ccc(O)c(O)c3)cc2)nc2ccsc12 ZINC000299832258 KJ Annotated Reactive 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)CBr ZINC000299832324 KJ Annotated Reactive COc1ccc(/C(=N/NC(=O)NNC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ccccc2)cc1 ZINC000299832909 KJ Annotated Reactive COc1ccc(/C(=N/NC(=O)NNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ccccc2)cc1 ZINC000299832912 KJ Annotated Reactive CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(OC)c1OCc1cn(CC(=O)Nc2nc3cc(F)ccc3s2)nn1 ZINC000299833087 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H]2C)[C@H](C)[C@H](O)[C@@H]1C)C4=O ZINC000299833130 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H]2C)[C@H](C)[C@H](O)[C@H]1C)C4=O ZINC000299833133 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@@H]2C)[C@H](C)[C@H](O)[C@H]1C)C4=O ZINC000299833136 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@H]2O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]2OC(C)(C)O[C@@H]([C@H](C)[C@H](O)[C@@H]1C)[C@@H]2C)C4=O ZINC000299833139 KJ Annotated Mild CC(C)(C(=O)NC(=O)C1CC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21 ZINC000299833230 KJ Annotated Anodyne O=C(Cn1cc(CO[C@@H](Cc2cn(CC(=O)c3ccccc3)nn2)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccccc1 ZINC000299833641 KJ Annotated Anodyne O=C(Cn1cc(CO[C@H](Cc2cn(CC(=O)c3ccccc3)nn2)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccccc1 ZINC000299833644 KJ Annotated Anodyne COc1cccc(/C=C/C(=O)c2ccc(-n3cc(COc4ccc5ccc(=O)oc5c4)nn3)cc2)c1OC ZINC000299834079 KJ Annotated Mild O=C(Cc1ccc(F)cc1)Nc1cc([C@H]2CN(C(=O)C[C@@H](O)Cc3ccc(Cl)cc3)C[C@@H]2CO)ccc1Cl ZINC000299834484 KJ Annotated Anodyne COc1ccc(COC[C@H](C)N2C[C@@H](C)[C@H](CN(C)S(=O)(=O)c3ccc(F)cc3)OCCCC[C@H](C)OCCC2=O)cc1 ZINC000299834551 KJ Annotated Anodyne COc1ccc(C(=O)NCCc2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000299834616 KJ Annotated Anodyne O=C1N=C(N2CCN([C@H](c3ccccc3F)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299834658 KJ Annotated Clean O=C1N=C(N2CCN([C@@H](c3ccccc3F)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299834662 KJ Annotated Clean COc1cccc(/C=C/c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3Br)s2)c1 ZINC000299834819 KJ Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3ccc(Cl)cc3Cl)c(O)cc(O)c12 ZINC000299835093 KJ Annotated Clean Cc1cc2ncn(C[C@H](O)COc3cc4oc(=O)cc(C)c4cc3OC[C@@H](O)Cn3cnc4cc(C)c(C)cc43)c2cc1C ZINC000299835392 KJ Annotated Anodyne Cc1cc2ncn(C[C@@H](O)COc3cc4oc(=O)cc(C)c4cc3OC[C@H](O)Cn3cnc4cc(C)c(C)cc43)c2cc1C ZINC000299835393 KJ Annotated Anodyne Cc1cc2ncn(C[C@H](O)COc3cc4c(C)cc(=O)oc4cc3OC[C@H](O)Cn3cnc4cc(C)c(C)cc43)c2cc1C ZINC000299835394 KJ Annotated Anodyne Cc1cc2ncn(C[C@H](O)COc3cc4oc(=O)cc(C)c4cc3OC[C@H](O)Cn3cnc4cc(C)c(C)cc43)c2cc1C ZINC000299835395 KJ Annotated Anodyne C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)c2)n1 ZINC000299835950 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(-n3cc(COc4cc(=O)oc5ccccc45)nn3)cc2)c(OC)c1OC ZINC000299835978 KJ Annotated Mild CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)N[C@@H](CCCNC(=N)N)C(N)=O ZINC000299836153 KJ Annotated Anodyne COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000299836396 KJ Annotated Clean COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000299836397 KJ Annotated Clean C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]2[C@@](C)(O)CC[C@]21O ZINC000299836582 KJ Annotated Mild C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]2[C@@](C)(O)CC[C@]21O ZINC000299836611 KJ Annotated Mild CO[C@@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](OC)CN7)cc6[nH]5)cc4)oc3c2)NC1 ZINC000299836816 KJ Annotated Anodyne COc1cc(C(=O)Nc2nnc(/C=C/c3cc(OC)c(OC)c(OC)c3Br)s2)cc(OC)c1OC ZINC000299836925 KJ Annotated Anodyne CC(=O)NN1C=CCN(Cc2cn(C[C@H](OCc3ccccc3)[C@@H](O)P(=O)(OCc3ccccc3)OCc3ccccc3)nn2)C1=O ZINC000299836966 KJ Annotated Anodyne CC(=O)NN1C=CCN(Cc2cn(C[C@H](OCc3ccccc3)[C@H](O)P(=O)(OCc3ccccc3)OCc3ccccc3)nn2)C1=O ZINC000299836967 KJ Annotated Anodyne Cc1cc(=O)oc2cc(OC[C@H](O)CSc3nc4ccccc4[nH]3)c(OC[C@@H](O)CSc3nc4ccccc4[nH]3)cc12 ZINC000299837660 KJ Annotated Anodyne Cc1cc(=O)oc2cc(OC[C@H](O)CSc3nc4ccccc4[nH]3)c(OC[C@H](O)CSc3nc4ccccc4[nH]3)cc12 ZINC000299837663 KJ Annotated Anodyne Cc1cc(=O)oc2cc(OC[C@@H](O)CSc3nc4ccccc4[nH]3)c(OC[C@H](O)CSc3nc4ccccc4[nH]3)cc12 ZINC000299837668 KJ Annotated Anodyne Cc1cc(=O)oc2cc(OC[C@@H](O)CSc3nc4ccccc4[nH]3)c(OC[C@@H](O)CSc3nc4ccccc4[nH]3)cc12 ZINC000299837673 KJ Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)OC3CCCCC3)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)OCOC(=O)OC5CCCCC5)c4)C3)[C@H](C)[C@H]12 ZINC000299837849 KJ Annotated Anodyne CCN(CC)C/C=C/C(=O)NC/C=C/c1cc(OCCc2ccc(F)cc2)cc(O)c1C(=O)OC(C)C ZINC000299837951 KJ Annotated Anodyne CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3cc(N4CC(C(=O)NC(C)(C)C)C4)c(Cl)cc3n2)c1 ZINC000299838283 KJ Annotated Anodyne COC(=O)c1c(Sc2c(O)cc(OC)c(C(=O)c3c(O)cc(C)cc3O)c2C(=O)OC)c(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O ZINC000299838324 KJ Annotated Anodyne O=C(c1ccccc1)n1c(=O)ccn(Cc2cn(C[C@H](OCc3ccccc3)[C@H](O)P(=O)(OCc3ccccc3)OCc3ccccc3)nn2)c1=O ZINC000299838686 KJ Annotated Anodyne O=C(c1ccccc1)n1c(=O)ccn(Cc2cn(C[C@H](OCc3ccccc3)[C@@H](O)P(=O)(OCc3ccccc3)OCc3ccccc3)nn2)c1=O ZINC000299838692 KJ Annotated Anodyne O=C(Nc1ccc(NC2=NC=N[C@H]3C=C(OCCCN4CCC(CO)CC4)C=C[C@@H]23)cc1)NC1CCCCC1 ZINC000299838955 KJ Annotated Anodyne O=C(Nc1ccc(NC2=NC=N[C@H]3C=C(OCCCN4CCC(CO)CC4)C=C[C@H]23)cc1)NC1CCCCC1 ZINC000299838958 KJ Annotated Anodyne O=C(Nc1ccc(NC2=NC=N[C@@H]3C=C(OCCCN4CCC(CO)CC4)C=C[C@@H]23)cc1)NC1CCCCC1 ZINC000299838961 KJ Annotated Anodyne O=C(Nc1ccc(NC2=NC=N[C@@H]3C=C(OCCCN4CCC(CO)CC4)C=C[C@H]23)cc1)NC1CCCCC1 ZINC000299838963 KJ Annotated Anodyne CC(C)Oc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23NC(=S)N(c2ccc(F)c(Cl)c2)C3=O)cc1 ZINC000299839126 KJ Annotated Anodyne CC(C)Oc1ccc([C@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23NC(=S)N(c2ccc(F)c(Cl)c2)C3=O)cc1 ZINC000299839130 KJ Annotated Anodyne O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1C[C@@H](c2ccc(Cl)cc2)CN1C(=O)OCc1cnc2ccccc2c1 ZINC000299839646 KJ Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(Br)cc1Br ZINC000299840215 KJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(CNS(=O)(=O)c4cccc(Cl)c4)ccc3n2)o1 ZINC000299840447 KJ Annotated Anodyne Cc1cccc(Nc2ccccc2C(=O)N[C@H](CC[S@](C)=O)C(=O)N[C@H](C)c2ccc(F)cc2)c1C ZINC000299840469 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(C(=O)OC(C)(C)C)C3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299840813 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299840814 KJ Annotated Mild CC(=O)O[C@H]1/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H]1O ZINC000299840823 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/[C@@H]3O[C@]34CO[C@H]3[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299841560 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/[C@@H]3O[C@]34CO[C@@H]3[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299841561 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@H](O[C@@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299841566 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299841567 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@H](O[C@@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299841568 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299841569 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841578 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841579 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@@H](C)C/C=C/N(CCCCc4ccccc4)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O ZINC000299842855 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cc(-c3ccccn3)no2)[C@@H]1C)C4=O ZINC000299842861 KJ Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(CCO)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843001 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(CCO)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843002 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(CCO)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843003 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(CCO)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843004 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@@H](O)[C@@H]1C ZINC000299843375 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299843378 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@@H](O)[C@@H]1C ZINC000299843381 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299843385 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843434 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843441 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843445 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843449 KJ Annotated Anodyne CO[C@@H]1/C=C/[C@H]2O[C@@]3(C)[C@H]4c5c(c(C)c(O)c6c5C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]5OC(C)(C)O[C@H]([C@H]5C)[C@H](C)[C@H](O)[C@H]1C)C6=O)O[C@]43O2 ZINC000299843461 KJ Annotated Mild CO[C@@H]1/C=C/[C@H]2O[C@@]3(C)[C@H]4c5c(c(C)c(O)c6c5C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]5OC(C)(C)O[C@@H]([C@H](C)[C@H](O)[C@@H]1C)[C@@H]5C)C6=O)O[C@]43O2 ZINC000299843464 KJ Annotated Mild CO[C@@H]1/C=C/[C@H]2O[C@@]3(C)[C@H]4c5c(c(C)c(O)c6c5C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]5OC(C)(C)O[C@H]([C@H]5C)[C@H](C)[C@H](O)[C@@H]1C)C6=O)O[C@]43O2 ZINC000299843466 KJ Annotated Mild CO[C@@H]1/C=C/[C@H]2O[C@@]3(C)[C@H]4c5c(c(C)c(O)c6c5C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]5OC(C)(C)O[C@H]([C@@H]5C)[C@H](C)[C@H](O)[C@H]1C)C6=O)O[C@]43O2 ZINC000299843469 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(C(=O)c3ccccc3)cc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299843812 KJ Annotated Mild CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C\[C@H](OC)[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](C(C)C)O2)OC1=O ZINC000299843950 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843960 KJ Annotated Clean CC[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3CO[C@@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843965 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843966 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299844003 KJ Annotated Clean CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](C(C)C)O2)OC1=O ZINC000299844014 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299844055 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299844057 KJ Annotated Clean CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299844086 KJ Annotated Anodyne C/C=C/Nc1c(C)c2c3c4c1C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299844103 KJ Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299844141 KJ Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299844142 KJ Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299844143 KJ Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299844144 KJ Annotated Clean C[C@H]1CC/C=C\C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@](C)(O)[C@]3(O2)O[B-]24O[C@@H](C(=O)O1)[C@@]1(O[C@@H](CC[C@]1(C)O)[C@H](C)C(=O)C[C@@H](O)CC/C=C/C=C\CC[C@H](C)OC(=O)[C@@H]3O2)O4 ZINC000299844164 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(\C)CC/C=C(\C)CC2)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000299844310 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(\C)CC/C=C(\C)CC2)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000299844311 KJ Annotated Anodyne CC1=C[C@H](C)[C@H](O)[C@H](C)/C=C\[C@H](O)C/C=C(/C)C(=O)C[C@@H](O)[C@@H](C)/C=C\C=C/C=C\C(=O)NC2=C(O)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000299844349 KJ Annotated Mild CC1=C[C@H](C)[C@H](O)[C@H](C)/C=C\[C@H](O)C/C=C(/C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C\C(=O)NC2=C(O)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000299844350 KJ Annotated Mild CC1=C[C@H](C)[C@H](O)[C@H](C)/C=C\[C@H](O)C/C=C(/C)C(=O)C[C@@H](O)[C@H](C)/C=C\C=C/C=C\C(=O)NC2=C(O)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000299844351 KJ Annotated Mild CC1=C[C@H](C)[C@H](O)[C@H](C)/C=C\[C@H](O)C/C=C(/C)C(=O)C[C@H](O)[C@H](C)/C=C\C=C/C=C\C(=O)NC2=C(O)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000299844352 KJ Annotated Mild CO/C1=C\C(C)=C\[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](O)[C@H](C)[C@H](C(C)C)O2)OC1=O ZINC000299844372 KJ Annotated Anodyne CO/C1=C\C(C)=C\[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299844373 KJ Annotated Anodyne CO/C1=C\C(C)=C\[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](O)[C@@H](C)[C@H](C(C)C)O2)OC1=O ZINC000299844374 KJ Annotated Anodyne CO/C1=C\C(C)=C\[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](O)[C@@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299844375 KJ Annotated Anodyne CO[C@@H]1C(O)=C2C(=O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@@H]1O ZINC000299844482 KJ Annotated Anodyne CO[C@@H]1C(O)=C2C(=O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@@]2(C)[C@H]1O ZINC000299844483 KJ Annotated Anodyne CO[C@@H]1C(O)=C2C(=O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@H]1O ZINC000299844484 KJ Annotated Anodyne CO[C@@H]1C(O)=C2C(=O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@@]2(C)[C@@H]1O ZINC000299844485 KJ Annotated Anodyne COCC(=O)O[C@H]1C[C@@H]2[C@@](OC(=O)c3cccc(Cl)c3)([C@H](O)C[C@H]3[C@]4(C)C[C@@H](OC(=O)COC)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)[C@@H]1OC(=O)COC ZINC000299844845 KJ Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299845053 KJ Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299845060 KJ Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299845068 KJ Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299845076 KJ Annotated Anodyne CN1CCN([C@]23C[C@H](NC(=O)CCN4CCCCC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000299845102 KJ Annotated Anodyne CCN(CC)CCC(=O)N[C@@H]1C[C@@]2(N3CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299845108 KJ Annotated Anodyne CCN(CC)CCC(=O)N[C@H]1C[C@@]2(N3CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299845109 KJ Annotated Anodyne C[C@@H](CCC(=O)NCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@H]4[C@H]3C[C@@H](O)[C@@H]21)[C@H]1CC[C@@H]2[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@@H]5[C@H]4C[C@@H](O)[C@@H]3[C@@H]21 ZINC000299845872 KJ Annotated Anodyne C[C@@H](CCC(=O)NCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@H]4[C@H]3C[C@@H](O)[C@@H]21)[C@H]1CC[C@@H]2[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@H]5[C@H]4C[C@@H](O)[C@@H]3[C@@H]21 ZINC000299845873 KJ Annotated Anodyne C[C@@H](CCC(=O)NCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@H]4[C@H]3C[C@@H](O)[C@@H]21)[C@H]1CC[C@@H]2[C@@H]3[C@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@@H]5[C@H]4C[C@@H](O)[C@@H]3[C@@H]21 ZINC000299845875 KJ Annotated Anodyne C[C@@H](CCC(=O)NCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@H]4[C@H]3C[C@@H](O)[C@@H]21)[C@H]1CC[C@@H]2[C@@H]3[C@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@H]5[C@H]4C[C@@H](O)[C@@H]3[C@@H]21 ZINC000299845877 KJ Annotated Anodyne CCOC(=O)C[C@@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)P(=O)(OCC)OCC ZINC000299845958 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccc(F)cc1 ZINC000299846371 KJ Annotated Anodyne S=C1NN[C@@]2(N1)[C@H]1CCC[C@H]2[C@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000299846412 KJ Annotated Anodyne S=C1NNC2(N1)[C@H]1CCC[C@H]2[C@H](c2ccc(Br)cc2)N[C@H]1c1ccc(Br)cc1 ZINC000299846413 KJ Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)[C@H](C)[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299846448 KJ Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)[C@H](C)[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299846450 KJ Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)[C@H](C)[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299846454 KJ Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)[C@H](C)[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299846457 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(C#N)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299846512 KJ Annotated Reactive N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1ccc(F)cc1 ZINC000299846556 KJ Annotated Mild N#CC1(C#N)[C@H](c2ccc(F)cc2)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000299846559 KJ Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@]4(C)C(=CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2C[C@H]4O)O1 ZINC000299846657 KJ Annotated Anodyne CCOC(=O)/C(C=Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1)=C(/O)OCC ZINC000299846715 KJ Annotated Mild CCOC(=O)/C(C=Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1)=C(\O)OCC ZINC000299846716 KJ Annotated Mild CC[C@H](C)C1=C(O)[N@@+]2([O-])Oc3ccc(C4=C(O)C(=O)C(c5ccc(O)cc5)=C(O)C4=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000299846723 KJ Annotated Mild C[C@@H]1CCCCN1CCCN/C(CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)=C1/C(=O)[C@@H]2CCCC(=O)N2C1=O ZINC000299846744 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc([N+](=O)[O-])cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299846980 KJ Annotated Reactive C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)O[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H]1C[C@H]2OCC[C@H]2O[C@H]1[C@@H]3C ZINC000299847292 KJ Annotated Mild CCCCCC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)CC[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000299847442 KJ Annotated Anodyne CCCCCC[C@H](C)C[C@H](C)C[C@H](CO)C[C@H](C)CC[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000299847444 KJ Annotated Anodyne CCCCCC[C@H](C)C[C@H](C)C[C@H](CO)C[C@H](C)CC[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000299847446 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4[C@@H]4COC(=O)C4)[C@]3(C)[C@H](O)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000299847529 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](CO)C[C@H](C)CC[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000299847687 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](CO)C[C@H](C)CC[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000299847689 KJ Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N(C)CCN(C)C)CC1 ZINC000299847881 KJ Annotated Anodyne NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccc(F)c(F)c3)[C@@H](O)[C@H]2CCc2ccc(F)c(F)c2)c1 ZINC000299848041 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C5=C[C@@H](CC(C)C)O[C@@H]5O)[C@]4(C)C[C@@H](O)[C@H]23)C1(C)C ZINC000299848058 KJ Annotated Anodyne O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000299848076 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C)(C)OC(=O)C[C@@H](OC(C)=O)[C@]2(C)[C@@H]2CC[C@@]3(C)C(=CC[C@H]3[C@H]3COC(=O)C3)[C@]12C ZINC000299848091 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C)(C)OC(=O)C[C@@H](OC(C)=O)[C@]2(C)[C@H]2CC[C@@]3(C)C(=CC[C@H]3[C@H]3COC(=O)C3)[C@]12C ZINC000299848094 KJ Annotated Anodyne CCCCOCCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCCOCCCC)[C@H]1c1ccc(O)cc1 ZINC000299848174 KJ Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)[C@@H]5CCN5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299848583 KJ Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)[C@H]5CCN5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299848594 KJ Annotated Anodyne CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CC)[C@H](C)C[C@@H]2CC=O)O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]1N(C)C ZINC000299848837 KJ Annotated Mild CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)C5CNC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849244 KJ Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCN5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849251 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c5c(c(O)c4c3C2=O)CNC(=N5)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299849297 KJ Annotated Clean CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5COC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849310 KJ Annotated Anodyne C/C=C\C=C\[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@@H](O)[C@@H](O)/C=C/C=C/C=C/C=C(\C)C(=O)c2c(O)ccn(C)c2=O)C[C@H](O)C1(C)C ZINC000299849316 KJ Annotated Mild C/C=C\C=C\[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@H](O)[C@@H](O)/C=C/C=C/C=C/C=C(\C)C(=O)c2c(O)ccn(C)c2=O)C[C@H](O)C1(C)C ZINC000299849318 KJ Annotated Mild CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCC(=O)O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849365 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299849592 KJ Annotated Clean CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCN)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849612 KJ Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849642 KJ Annotated Anodyne Nc1[nH]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000299849715 KJ Annotated Clean CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849721 KJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849723 KJ Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CN(C)C)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849734 KJ Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CNC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849770 KJ Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849772 KJ Annotated Anodyne C[C@@H]([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)[C@@H](O)[C@H](O)CC(F)(F)C(F)(F)C(F)(F)F ZINC000299850674 KJ Annotated Mild C[C@H]([C@H](O)[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)F)[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 ZINC000299850676 KJ Annotated Mild C[C@H]([C@H](O)[C@H](O)CC(F)(F)C(F)(F)C(F)(F)F)[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 ZINC000299850677 KJ Annotated Mild C[C@@H]([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)[C@@H](O)[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)F ZINC000299850679 KJ Annotated Mild O=C(/C=C/c1ccc(F)cc1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299850932 KJ Annotated Mild O=C(/C=C/c1ccccc1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299851644 KJ Annotated Mild C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@@H]2CCC[C@@H](C(=O)C(C)(C)[C@@H](O)CC(=O)O1)[C@H]2O ZINC000299851647 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4CC(=O)N5C[C@@H]6CCCN7CCC[C@@H]([C@H]67)[C@H]5C4)nn3)cc2)cc1OC ZINC000299851685 KJ Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4CC(=O)N5C[C@@H]6CCCN7CCC[C@@H]([C@H]67)[C@H]5C4)nn3)cc2)cc1 ZINC000299851862 KJ Annotated Mild O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299852133 KJ Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]3[C@H]1OC(=O)Cc1ccccc1)C2(C)C ZINC000299852435 KJ Annotated Mild Nc1nccc(-c2cn(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccc(Br)cc23)n1 ZINC000299852667 KJ Annotated Anodyne Nc1nccc(-c2cn(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccc(Br)cc23)n1 ZINC000299852818 KJ Annotated Bother CCOc1ccc(-c2nc(NC(=O)[C@@H](N)CCSC)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299852891 KJ Annotated Anodyne O=[S@@]1C2=C(CN(Cc3ccccc3Cl)CC2)[C@@H]2[C@H]1[C@H]1C=C3CN(Cc4ccccc4Cl)CC[C@]32[S@]1=O ZINC000299852992 KJ Annotated Anodyne O=[S@@]1C2=C(CN(Cc3ccccc3Cl)CC2)[C@@H]2[C@@H]1[C@H]1C=C3CN(Cc4ccccc4Cl)CC[C@]32[S@]1=O ZINC000299852993 KJ Annotated Anodyne O=[S@]1C2=C(CN(Cc3ccccc3Cl)CC2)[C@@H]2[C@@H]1[C@H]1C=C3CN(Cc4ccccc4Cl)CC[C@]32[S@@]1=O ZINC000299852994 KJ Annotated Anodyne O=[S@]1C2=C(CN(Cc3ccccc3Cl)CC2)[C@@H]2[C@H]1[C@H]1C=C3CN(Cc4ccccc4Cl)CC[C@]32[S@@]1=O ZINC000299852995 KJ Annotated Anodyne C[C@](C(=O)N1CCCC1)(c1ccc(F)cc1)n1cnc2nc3ncn([C@@](C)(C(=O)N4CCCC4)c4ccc(F)cc4)c3cc21 ZINC000299853097 KJ Annotated Anodyne C[C@@H]1CN(c2cnn(C/C=C\c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c(=O)c2Cl)C[C@@H](C)N1 ZINC000299853196 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3F)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299854510 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3F)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299854513 KJ Annotated Anodyne COc1cc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4CC(=O)N5C[C@@H]6CCCN7CCC[C@@H]([C@H]67)[C@H]5C4)nn3)cc2O)cc(OC)c1OC ZINC000299854590 KJ Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299855642 KJ Annotated Mild CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855806 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855809 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C#N)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299856053 KJ Annotated Mild CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C#N)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299856054 KJ Annotated Mild CC(C)C[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(N4[C@H]5COC[C@H]4CC(O)C5)cc3)c2c1)c1ccccn1 ZINC000299856171 KJ Annotated Anodyne COc1cc([C@H]2CC(c3ccccc3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299856392 KJ Annotated Anodyne COc1cc([C@@H]2CC(c3ccccc3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299856393 KJ Annotated Anodyne O[C@](CSc1nnc(-c2cccc(Br)c2)[nH]1)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000299856394 KJ Annotated Anodyne O[C@@](CSc1nnc(-c2cccc(Br)c2)[nH]1)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000299856395 KJ Annotated Anodyne c1cc2[nH]c(CCCc3nc4cc(C5=N[C@H]6CCCC[C@@H]6N5)ccc4[nH]3)nc2cc1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000299856530 KJ Annotated Anodyne CCCCOC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC(c1ccccc1)c1ccccc1)[C@H]1O[C@H](n2ccc(O)nc2=O)[C@H]2OC(C)(C)O[C@H]21 ZINC000299856538 KJ Annotated Anodyne COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299856662 KJ Annotated Anodyne COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299856663 KJ Annotated Anodyne CCOC(=O)c1nc(N(C(=O)c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)nc2nn(C)cc12 ZINC000299856843 KJ Annotated Anodyne CCCS(=O)(=O)N1N=C(c2ccc(OC)c3c2OC(C)(C)C=C3)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299857212 KJ Annotated Anodyne CCCS(=O)(=O)N1N=C(c2ccc(OC)c3c2OC(C)(C)C=C3)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299857214 KJ Annotated Anodyne CC1=C(C[C@H](O)C[C@H](O)/C=C/C=C/C(C)=C/C=C/[C@H](C)[C@H](O)[C@H](C)CCc2ccccc2)O[C@](C)(O)C1=O ZINC000299857349 KJ Annotated Mild CC1=C(C[C@H](O)C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)CCc2ccccc2)O[C@](C)(O)C1=O ZINC000299857350 KJ Annotated Mild CC1=C(C[C@H](O)C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)CCc2ccccc2)O[C@@](C)(O)C1=O ZINC000299857351 KJ Annotated Mild CC1=C(C[C@H](O)C[C@H](O)/C=C/C=C/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)CCc2ccccc2)O[C@@](C)(O)C1=O ZINC000299857352 KJ Annotated Mild CC1=C(C[C@H](O)C[C@H](O)/C=C/C=C/C(C)=C/C=C/[C@H](C)[C@H](O)[C@H](C)CCc2ccccc2)O[C@@](C)(O)C1=O ZINC000299857353 KJ Annotated Mild CC1=C(C[C@H](O)C[C@H](O)/C=C/C=C/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)CCc2ccccc2)O[C@](C)(O)C1=O ZINC000299857354 KJ Annotated Mild CC1=C(C[C@H](O)C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)CCc2ccccc2)O[C@](C)(O)C1=O ZINC000299857355 KJ Annotated Mild CC1=C(C[C@H](O)C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)CCc2ccccc2)O[C@@](C)(O)C1=O ZINC000299857356 KJ Annotated Mild COCCNC(=O)c1ccc(N(Cc2ccccn2)Cc2ccccn2)c2c(O)c3cccc(C)c3nc12 ZINC000299857411 KJ Annotated Bother Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CCNC3)n2)c1 ZINC000299857454 KJ Annotated Anodyne COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(-c5ccccc5)cnc4Cl)nn3)C2)cc(OC)c1OC ZINC000299857584 KJ Annotated Anodyne COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(-c5ccccc5)cnc4Cl)nn3)C2)cc(OC)c1OC ZINC000299857586 KJ Annotated Anodyne COc1cc(CN2C(=O)[C@]3(C4=C(COC4=O)Nc4[nH]nc(-c5ccccc5)c43)c3cc(Cl)ccc32)cc(OC)c1OC ZINC000299857823 KJ Annotated Anodyne COc1cc(CN2C(=O)[C@@]3(C4=C(COC4=O)Nc4[nH]nc(-c5ccccc5)c43)c3cc(Cl)ccc32)cc(OC)c1OC ZINC000299857824 KJ Annotated Anodyne CCC(=O)N1CCC[C@@H](CN2c3ccccc3N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)C1 ZINC000299857843 KJ Annotated Anodyne CCC(=O)N1CCC[C@H](CN2c3ccccc3N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)C1 ZINC000299857844 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCN3CCCC3)O5)ccc2OC)c1 ZINC000299857957 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCN3CCCC3)O5)ccc2OC)c1 ZINC000299857959 KJ Annotated Anodyne O=C(N1CC=C(c2cc3c(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)ncnc3[nH]2)CC1)N1CCOCC1 ZINC000299858238 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CN3CCCC3)O5)ccc2OC)c1 ZINC000299858298 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CN3CCCC3)O5)ccc2OC)c1 ZINC000299858301 KJ Annotated Anodyne CCOC(=O)c1sc2ccc(NCc3c[nH]cn3)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000299858592 KJ Annotated Anodyne COc1ccc(-c2nn(C[C@H]3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c(F)c1 ZINC000299858665 KJ Annotated Anodyne COc1ccc(-c2nn(C[C@@H]3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c(F)c1 ZINC000299858668 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2C[C@@H]3C[C@H]2CN3Cc2ccc(F)cc2)c2ccc(C)c(Cl)c2)CC1 ZINC000299858772 KJ Annotated Anodyne CC(=O)ON(C)C(=O)CC[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000299858903 KJ Annotated Mild CC(=O)ON(C)C(=O)CC[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000299858904 KJ Annotated Mild O=C1OCC2=C1[C@@]1(C(=O)N(Cc3ccccc3)c3ccc(Br)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299858937 KJ Annotated Anodyne O=C1OCC2=C1[C@]1(C(=O)N(Cc3ccccc3)c3ccc(Br)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299858938 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCN(C(=O)c3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299859441 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCN(C(=O)c3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299859445 KJ Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cc3)CC1)N(CC(=O)c1ccc(Cl)cc1)C(=O)CO2 ZINC000299859517 KJ Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)NCCN3CCOCC3)n2)c1 ZINC000299859527 KJ Annotated Anodyne COc1cc(COCc2cn(Cc3cc(-c4ccccc4)cnc3N3CCSCC3)nn2)cc(OC)c1OC ZINC000299859557 KJ Annotated Anodyne CCC[C@H](C=NN(C)C(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cccc(OC)c2o1 ZINC000299859590 KJ Annotated Reactive CCOC(=O)c1sc2ccc(NCc3nc[nH]c3C)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000299859995 KJ Annotated Anodyne O=c1c2c(F)cc(C3CC3)cc2ccn1-c1cccc(-c2ncnc3[nH]c(C4=CCN(C5COC5)CC4)cc23)c1CO ZINC000299860035 KJ Annotated Anodyne COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(-c5ccccc5)cnc4N4CCSCC4)nn3)C2)cc(OC)c1OC ZINC000299860300 KJ Annotated Anodyne COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(-c5ccccc5)cnc4N4CCSCC4)nn3)C2)cc(OC)c1OC ZINC000299860303 KJ Annotated Anodyne O=C(/C=C/c1ccc(F)cc1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1O ZINC000299860351 KJ Annotated Mild Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CCNC3)n2)c1 ZINC000299860411 KJ Annotated Anodyne O=C(N/N=C/c1cn(Cc2cc(-c3ccccc3)cnc2N2CCSCC2)nn1)c1ccc(C(F)(F)F)cc1 ZINC000299860942 KJ Annotated Reactive COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N(C)Cc2cccc3ccccc23)C(C)C)ccc1OC ZINC000299861034 KJ Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC(F)(F)F)cc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299861070 KJ Annotated Mild COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=NN(C)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)oc12 ZINC000299861155 KJ Annotated Reactive O=C1CCc2ccc(OCCCCNCCc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cc2N1 ZINC000299861522 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CN(N2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299861642 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(Br)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000299861738 KJ Annotated Mild COc1ccc(C2=NN(S(=O)(=O)C3CC3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299861745 KJ Annotated Anodyne COc1ccc(C2=NN(S(=O)(=O)C3CC3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299861747 KJ Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)cc2)[C@]3(C[C@]5(OC(=O)c2ccc(OC)cc2)[C@H]67)[C@@H]1O ZINC000299861772 KJ Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4CC(=O)N5C[C@@H]6CCCN7CCC[C@@H]([C@H]67)[C@H]5C4)nn3)cc2O)cc1 ZINC000299861991 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(I)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000299862208 KJ Annotated Mild O=C1NC(=O)N(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299862277 KJ Annotated Anodyne O=C1NC(=O)N(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299862278 KJ Annotated Anodyne CCN(CC)Cc1cccn1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1 ZINC000299862478 KJ Annotated Anodyne C#Cc1ccc2[nH]c3c(c2c1)C/C(C(=O)OC)=C\N1CC(CC)=C[C@@H](C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000299862692 KJ Annotated Mild O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccc(Cl)cc2)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000299862707 KJ Annotated Anodyne O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000299862981 KJ Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccccc2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)c1ccccc1 ZINC000299863053 KJ Annotated Mild O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299863054 KJ Annotated Anodyne O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299863055 KJ Annotated Anodyne OC[C@H]1O[C@@H]2N=C(SCCCCCCCCCCCCCCCCI)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000299863122 KJ Annotated Reactive COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N(C)Cc2ccccc2-n2cccc2)C(C)C)ccc1OC ZINC000299863373 KJ Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccccc3)cc2)n1 ZINC000299863462 KJ Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(Cl)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000299863584 KJ Annotated Mild O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299863625 KJ Annotated Anodyne O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299863626 KJ Annotated Anodyne COc1cc([C@@H]2C[C@@H](COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)ON2C=O)cc(OC)c1OC ZINC000299863667 KJ Annotated Anodyne COc1cc([C@H]2C[C@H](COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)ON2C=O)cc(OC)c1OC ZINC000299863670 KJ Annotated Anodyne COc1cc([C@H]2C[C@@H](COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)ON2C=O)cc(OC)c1OC ZINC000299863672 KJ Annotated Anodyne COc1cc([C@@H]2C[C@H](COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)ON2C=O)cc(OC)c1OC ZINC000299863674 KJ Annotated Anodyne COc1ccc2c(c1)OC[C@H](C(=O)NC(=O)N(CC(=O)NCCCCCCNC(=O)c1ccc(-c3n[nH]c4ccccc34)cc1)CC(C)C)O2 ZINC000299864305 KJ Annotated Anodyne COc1ccc2c(c1)OC[C@@H](C(=O)NC(=O)N(CC(=O)NCCCCCCNC(=O)c1ccc(-c3n[nH]c4ccccc34)cc1)CC(C)C)O2 ZINC000299864306 KJ Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(CCO)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299864394 KJ Annotated Anodyne COc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299864576 KJ Annotated Anodyne COc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299864577 KJ Annotated Anodyne COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccccc5)cnc4N4CCOCC4)nn3)on2)cc(OC)c1OC ZINC000299865056 KJ Annotated Anodyne C=CC(=O)Nc1ccc(CCSc2nc(N3C[C@H](C)O[C@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000299865114 KJ Annotated Mild C=CC(=O)Nc1ccc(CCSc2nc(N3C[C@H](C)O[C@@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000299865115 KJ Annotated Mild C=CC(=O)Nc1ccc(CCSc2nc(N3C[C@@H](C)O[C@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000299865116 KJ Annotated Mild COc1cc(COCc2cn(Cc3cc(-c4ccc(C)cc4)cnc3N3CCSCC3)nn2)cc(OC)c1OC ZINC000299865330 KJ Annotated Anodyne COc1ccc(C2=Nc3c(C)nn(-c4ccccc4)c3N[C@@H](c3ccc(Oc4nc5c(c(=O)n(C)c(=O)n5C)n4C)c(OC)c3)C2)cc1 ZINC000299865368 KJ Annotated Anodyne COc1ccc(C2=Nc3c(C)nn(-c4ccccc4)c3N[C@H](c3ccc(Oc4nc5c(c(=O)n(C)c(=O)n5C)n4C)c(OC)c3)C2)cc1 ZINC000299865369 KJ Annotated Anodyne COc1cc(CN2C(=O)[C@]3(c4cc(Cl)ccc42)c2c(O)nc(O)nc2Nc2[nH]nc(-c4ccccc4)c23)cc(OC)c1OC ZINC000299865401 KJ Annotated Anodyne COc1cc(CN2C(=O)[C@@]3(c4cc(Cl)ccc42)c2c(O)nc(O)nc2Nc2[nH]nc(-c4ccccc4)c23)cc(OC)c1OC ZINC000299865402 KJ Annotated Anodyne O=C(Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1)OCCCCn1cccn1 ZINC000299865531 KJ Annotated Anodyne COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4N4CCSCC4)nn3)C2)cc(OC)c1OC ZINC000299865731 KJ Annotated Anodyne COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4N4CCSCC4)nn3)C2)cc(OC)c1OC ZINC000299865732 KJ Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2cccc([N+](=O)[O-])c2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000299866627 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(Br)cc12 ZINC000299866827 KJ Annotated Mild CN(O)C(=O)CO[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299866847 KJ Annotated Anodyne CN(O)C(=O)CO[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299866848 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CN3CCN(C(=O)OC(C)(C)C)CC3)O5)ccc2OC)c1 ZINC000299866892 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CN3CCN(C(=O)OC(C)(C)C)CC3)O5)ccc2OC)c1 ZINC000299866893 KJ Annotated Anodyne COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4N4CCOCC4)nn3)on2)cc(OC)c1OC ZINC000299867531 KJ Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)N[C@H]3CCNC3)n2)c1 ZINC000299867632 KJ Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccccc3)cc2)no1 ZINC000299867752 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)[C@@H](O)[C@H](O)[C@H]2[C@H](C)C(=O)CC[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000299867849 KJ Annotated Anodyne C#Cc1ccc2[nH]c3c(c2c1)C/C(C(=O)OC)=C(/C(=O)NC(C)C)N1CC(CC)=C[C@@H](C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000299867925 KJ Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)c2ccc(OC)c(OC)c2)[C@H]67)[C@@H]1OC(=O)c1ccc(OC)c(OC)c1 ZINC000299868449 KJ Annotated Mild O=C(O)Cn1cc(-c2ccc(C(=O)c3[nH]c(Cl)c(Cl)c3-n3c(C(=O)c4ccc(-c5cn(CC(=O)O)nn5)cc4O)cc(Cl)c3Cl)c(O)c2)nn1 ZINC000299868464 KJ Annotated Anodyne CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4cnccn4)n(C)c3c2)cnc1/C=C/C(=O)O ZINC000299868542 KJ Annotated Anodyne Cc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4CC(=O)N5C[C@@H]6CCCN7CCC[C@@H]([C@H]67)[C@H]5C4)nn3)cc2O)cc1 ZINC000299868592 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3c4nc5cc(Br)ccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000299868639 KJ Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccc(Cl)cc3Cl)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000299868669 KJ Annotated Anodyne COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccc(Cl)cc3Cl)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000299868670 KJ Annotated Anodyne C=CC(C)(C)[C@]12C[C@@H](C(=O)Nc3ccccc3C(=O)OC)N(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1N(C(C)=O)c1ccccc12 ZINC000299868682 KJ Annotated Mild O=C(O)CCNCc1cn(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)nn1 ZINC000299868908 KJ Annotated Anodyne CCC1=C[C@H]2CN(C1)/C(C(=O)NC(C)C)=C(/C(=O)OC)Cc1c([nH]c3ccc(C=O)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000299869164 KJ Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N(CCO)CCO)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299869663 KJ Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@@H](OCCO)[C@@H]1OCCCO ZINC000299870195 KJ Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@H]1OCCCO ZINC000299870196 KJ Annotated Mild COc1ccc2c(c1OC(=O)NCc1ccccc1)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C ZINC000299870319 KJ Annotated Anodyne CCCCOC(=O)OCOP(=O)(OCOC(=O)OCCCC)[C@H](OCC(=O)N(C)O)c1ccc(F)c(F)c1 ZINC000299870669 KJ Annotated Anodyne CCCCOC(=O)OCOP(=O)(OCOC(=O)OCCCC)[C@@H](OCC(=O)N(C)O)c1ccc(F)c(F)c1 ZINC000299870670 KJ Annotated Anodyne COc1cccc2c(O)c3c(N(Cc4ccccn4)Cc4ccccn4)ccc(C(=O)NCCCN(C)C)c3nc12 ZINC000299870680 KJ Annotated Bother O=C1N(Cc2ccc3c(c2)OCC3)c2ccc(Br)cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299870938 KJ Annotated Anodyne O=C1N(Cc2ccc3c(c2)OCC3)c2ccc(Br)cc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299870939 KJ Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)c(OC)c2)[C@]3(C[C@]5(OC(=O)c2ccc(OC)c(OC)c2)[C@H]67)[C@@H]1O ZINC000299871029 KJ Annotated Mild CCC1=C[C@H]2CN(/C=C(/C(=O)OC)Cc3c([nH]c4ccc(C=O)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000299871050 KJ Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC6CN(CCO)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299871192 KJ Annotated Anodyne O=C(Cn1cc(CN(c2ncccn2)c2nc3ccccc3s2)nn1)Nc1cccc(C(F)(F)F)c1 ZINC000299871442 KJ Annotated Anodyne Cc1c(NC(=O)c2nc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000299871460 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4CC(=O)N5C[C@@H]6CCCN7CCC[C@@H]([C@H]67)[C@H]5C4)nn3)cc2O)cc1OC ZINC000299871597 KJ Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)c2ccc(OC)cc2)[C@H]67)[C@@H]1OC(=O)c1ccc(OC)cc1 ZINC000299871965 KJ Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299873007 KJ Annotated Anodyne CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@H]3C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C ZINC000299873032 KJ Annotated Mild CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@H]3C[C@@H](OC(=O)[C@@H](O)C(C)C)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C ZINC000299873033 KJ Annotated Mild CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(=O)[C@@H](O)C(C)C)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C ZINC000299873034 KJ Annotated Mild CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299873705 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299873706 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299873754 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299873755 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299873756 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299873757 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299873824 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299873825 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299873866 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299873867 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299873931 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299873932 KJ Annotated Anodyne CO[C@@H]1C(=O)/C2=C(/O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@@]2(C)[C@@H]1O ZINC000299873960 KJ Annotated Anodyne CO[C@@H]1C(=O)/C2=C(/O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@H]1O ZINC000299873961 KJ Annotated Anodyne CO[C@@H]1C(=O)/C2=C(/O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@@]2(C)[C@H]1O ZINC000299873962 KJ Annotated Anodyne CO[C@@H]1C(=O)/C2=C(/O)O[C@](C)(O)/C=C/C=C\C=C/C=C/[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@@H]1O ZINC000299873963 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299873987 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299873988 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299873995 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299873996 KJ Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874003 KJ Annotated Mild C[C@H]1[C@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874004 KJ Annotated Mild CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@H](C)CC ZINC000299874111 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299874112 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299874113 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299874147 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299874148 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000299874149 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299874234 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299874235 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299874236 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000299874252 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000299874253 KJ Annotated Anodyne COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000299874254 KJ Annotated Anodyne COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000299874255 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299874286 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299874287 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299874357 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299874358 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299874359 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CC(C)C)C(=O)N2 ZINC000299874410 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000299874413 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000299874414 KJ Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000299874415 KJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000299874416 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299874473 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299874474 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299874495 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299874496 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299874497 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299874498 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000299874601 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000299874602 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299874675 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299874676 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@@H]2C(C)C)cc1 ZINC000299874677 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@@H]2C(C)C)cc1 ZINC000299874678 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299874777 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299874778 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299874779 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299874802 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299874803 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299874829 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299874830 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299874831 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299874832 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299874847 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299874848 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299874855 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299874856 KJ Annotated Anodyne C/N=C(\S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299874857 KJ Annotated Mild C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874870 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874871 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874872 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874873 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299874935 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299874936 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OCC ZINC000299874988 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OCC ZINC000299874989 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299874990 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299874991 KJ Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000299875006 KJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000299875007 KJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299875036 KJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299875037 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299875056 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299875057 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299875058 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299875059 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000299875082 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000299875083 KJ 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)Cc3ccccc3OC)C2)c1 ZINC000299875194 KJ 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)Cc3ccccc3OC)C2)c1 ZINC000299875195 KJ 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)Cc3ccccc3OC)C2)c1 ZINC000299875196 KJ 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)Cc3ccccc3OC)C2)c1 ZINC000299875197 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299875258 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299875259 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299875260 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299875261 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299875267 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299875268 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299875328 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299875329 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299875330 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299875331 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299875415 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299875416 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299875417 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299875418 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299875441 KJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 ZINC000299875476 KJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)[C@H](O)c1ccccc1 ZINC000299875477 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299875488 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299875489 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299875707 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299875708 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299875709 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299875741 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299875742 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000299875791 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000299875792 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000299875888 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000299875889 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000299875904 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299875905 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299875908 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299875909 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299875920 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299875921 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299875946 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299875947 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299876028 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299876029 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876041 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876042 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299876043 KJ Annotated Anodyne CSCC[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299876044 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876087 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876088 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876089 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876090 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299876106 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299876107 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000299876108 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299876141 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299876142 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1)OCC ZINC000299876221 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1)OCC ZINC000299876222 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876230 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876231 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299876265 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299876266 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000299876267 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299876330 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299876331 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299876332 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299876333 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000299876348 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000299876398 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000299876399 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299876596 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299876597 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299876598 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299876599 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000299876615 KJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000299876616 KJ Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000299876633 KJ Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000299876634 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299876640 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299876641 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299876642 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299876767 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299876768 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299876769 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299876770 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299876840 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299876841 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299876842 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299876854 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299876855 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299876856 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000299876931 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000299876932 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299876987 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299876988 KJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299876989 KJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299876990 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877062 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877063 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877064 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877065 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000299877082 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000299877083 KJ 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)c3cc(OC)ccc3OC)C2)c1 ZINC000299877147 KJ 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)c3cc(OC)ccc3OC)C2)c1 ZINC000299877148 KJ 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)c3cc(OC)ccc3OC)C2)c1 ZINC000299877149 KJ 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)c3cc(OC)ccc3OC)C2)c1 ZINC000299877150 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000299877233 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000299877234 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000299877330 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000299877331 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000299877359 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000299877360 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000299877361 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299877362 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299877363 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299877364 KJ Annotated Anodyne COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000299877423 KJ Annotated Anodyne COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000299877424 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299877483 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299877484 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299877490 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299877491 KJ Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299877492 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299877541 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299877542 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299877555 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299877556 KJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299877645 KJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299877646 KJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299877647 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000299877663 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000299877664 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299877665 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299877666 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000299877669 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000299877670 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1)OCC ZINC000299877727 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1)OCC ZINC000299877728 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299877748 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299877749 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299877810 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299877811 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299877829 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299877830 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299877849 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299877850 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccc(O)cc1)CC(C)(C)C ZINC000299878025 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccc(O)cc1)CC(C)(C)C ZINC000299878026 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299878089 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299878090 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000299878091 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878212 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878213 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878214 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878215 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299878224 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299878225 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000299878226 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000299878227 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000299878228 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299878259 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299878260 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)CC(C)C)cc1OC ZINC000299878277 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)CC(C)C)cc1OC ZINC000299878278 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)CC(C)C)cc1OC ZINC000299878279 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)CC(C)C)cc1OC ZINC000299878280 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCc3ccccc32)c(OC)c1OC ZINC000299878305 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2CCc3ccccc32)c(OC)c1OC ZINC000299878306 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000299878309 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000299878310 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299878354 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299878355 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299878367 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299878368 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000299878401 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000299878402 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)C1 ZINC000299878439 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)C1 ZINC000299878440 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878524 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878525 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878526 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000299878565 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299878568 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299878569 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299878590 KJ Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299878591 KJ Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299878592 KJ Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299878593 KJ Annotated Clean COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)CC(C)C)c(OC)c1OC ZINC000299878622 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)CC(C)C)c(OC)c1OC ZINC000299878623 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)CC(C)C)c(OC)c1OC ZINC000299878624 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)CC(C)C)c(OC)c1OC ZINC000299878625 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299878711 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299878712 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299878713 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299878714 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](Cc1ccc(O)cc1)N([C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000299878851 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](Cc1ccc(O)cc1)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000299878852 KJ Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299878876 KJ Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299878877 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299879303 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299879304 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299879305 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000299879377 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000299879378 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299879380 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299879381 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299879382 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299879383 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NC[C@@H](C)O)ccc2c1 ZINC000299879404 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NC[C@H](C)O)ccc2c1 ZINC000299879405 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NC[C@H](C)O)ccc2c1 ZINC000299879406 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NC[C@@H](C)O)ccc2c1 ZINC000299879407 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccccc1)CC(C)(C)C ZINC000299879423 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccccc1)CC(C)(C)C ZINC000299879424 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000299879429 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000299879430 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000299879431 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299879467 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299879468 KJ Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299879620 KJ Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299879621 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C)OCC ZINC000299879661 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000299879662 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C)OCC ZINC000299879663 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000299879664 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299879734 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299879735 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000299879808 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000299879809 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000299879810 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299879811 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299879812 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OC ZINC000299879853 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC ZINC000299879854 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000299879855 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299879882 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299879883 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000299879934 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000299879935 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)c1 ZINC000299879938 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)c1 ZINC000299879939 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)c1 ZINC000299879940 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299879977 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299879978 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299879979 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299880046 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299880047 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@H](O)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299880091 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299880092 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299880093 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@H]2C(C)C)cc1 ZINC000299880100 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@H]2C(C)C)cc1 ZINC000299880101 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1)OCC ZINC000299880106 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1)OCC ZINC000299880107 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OCC ZINC000299880108 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299880118 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299880119 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299880120 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299880121 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299880122 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299880123 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880129 KJ Annotated Anodyne CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@H](C)CC ZINC000299880177 KJ Annotated Anodyne CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299880178 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299880238 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299880239 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299880328 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299880329 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299880370 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299880371 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299880372 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299880373 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299880395 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299880396 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299880397 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000299880417 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000299880418 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000299880466 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299880467 KJ Annotated Anodyne C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC[C@H]4C(O)(c4ccccc4)c4ccccc4)[C@H]3[C@H](O)[C@@]21C ZINC000299880491 KJ Annotated Anodyne C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC[C@H]4C(O)(c4ccccc4)c4ccccc4)[C@H]3[C@H](O)[C@@]21C ZINC000299880492 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299880496 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299880497 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299880498 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299880511 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299880512 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880517 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880518 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880519 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880520 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299880627 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299880628 KJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000299880688 KJ Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000299880689 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299880690 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299880691 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000299880707 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000299880708 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000299880709 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000299880714 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000299880715 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299880742 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299880743 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299880750 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299880751 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299880780 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000299880781 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299880782 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299880843 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299880844 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299880920 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299880921 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880991 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880992 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881049 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881050 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881051 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881052 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299881063 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299881064 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c1 ZINC000299881102 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c1 ZINC000299881103 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000299881122 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000299881123 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000299881135 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000299881136 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000299881137 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299881326 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000299881327 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000299881328 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000299881385 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000299881386 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299881403 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299881462 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299881463 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299881490 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299881491 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299881600 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299881601 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299881602 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000299881603 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000299881604 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OC ZINC000299881682 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC ZINC000299881683 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000299881684 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000299881773 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000299881774 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299881803 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299882000 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299882001 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299882002 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299882003 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299882004 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299882010 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299882011 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299882012 KJ 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)c3cccnc3SC)C2)c1 ZINC000299882069 KJ 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)c3cccnc3SC)C2)c1 ZINC000299882070 KJ 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)c3cccnc3SC)C2)c1 ZINC000299882071 KJ 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)c3cccnc3SC)C2)c1 ZINC000299882072 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299882099 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299882100 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OC ZINC000299882120 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000299882121 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC ZINC000299882122 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299882261 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299882262 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000299882333 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000299882334 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299882352 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299882353 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299882361 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299882362 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299882363 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299882364 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299882524 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299882525 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299882526 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299882527 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000299882562 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000299882563 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000299882662 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000299882663 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000299882664 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299882667 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299882668 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299882669 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000299882670 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OC ZINC000299882733 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC ZINC000299882734 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000299882735 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299882840 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299882841 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000299882853 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N2 ZINC000299882854 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299882980 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299882981 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299882982 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299883025 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299883026 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299883027 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299883138 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299883139 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299883174 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299883175 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299883255 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299883256 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299883257 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299883268 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299883269 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299883303 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299883304 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CSCc1ccccc1)CC(C)(C)C ZINC000299883458 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CSCc1ccccc1)CC(C)(C)C ZINC000299883459 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299883480 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299883481 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000299883482 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299883503 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299883581 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299883582 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299883583 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000299883593 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000299883594 KJ Annotated Anodyne C/N=C(\S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299883622 KJ Annotated Mild C/N=C(\S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299883623 KJ Annotated Mild Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](CC(C)C)C(=O)N2 ZINC000299883638 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CC(C)C)C(=O)N2 ZINC000299883639 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299883658 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299883659 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000299883686 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000299883687 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000299883688 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000299883689 KJ Annotated Anodyne C/N=C(\S)N(C[C@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299883802 KJ Annotated Mild C/N=C(\S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299883803 KJ Annotated Mild COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299884186 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299884187 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299884188 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299884189 KJ Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000299884383 KJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000299884384 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299884398 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299884399 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299884402 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299884403 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299884404 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000299884463 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000299884464 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000299884465 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000299884466 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299884471 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299884472 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299884497 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299884498 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299884499 KJ Annotated Anodyne CCOP(=O)(CC(=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)OCC ZINC000299884563 KJ Annotated Anodyne CCOP(=O)(CC(=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)OCC ZINC000299884564 KJ Annotated Anodyne CCOP(=O)(CC(=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)OCC ZINC000299884565 KJ Annotated Anodyne CCOP(=O)(CC(=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)OCC ZINC000299884566 KJ 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)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299884633 KJ 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)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299884634 KJ 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)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299884635 KJ 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)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299884636 KJ Annotated Anodyne O=C(NCCCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)OCc1ccccc1 ZINC000299884687 KJ Annotated Anodyne O=C(NCCCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)OCc1ccccc1 ZINC000299884688 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)C2=O ZINC000299884713 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)C2=O ZINC000299884714 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000299884737 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000299884738 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000299884739 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000299884740 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@H]3O)ccc2c1 ZINC000299884741 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@H]3O)ccc2c1 ZINC000299884742 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299884760 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299884761 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299884779 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299884780 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299884781 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299884782 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2CCCCN)cc1 ZINC000299884785 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2CCCCN)cc1 ZINC000299884786 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299884824 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299884825 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299884826 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@H]3O)ccc2c1 ZINC000299884845 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H]3CCCC[C@H]3O)ccc2c1 ZINC000299884846 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000299884921 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000299884922 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000299884923 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000299884924 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299884930 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299884931 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299884962 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299884963 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299885116 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299885117 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299885118 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299885119 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000299885134 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H](C)CO)ccc2c1 ZINC000299885200 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H](C)CO)ccc2c1 ZINC000299885201 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@@H](C)CO)ccc2c1 ZINC000299885202 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](C)CO)ccc2c1 ZINC000299885203 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885233 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885234 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885235 KJ 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)c(OC)cc2Cl)C1 ZINC000299885297 KJ 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)c(OC)cc2Cl)C1 ZINC000299885298 KJ 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)c(OC)cc2Cl)C1 ZINC000299885299 KJ 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)c(OC)cc2Cl)C1 ZINC000299885300 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000299885337 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000299885338 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299885343 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299885344 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000299885384 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000299885385 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000299885389 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000299885390 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299885392 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299885393 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299885394 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1[C@H](C)CC ZINC000299885395 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299885478 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000299885479 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299885480 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCO)ccc2c1 ZINC000299885549 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCO)ccc2c1 ZINC000299885550 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@H]3O)ccc2c1 ZINC000299885652 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@@H]3O)ccc2c1 ZINC000299885653 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@H]3O)ccc2c1 ZINC000299885654 KJ Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000299885682 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000299885683 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000299885790 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000299885791 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299885835 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299885836 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299885869 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299885870 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)NCCC#N)ccc2c1 ZINC000299885906 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)NCCC#N)ccc2c1 ZINC000299885907 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299885908 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299885909 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299885953 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000299885954 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299885955 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299885965 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000299885966 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299885967 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000299886019 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000299886020 KJ Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccc(O)cc1)c1ccccc1 ZINC000299886030 KJ Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccc(O)cc1)c1ccccc1 ZINC000299886031 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299886092 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299886093 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299886094 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299886095 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299886205 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299886206 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299886207 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299886208 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000299886213 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000299886214 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000299886215 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000299886216 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000299886219 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000299886220 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299886266 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299886267 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299886353 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299886354 KJ Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299886355 KJ Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299886356 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000299886400 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000299886401 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000299886419 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000299886420 KJ Annotated Mild CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299886483 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299886484 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299886485 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886499 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886500 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886501 KJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886502 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000299886533 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000299886534 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299886541 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299886542 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000299886579 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000299886619 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000299886620 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000299886621 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299886658 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299886659 KJ 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)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299886741 KJ 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)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299886742 KJ 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)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299886743 KJ 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)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299886744 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299886789 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299886790 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299886791 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299886808 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299886809 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299886813 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299886814 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299886884 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299886885 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000299886932 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000299886933 KJ Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000299886934 KJ Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]([C@@H]1CC=CCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299886949 KJ Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)[C@@H]2CC=CCC2)[C@@H]1CSCc1ccccc1 ZINC000299886950 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000299886957 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1 ZINC000299886958 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299886962 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299886963 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299886982 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299886983 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299886984 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299887058 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299887059 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299887060 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299887100 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299887101 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299887181 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000299887182 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299887248 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299887249 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299887250 KJ Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000299887304 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299887322 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299887323 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000299887324 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299887325 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299887345 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299887346 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299887347 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299887434 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299887435 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000299887509 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000299887510 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887542 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887543 KJ Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(CCCNC(=O)OCc5ccccc5)nc4n3)C[C@H]2C)c1 ZINC000299887593 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299887614 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299887615 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299887676 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299887677 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299887678 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](C(C)C)C(=O)N2 ZINC000299887719 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](C(C)C)C(=O)N2 ZINC000299887720 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299887746 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299887747 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299887783 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299887784 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299887897 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299887898 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299887899 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299887900 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299887919 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299887920 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299887921 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299887922 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000299887993 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000299887994 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000299887995 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000299887996 KJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000299888092 KJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000299888093 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299888166 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299888167 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299888168 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299888169 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299888170 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299888180 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299888181 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299888182 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299888183 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000299888203 KJ Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000299888204 KJ Annotated Anodyne COc1ccc(Cl)cc1-n1c(=S)sc2c(=O)n(-c3ccc(F)cc3)c(SCC(=O)O)nc21 ZINC000003026768 KJ Annotated Anodyne NC(=O)C1CCN(C(=O)c2ccc3c(=O)n(C4CCCCC4)c(SCC(=O)c4ccc(Cl)cc4)nc3c2)CC1 ZINC000003052387 KJ Annotated Anodyne CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4c5c(c(N6CCN(C)CC6)c(F)cc5c3=O)OC[C@H]4C)cc2)cc1 ZINC000003324862 KJ Annotated Anodyne CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4c5c(c(N6CCN(C)CC6)c(F)cc5c3=O)OC[C@@H]4C)cc2)cc1 ZINC000003324864 KJ Annotated Anodyne CC[C@@H]1C(=O)N[C@@H](Cc2[nH]c(/C=C3/N=C(C[C@H]4NC(=O)[C@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@H]1C ZINC000030725776 KJ Annotated Anodyne in-man endogenous CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]4(O)CC(=O)C(C)=C[C@H]4C(=O)O3)O2)C[C@H](O)[C@@H]1C ZINC000030727763 KJ Annotated Mild in-vitro CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C3\CO[C@@H]4C(=O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000030727772 KJ Annotated Mild in-vitro C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000030727793 KJ Annotated Mild in-man N[C@@H](CC/C(O)=N/[C@@H](CS[C@H]1c2cc3ccccc3c3ccc4cccc(c4c23)[C@@H]1O)/C(O)=N/CC(=O)O)C(=O)O ZINC000030728694 KJ Annotated Mild in-man metabolite N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1c2cc3ccccc3c3ccc4cccc(c4c23)[C@@H]1O)/C(O)=N/CC(=O)O)C(=O)O ZINC000030728698 KJ Annotated Mild in-man metabolite N[C@@H](CC/C(O)=N/[C@@H](CS[C@H]1c2cc3ccccc3c3ccc4cccc(c4c23)[C@H]1O)/C(O)=N/CC(=O)O)C(=O)O ZINC000030728703 KJ Annotated Mild in-man metabolite N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1c2cc3ccccc3c3ccc4cccc(c4c23)[C@H]1O)/C(O)=N/CC(=O)O)C(=O)O ZINC000030728707 KJ Annotated Mild in-man metabolite C/C=C\C[C@H](C)[C@H](OC(C)=O)[C@H](C(=O)CCCCCCC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)C(C)C)N(C)C ZINC000306146683 KJ Annotated Anodyne C/C=C\C[C@H](C)[C@H](OC(C)=O)[C@H](C(=O)CCCCCCC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)C(C)C)N(C)C ZINC000306146684 KJ Annotated Anodyne C/C=C/C[C@H](C)[C@H](OC(C)=O)[C@H](C(=O)CCCCCCC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)C(C)C)N(C)C ZINC000306146685 KJ Annotated Anodyne C/C=C/C[C@H](C)[C@H](OC(C)=O)[C@H](C(=O)CCCCCCC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)C(C)C)N(C)C ZINC000306146686 KJ Annotated Anodyne CC(C)[C@H](N)C(=O)O[C@H](C)[C@@H]1CC=CCC[C@H](O)C(C)(C)[C@H]2CC[C@H](C)[C@@]3(O2)O[B@-]24O[C@@H]3C(=O)O[C@@H]3C[C@H](CCC[C@H](O)C(C)(C)[C@@H]5CC[C@H](C)[C@](O5)(O2)[C@@H](O4)C(=O)O1)O[C@H]3C ZINC000306146808 KJ Annotated Anodyne CC(C)[C@H](N)C(=O)O[C@H](C)[C@@H]1CC=CCC[C@H](O)C(C)(C)[C@H]2CC[C@H](C)[C@@]3(O2)O[B@-]24O[C@@H]3C(=O)O[C@@H]3C[C@H](CCC[C@H](O)C(C)(C)[C@@H]5CC[C@H](C)[C@](O5)(O2)[C@@H](O4)C(=O)O1)O[C@@H]3C ZINC000306146809 KJ Annotated Anodyne CC(C)[C@H](N)C(=O)O[C@H](C)[C@@H]1CC=CCC[C@H](O)C(C)(C)[C@H]2CC[C@H](C)[C@@]3(O2)O[B@-]24O[C@@H]3C(=O)O[C@@H]3C[C@H](CCC[C@@H](O)C(C)(C)[C@@H]5CC[C@H](C)[C@](O5)(O2)[C@@H](O4)C(=O)O1)O[C@@H]3C ZINC000306146810 KJ Annotated Anodyne CC(C)[C@H](N)C(=O)O[C@H](C)[C@@H]1CC=CCC[C@H](O)C(C)(C)[C@H]2CC[C@H](C)[C@@]3(O2)O[B@-]24O[C@@H]3C(=O)O[C@@H]3C[C@H](CCC[C@@H](O)C(C)(C)[C@@H]5CC[C@H](C)[C@](O5)(O2)[C@@H](O4)C(=O)O1)O[C@H]3C ZINC000306146811 KJ Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@](C)(O)[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2C[C@@H](C[C@@H]1O)O[C@]1(CC[C@H](C)[C@H](C[C@H](C)O)O1)[C@@H]2C ZINC000306146893 KJ Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@](C)(O)[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2C[C@@H](C[C@@H]1O)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@@H]2C ZINC000306146894 KJ Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@](C)(O)[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2C[C@@H](C[C@@H]1O)O[C@]1(CC[C@H](C)[C@H](C[C@H](C)O)O1)[C@H]2C ZINC000306146895 KJ Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@](C)(O)[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2C[C@@H](C[C@@H]1O)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@H]2C ZINC000306146896 KJ Annotated Anodyne CC[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000306147234 KJ Annotated Anodyne CC[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000306147235 KJ Annotated Anodyne CC[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000306147236 KJ Annotated Anodyne CC[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000306147237 KJ Annotated Anodyne CC(C)N(CCNc1ccc(NCCN(C(C)C)C(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O)C(C)C ZINC000031440413 KJ Annotated Clean O=C1C(c2ccc(O)cc2)=C2C(=C(c3ccc(O)cc3)C(=O)N2CCc2ccc(OS(=O)(=O)O)cc2)c2c1[nH]c1c(OS(=O)(=O)O)cccc21 ZINC000031706127 KJ Annotated Mild COc1cc(-c2c3c4cc(OC)c(OS(=O)(=O)O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC)cc4c23)ccc1O ZINC000031706142 KJ Annotated Bother COc1cc(-c2c3n(c4c(=O)oc5cc(OS(=O)(=O)O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2OC)ccc1O ZINC000031706147 KJ Annotated Anodyne COc1ccc(-c2c3n(c4c(=O)oc5cc(OS(=O)(=O)O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2OC)cc1O ZINC000031706360 KJ Annotated Anodyne COc1c(OS(=O)(=O)O)cc(C/C=C(\C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O)c(CCN(C)C)c1Br ZINC000031708373 KJ Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21 ZINC000031895838 KJ Annotated Bother CC(=O)O[C@H]1CO[C@@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000031895842 KJ Annotated Bother CC(=O)O[C@@H]1[C@@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000031895846 KJ Annotated Bother CC(=O)O[C@H]1CO[C@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000031895851 KJ Annotated Bother CC(=O)OC[C@@H]1O[C@@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(/C)CC/C=C(/C)CC2)[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000031896409 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](OC(C)(C)CC/C=C(\C)[C@@H]2C/C=C(/C)CC/C=C(\C)CC2)[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000031896419 KJ Annotated Anodyne CC[C@@H]1C(=O)N[C@@H](Cc2[nH]c(/C=C3/N=C(C[C@H]4NC(=O)[C@H](C)[C@@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@H]1C ZINC000032789734 KJ Annotated Anodyne in-man endogenous CCC1=C(C)[C@H](CC2=N/C(=C\c3[nH]c(C[C@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000032789737 KJ Annotated Anodyne in-man endogenous CCC1=C(C)[C@H](CC2=N/C(=C\c3[nH]c(C[C@@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000032789740 KJ Annotated Anodyne in-man endogenous CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(/C(=C2/C=CC(=O)C=C2S(=O)(=O)O)c2ccc([N@@H+](CC)Cc3cccc(S(=O)(=O)O)c3)cc2)cc1 ZINC000328577261 KJ Annotated Mild CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4nc5c(C)cccc5s4)C3)c21 ZINC000033356037 KJ Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4nc5c(C)cccc5s4)C3)c21 ZINC000033356038 KJ Annotated Anodyne C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccn4)CC3)c1)c1cc(Br)ccc1O2 ZINC000033356247 KJ Annotated Anodyne Brc1cc2c(cc1/C=N\Nc1nc(Nc3ccccc3)nc(Nc3ccccc3)n1)OCO2 ZINC000033394473 KJ Annotated Mild Cc1cc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2cc(N)ccc2[n+]1C ZINC000033756289 KJ Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000033817447 KJ Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000033817448 KJ Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000033817449 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@@]1(C)O ZINC000033833645 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@@H](C)[C@@]1(C)O ZINC000033833649 KJ Annotated Anodyne COc1cc(N)cc2c(Nc3ccc(NC(=O)c4ccc(Nc5cc[n+](C)cc5)cc4)cc3)cc[n+](C)c12 ZINC000033857909 KJ Annotated Anodyne COc1cc(NC(=O)c2ccc(Nc3cc[n+](C)cc3)cc2)ccc1Nc1cc[n+](C)c2cc(N)ccc12 ZINC000033857917 KJ Annotated Anodyne COc1c(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc(Br)c1O ZINC000033909378 KJ Annotated Mild COC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCCCNc1ncc(C(F)(F)F)cc1Cl ZINC000033913753 KJ Annotated Anodyne COc1ccc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2cc(O)c(OC)cc2-3)cc1O ZINC000034026084 KJ Annotated Anodyne C=C(C)[C@H](CC[C@@]1(C)CC=C(COC(C)=O)C(=O)[C@@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C)OC(C)=O ZINC000034110309 KJ Annotated Mild C=C(C)[C@@H](CC[C@@]1(C)CC=C(COC(C)=O)C(=O)[C@@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C)OC(C)=O ZINC000034110311 KJ Annotated Mild COc1ccc(-c2cc(C(F)(F)F)n3ncc(/C(O)=N/Cc4ccc5c(c4)OCO5)c3n2)cc1OC ZINC000034138559 KJ Annotated Mild COC[C@H]1N=C(c2cc(OC)c(OC)c(OC)c2-c2cc3c(cc2[C@@H](C)O)OCO3)O[C@H]1c1ccccc1 ZINC000034171916 KJ Annotated Anodyne COC[C@H]1N=C(c2cc(OC)c(OC)c(OC)c2-c2cc3c(cc2[C@H](C)O)OCO3)O[C@H]1c1ccccc1 ZINC000034171918 KJ Annotated Anodyne C=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\C(=O)OC[C@@H]1O ZINC000034171942 KJ Annotated Mild C=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000034171944 KJ Annotated Mild in-vitro biogenic O=c1nc(NC2C[C@@H]3CC[C@H](C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1CC(F)(F)F ZINC000034177953 KJ Annotated Anodyne CC(C)N[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000034471231 KJ Annotated Anodyne CC(C)N[C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000034471232 KJ Annotated Anodyne Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H]3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 ZINC000034495709 KJ Annotated Anodyne Cc1cc(I)c2c(c1)CN1CN2Cc2cc(C)cc(I)c21 ZINC000034553854 KJ Annotated Anodyne CNCCCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000034561424 KJ Annotated Anodyne c1nc(-c2ccc(SCCN3CCOCC3)cc2)cc(-c2ccc(SCCN3CCOCC3)cc2)n1 ZINC000034602959 KJ Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(N)ccc43)cc2c1 ZINC000034608491 KJ Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(N)ccc43)cc2c1 ZINC000034608492 KJ Annotated Reactive COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2COC(=O)/C=C/c2ccc(O)cc2)ccc1O ZINC000034638173 KJ Annotated Anodyne COc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O ZINC000034746642 KJ Annotated Clean COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5ccccn5)c5ccccc5c4=O)c3)c2cc1OC ZINC000034799713 KJ Annotated Anodyne COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5ccncc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000034799716 KJ Annotated Anodyne C=CC[C@@H]1/C=C(\C)CCOC(=O)OC(=O)CCCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O ZINC000034799818 KJ Annotated Reactive C=CC[C@H]1/C=C(\C)CCOC(=O)OC(=O)CCCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O ZINC000034799819 KJ Annotated Reactive CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3 ZINC000034800342 KJ Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3 ZINC000034800344 KJ Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3 ZINC000034800536 KJ Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3 ZINC000034800537 KJ Annotated Mild COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 ZINC000034800770 KJ Annotated Anodyne O=C(Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1 ZINC000034800786 KJ Annotated Bother CCO/C(O)=C1\C(CS(=O)(=O)c2ccc(N)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802452 KJ Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccc(N)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802453 KJ Annotated Reactive NCCCC[C@H](NC(=O)c1cc(F)cc(F)c1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000034803970 KJ Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000034804006 KJ Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000034804029 KJ Annotated Anodyne NCCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000034804032 KJ Annotated Anodyne Cn1c(C(F)(F)c2nc3c(F)c(O)c(F)cc3[nH]2)nc2ccc(C(=O)NCCOc3ccc(F)cc3)cc21 ZINC000034804710 KJ Annotated Anodyne Cn1c(C(F)(F)c2nc3c(F)cc(F)cc3[nH]2)nc2ccc(C(=O)NCCOc3ccc(F)cc3)cc21 ZINC000034804713 KJ Annotated Anodyne Cn1c(C(F)(F)c2nc3c(F)cc(F)c(O)c3[nH]2)nc2ccc(C(=O)NCCOc3ccc(F)cc3)cc21 ZINC000034804719 KJ Annotated Anodyne CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804840 KJ Annotated Anodyne CS(=O)(=O)c1cccc(Oc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034819981 KJ Annotated Anodyne O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12 ZINC000034820234 KJ Annotated Anodyne CC/C(O)=N/S(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Br)cc2)cc1CO ZINC000034849774 KJ Annotated Mild CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1 ZINC000034860624 KJ Annotated Anodyne COc1ccc([C@H]2C=CC[C@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccccc2F)cc1 ZINC000034960787 KJ Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961535 KJ Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)/C=C/c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961641 KJ Annotated Anodyne COc1ccc(OC)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(OC)c(OC)c4)nc23)c1 ZINC000034982102 KJ Annotated Anodyne COc1cc(/C=C2\OC(C)(C)CN([C@H](c3cc(F)c(F)c(F)c3)[C@@H](C)O)C2=O)ccc1-n1cnc(C)c1 ZINC000034997316 KJ Annotated Anodyne COC(=O)c1cc(C(=CCCNC(C)=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000003581881 KJ Annotated Anodyne COC(=O)c1cc(C(=CCCCS(C)(=O)=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000003581883 KJ Annotated Anodyne CCN(CC)c1ccc(N(C(=O)c2cccs2)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000003648342 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1ccc(I)cc1 ZINC000003648344 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000003648346 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1cccc(Br)c1 ZINC000003648363 KJ Annotated Anodyne CC(C)N1CCN(c2ccc(OC[C@@H]3C[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000003793175 KJ Annotated Clean CCOP(=O)(Cc1ccc(NC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3C(=O)CS2)cc1)OCC ZINC000003803401 KJ Annotated Anodyne C[C@H]1N(C(=O)c2ccc(C(F)(F)F)cc2)CC(=O)O[C@@]1(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000003808249 KJ Annotated Anodyne CC[C@@H](CC1CCOCC1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000003815631 KJ Annotated Anodyne COc1ccc2c(O)c([C@H](c3cccc(NS(=O)(=O)c4ccc(C#N)cc4)c3)C3CC3)c(=O)oc2c1 ZINC000003815644 KJ Annotated Mild O=C1NC(=O)[C@](CC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(S(=O)(=O)c2ccccc2)S1 ZINC000003822876 KJ Annotated Mild CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 ZINC000003823558 KJ Annotated Anodyne in-vivo COc1cc(CN2C(=O)N(Cc3ccc(O)c(OC)c3)N(Cc3ccccc3)C[C@@H](O)[C@H]2Cc2ccccc2)ccc1O ZINC000003833857 KJ Annotated Anodyne in-vitro CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4F)C[C@@H]3C)c(=O)[nH]2)ccc1C ZINC000003839186 KJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C1CCCC1 ZINC000003914751 KJ Annotated Mild CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000003915796 KJ Annotated Anodyne CO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000003916351 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000003916433 KJ Annotated Anodyne Cn1cncc1CCNC(=O)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000003917288 KJ Annotated Anodyne O=C(NCCc1cnc[nH]1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000003917289 KJ Annotated Anodyne C[C@@H]1CC(C)(C)N[C@H](C[C@@H](O[P@](=O)(N(CCCl)CCCl)N2CCOCC2)c2ccccc2)O1 ZINC000003917660 KJ Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000003919624 KJ Annotated Anodyne CC(C)N1CCN(c2ccc(N3CCN(c4ccc(OC[C@@H]5OC[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C1=O ZINC000003920359 KJ Annotated Clean CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)NCCC(C)C)nnc12 ZINC000003920674 KJ Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000003925412 KJ Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000003925418 KJ Annotated Anodyne Cc1cc(=O)[nH]c2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000003925653 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)S(=O)(=O)c2ccc(Cl)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000003926613 KJ Annotated Anodyne CCN(CC)c1ncc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000003926627 KJ Annotated Anodyne Cc1cc(-c2c(OCC[C@@H]3CCN3)c3cc(C(=O)Nc4ccncn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000003927639 KJ Annotated Anodyne C=C1[C@H](O)[C@@H](OC(C)=O)/C=C(\C)CC[C@@H]2C([C@H](OC(C)=O)[C@@H](C=C(C)C)OC(=O)c3ccccc3)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000003928253 KJ Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000003928550 KJ Annotated Mild Cc1c(CO)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000003928723 KJ Annotated Anodyne COC(=O)c1[nH]c2c(c1C(=O)OC)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000003929856 KJ Annotated Mild COc1ccc(-c2c3c4cc(OC)c(OS(=O)(=O)O)cc4oc(=O)c3n3ccc4cc(OC)c(OC)cc4c23)cc1O ZINC000003931566 KJ Annotated Bother in-vitro CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000003932056 KJ Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(C)(=O)=O)n21 ZINC000003933074 KJ Annotated Anodyne O=C(OCc1ccccc1)c1cccc(CC(=O)N2C(=O)[C@@H](Cc3ccc(O)cc3)[C@H]2C(=O)OCc2ccccc2)c1 ZINC000003934219 KJ Annotated Anodyne CC1(C)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O ZINC000003937835 KJ Annotated Anodyne COc1ccc(CCNCCCN2C(=O)c3c(cc(N)c4nc(-c5ccc(C)c([N+](=O)[O-])c5)[nH]c34)C(C)(C)C2=O)cc1OC ZINC000003940085 KJ Annotated Bother Cc1c[nH]c2c(Cl)cc3c(c12)[C@@H](C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1)c1ncccc1CC3 ZINC000003941682 KJ Annotated Anodyne CC(=O)Nc1c(-c2ccccc2)cccc1S(=O)(=O)N[C@@H](CCCc1ccc(N)cn1)C(=O)N1CCC(=C(F)F)CC1 ZINC000003943549 KJ Annotated Anodyne O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC2CCCCCC2)cc(C(=O)O)c1 ZINC000003943550 KJ Annotated Anodyne Cc1cc(=O)c(O)cc2c1C[C@@H]1C[C@@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@@H]3CC(C)(C)/C=C/C[C@@]1(C)O2 ZINC000003944532 KJ Annotated Anodyne COC(=O)[C@@H]1C(/C=N/Nc2ccccc2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000003946720 KJ Annotated Mild C/C=C(\C)C(=O)N[C@H](C)C(=O)O[C@H]1C/C=C/C=C/C=C/[C@H](OC)CC(=O)Nc2cc(O)cc(c2O)CC/C=C(/C)[C@H](O)[C@H]1C ZINC000003946776 KJ Annotated Anodyne CSc1nc(/C=C(\C)[C@@H]2C[C@@H]3O[C@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000003948095 KJ Annotated Anodyne investigational COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl ZINC000003951332 KJ Annotated Anodyne COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1 ZINC000003952922 KJ Annotated Mild COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1F ZINC000003952923 KJ Annotated Mild CC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000003953206 KJ Annotated Anodyne COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O ZINC000003954792 KJ Annotated Anodyne C[C@@H]([C@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000003955156 KJ Annotated Anodyne C[C@H]([C@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000003955158 KJ Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000003955160 KJ Annotated Anodyne C[C@H]([C@@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000003955161 KJ Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000003955167 KJ Annotated Anodyne CCCN(CCOC)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000003955172 KJ Annotated Anodyne O=C(NCCCCc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000003955210 KJ Annotated Anodyne Cc1cccc(C)c1N1CCN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)CC1 ZINC000003955243 KJ Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000003955527 KJ Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000003956673 KJ Annotated Anodyne CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)Cc1ccccc1 ZINC000003960786 KJ Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](Cc1ccccc1)C(=O)O)C3=O ZINC000003961382 KJ Annotated Anodyne O=C(O)C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000003961995 KJ Annotated Anodyne CCCCn1nc(C[C@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1OCCc1ccc2c(n1)NCCC2 ZINC000003962002 KJ Annotated Anodyne CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000003964224 KJ Annotated Mild investigational Nc1ccn([C@@H]2S[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)c(=O)n1 ZINC000003964446 KJ Annotated Anodyne Cc1ccnc(NCCCC(=O)NCC(=O)N[C@@H](CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)c1 ZINC000003965844 KJ Annotated Anodyne Cc1nc2cc([C@@H]3C[C@@H]4O[C@]4(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O3)ccc2s1 ZINC000003976584 KJ Annotated Anodyne C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@]3(C)CC[C@@H]2[C@@]1(C)[C@H](CC(=O)OC)OC(C)=O ZINC000003978221 KJ Annotated Mild in-vitro C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@]3(C)CC[C@H]2[C@@]1(C)[C@H](CC(=O)OC)OC(C)=O ZINC000003978222 KJ Annotated Mild in-vitro COCCCCN(CC(=O)N[C@@H](CC(=O)O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000003981132 KJ Annotated Anodyne C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000003981837 KJ Annotated Mild CCCC[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc21)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 ZINC000003988881 KJ Annotated Anodyne CC1(C)Oc2ccc3c(=O)ccoc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000003991704 KJ Annotated Anodyne CCOC(=O)CCN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2ccncc2)CC1 ZINC000003992099 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2CCCN(C(=O)[C@H](N)C(C)C)C2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000003992662 KJ Annotated Mild investigational O=C(NCc1ccc(F)cc1)c1c(O)c2nc(Cc3ccc(F)cc3)sc2n(-c2ccccc2)c1=O ZINC000035010343 KJ Annotated Anodyne COc1cc(Cc2c3ccc(OC)c(=O)c-3cn3c2-c2cc4c(cc2CC3)OCO4)cc(OC)c1OC ZINC000035014879 KJ Annotated Anodyne CCOC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 ZINC000035090737 KJ Annotated Anodyne Cc1ccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@@H]2C)cc1 ZINC000035174425 KJ Annotated Anodyne Cc1ccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@H]2C)cc1 ZINC000035174428 KJ Annotated Anodyne COc1cc(CCN(C)C)c2c(c1O)Sc1c(CCN(C)C)c(SC)c(OC)c(OC)c1S2 ZINC000035274625 KJ Annotated Anodyne Cc1ccccc1NC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(C)c2C(=O)OC(C)C)C[C@@H]1C ZINC000035703002 KJ Annotated Anodyne Cc1ccccc1NC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(C)c2C(=O)OC(C)C)C[C@H]1C ZINC000035703005 KJ Annotated Anodyne CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](CC)C2)c(Cl)c1 ZINC000035836711 KJ Annotated Anodyne Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H]3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 ZINC000035923263 KJ Annotated Anodyne CN(C)CCNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000036144191 KJ Annotated Anodyne C/C=C/CN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1 ZINC000036161499 KJ Annotated Anodyne C=CCCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1 ZINC000036161638 KJ Annotated Mild CCC[C@@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175574 KJ Annotated Anodyne CCC[C@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175578 KJ Annotated Anodyne CC[C@@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175591 KJ Annotated Anodyne CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(CN[C@@H](CO)C(C)C)cc4)s3)cc(C)c2C)CC1 ZINC000036184848 KJ Annotated Anodyne CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(CN[C@H](CO)C(C)C)cc4)s3)cc(C)c2C)CC1 ZINC000036184849 KJ Annotated Anodyne O=C1NC(=O)C(c2c[nH]c3cccc(F)c23)=C1c1cn(CCO[C@@H](CCO)[C@@H]2COC3(CCCCC3)O2)c2ccccc12 ZINC000036187725 KJ Annotated Anodyne O=C1NC(=O)C(c2c[nH]c3cccc(F)c23)=C1c1cn(CCO[C@H](CCO)[C@@H]2COC3(CCCCC3)O2)c2ccccc12 ZINC000036187726 KJ Annotated Anodyne O=C1NC(=O)C(c2c[nH]c3cccc(F)c23)=C1c1cn(CCO[C@@H](CCO)[C@H]2COC3(CCCCC3)O2)c2ccccc12 ZINC000036187727 KJ Annotated Anodyne O=C1NC(=O)C(c2c[nH]c3cccc(F)c23)=C1c1cn(CCO[C@H](CCO)[C@H]2COC3(CCCCC3)O2)c2ccccc12 ZINC000036187728 KJ Annotated Anodyne CCOc1ccc(C2=N[C@H]3[C@]45CCN(C)[C@H](Cc6ccc(OC)c(O)c64)[C@]54C=C[C@@]3(OC)[C@@]2(C)C4)cc1 ZINC000036221415 KJ Annotated Anodyne COc1cc2cc(CO)c(CO)c(-c3cccc(-n4nc(-c5cccnc5)c5ccccc5c4=O)n3)c2cc1OC ZINC000036243133 KJ Annotated Anodyne O=C(O)C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(Cc2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000036269221 KJ Annotated Anodyne O=C(O)C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(Cc2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000036269226 KJ Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=C(/N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC ZINC000036284556 KJ Annotated Mild CCN(CC)CCC[C@H](C)/N=C(/N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC ZINC000036284562 KJ Annotated Mild COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCNC1CCCCC1 ZINC000036284639 KJ Annotated Mild CCN(CC)CCC[C@@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC ZINC000036284645 KJ Annotated Mild CCN(CC)CCC[C@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC ZINC000036284650 KJ Annotated Mild COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CCCCC1 ZINC000036284672 KJ Annotated Mild CN(C)Cc1ccc(CSCCNc2cc(Nc3ncccc3[N+](=O)[O-])c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000036286852 KJ Annotated Bother CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000036323604 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@@]2(CC[C@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000036323607 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000036323630 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@@]2(CC[C@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000036323634 KJ Annotated Anodyne CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Cl)c2ncn(Cc3c(F)cccc3F)c2c1 ZINC000036330260 KJ Annotated Anodyne CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Cl)c2c(c1)ncn2Cc1c(F)cccc1F ZINC000036330261 KJ Annotated Anodyne NC(=O)N1CCC[C@@H]2[C@H](C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@H]21 ZINC000036330374 KJ Annotated Anodyne NC(=O)N1CCC[C@@H]2[C@H](C(=O)N3CCN([C@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@H]21 ZINC000036330375 KJ Annotated Anodyne NC(=O)N1CCC[C@@H]2[C@@H](C(=O)N3CCN([C@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@H]21 ZINC000036330376 KJ Annotated Anodyne O=C(C[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccncc1)NC1CC1 ZINC000036330377 KJ Annotated Anodyne O=C(C[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccncc1)NC1CC1 ZINC000036330378 KJ Annotated Anodyne CCCCNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330381 KJ Annotated Anodyne CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)Nc1cnccn1 ZINC000036330387 KJ Annotated Anodyne CC(C)CC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330389 KJ Annotated Anodyne CCCNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330390 KJ Annotated Anodyne CC(C)CNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330391 KJ Annotated Anodyne CC(C)(C)NC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330392 KJ Annotated Anodyne CC(C)NC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330400 KJ Annotated Anodyne C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CC/C=C(\C)CNC(=O)c1cccc(C(=O)c2ccccc2)c1 ZINC000036330520 KJ Annotated Anodyne in-vivo O=C(OCC(F)(F)F)[C@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@H]1c1ccco1 ZINC000036348513 KJ Annotated Anodyne O=C(OCC(F)(F)F)[C@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@H]1c1ccco1 ZINC000036348517 KJ Annotated Anodyne O=C(OCC(F)(F)F)[C@@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@H]1c1ccco1 ZINC000036348521 KJ Annotated Anodyne O=C(OCC(F)(F)F)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@H]1c1ccco1 ZINC000036348525 KJ Annotated Anodyne COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC ZINC000036348714 KJ Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](N(C)C3CCOCC3)C2)C1 ZINC000036351570 KJ Annotated Anodyne CC(=O)N1CCC(N(C)[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1 ZINC000036351579 KJ Annotated Anodyne CCN(C)[C@@H]1CCN(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351593 KJ Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(C#N)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H](NCCCc3ccccc3)C2)C1 ZINC000036351602 KJ Annotated Mild CO/N=C/c1cccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)c4nc5cc(F)c(F)cc5[nH]4)C[C@H]2C3)c1 ZINC000036351717 KJ Annotated Mild CN1CCN(CCCN(c2nc3cc(F)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4ccc(C#N)cc4)C[C@H]23)CC1 ZINC000036351763 KJ Annotated Mild CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1 ZINC000036351820 KJ Annotated Mild CN1CCN(CCCN(c2nc3cc(F)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@H]23)CC1 ZINC000036351864 KJ Annotated Mild COC(=O)[C@@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1CN=[N+]=[N-] ZINC000036375520 KJ Annotated Clean CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375593 KJ Annotated Clean COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375671 KJ Annotated Clean COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000036375678 KJ Annotated Mild COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375723 KJ Annotated Clean COC(=O)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1CN=[N+]=[N-] ZINC000036375761 KJ Annotated Clean CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036376052 KJ Annotated Clean CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)N/C1=N\Cc1cc(OC)c(OC)c(OC)c1 ZINC000036379164 KJ Annotated Mild COc1cc2c(cc1OC)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)CCC2 ZINC000036379183 KJ Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000036379213 KJ Annotated Mild N#Cc1ccc2c(c1)C[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3c(c(=O)oc4ccccc34)[C@H]2O1 ZINC000036379235 KJ Annotated Mild CC1(C)CCc2cc(S(=O)(=O)N3CCN(c4nc(-c5cccs5)nc5ccccc45)CC3)ccc2O1 ZINC000036381534 KJ Annotated Anodyne CCCCCCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(Cc1ccccc1)c1ccccc13 ZINC000036381578 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)c2c(Br)cccc21 ZINC000036381951 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000036381967 KJ Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382460 KJ Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382461 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(c3nc(N(C)c4cc(Cl)ccc4O)nc4ccccc34)CC2)cc1 ZINC000036382626 KJ Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000036384334 KJ Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000036384348 KJ Annotated Anodyne CC(=O)Nc1ccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@@H](CC[C@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N23)cc1 ZINC000036384599 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)N[C@@]2(CC(C)C)C(=O)OC ZINC000036386431 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)N1CCCC[C@@]21C(=O)OC ZINC000036386495 KJ Annotated Anodyne CCCCCCSc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386538 KJ Annotated Anodyne COc1ccccc1CNC(=O)c1cc(-c2ccccc2C)n(C[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)n1 ZINC000036387278 KJ Annotated Bother COc1ccccc1CNC(=O)c1cc(-c2ccccc2C)n(C[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)n1 ZINC000036387279 KJ Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2cccs2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000036387282 KJ Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2cccs2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000036387283 KJ Annotated Bother COc1cc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000036387303 KJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)/C=C/c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388459 KJ Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000036388515 KJ Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000036388569 KJ Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(Cc3ccc(Cl)cc3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036389051 KJ Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(Cc3ccc(S(=O)(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21 ZINC000036415352 KJ Annotated Anodyne CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)N[C@H](CN)c4cccc(NC(=O)c5cnccn5)c4)cc3cc2C1 ZINC000036474920 KJ Annotated Anodyne in-vivo O=c1oc(/C=C/c2ccc(O)c(O)c2)cc(O)c1-c1cc(O)c(O)cc1/C=C/c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1 ZINC000036990492 KJ Annotated Clean in-vivo CC1=C(CCCCC(=O)NCCCNCCCNC(=O)CCCCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000037858542 KJ Annotated Mild Cn1c2ccccc2c(=Nc2ccc(NC(=O)Nc3ccc(NC(=N)NC(=N)N)cc3)cc2)c2ccc(N)cc21 ZINC000377472662 KJ Annotated Bother CC(=O)OC[C@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6cn(Cc7ccccc7)ccc-6nc5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000377814551 KJ Annotated Bother Cc1cc(-c2cccc(Oc3ccc(OP(=O)(O)O)cc3)c2)nc(N=C2C=CC(=C3N=NNN3)C=C2)n1 ZINC000377815944 KJ Annotated Mild CN1C=CC(=C2C3=NC(=C(c4cc[n+](C)cc4)C4=NC(=C(c5cc[n+](C)cc5)C5=NC(=C(c6cc[n+](C)cc6)[C@H]6C=C[C@H]2N6)C=C5)C=C4)C=C3)C=C1 ZINC000377843308 KJ Annotated Clean CN1C=CC=C/C1=C1/C2=NC(=C(c3cccc[n+]3C)C3=NC(=C(c4cccc[n+]4C)C4=NC(=C(c5cccc[n+]5C)[C@H]5C=C[C@H]1N5)C=C4)C=C3)C=C2 ZINC000377844317 KJ Annotated Anodyne C1=CN2CCC3(CCN4C=CC(=NCCC5(CCN=C1c1ccccc12)OCCO5)c1ccccc14)OCCO3 ZINC000377845833 KJ Annotated Anodyne CCCCCCCCCCC[C@H](OC(=O)CCC(=O)N1CCN([N+](=O)NOC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000377848786 KJ Annotated Mild CCCCCCCCCCC[C@@H](OC(=O)CCC(=O)N1CCN([N+](=O)NOC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000377848787 KJ Annotated Mild CCCCCCCCCCC[C@H](OC(=O)CC(=O)N1CCN([N+](=O)NOC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000377848790 KJ Annotated Mild CCCCCCCCCCC[C@@H](OC(=O)CC(=O)N1CCN([N+](=O)NOC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000377848791 KJ Annotated Mild Cn1ccc(=Nc2ccc(NC(=O)c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](C)cc5)c(N)c4)cc3)cc2N)cc1 ZINC000377848859 KJ Annotated Anodyne CC(NNC(=N)N)=C1C=CC(=NC(=O)Nc2ccc(N=c3c4ccccc4n(C)c4cc(N)ccc34)cc2)C=C1 ZINC000377848919 KJ Annotated Mild COc1cc(N)cc2c(=Nc3ccc(NC(=O)c4ccc(N=c5ccn(C)cc5)cc4)cc3)ccn(C)c12 ZINC000377848936 KJ Annotated Anodyne COc1cc(NC(=O)c2ccc(Nc3cc[n+](C)cc3)cc2)ccc1N=c1ccn(C)c2cc(N)ccc12 ZINC000377848940 KJ Annotated Anodyne Cc1cc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2cc(N)ccc2n1C ZINC000377848947 KJ Annotated Anodyne Cn1c(-c2ccc(C=N[N]C(=O)c3ccc(C(=O)[N]N=Cc4ccc(-c5c[n+]6ccccc6n5C)cc4)cc3)cc2)c[n+]2ccccc12 ZINC000377852793 KJ Annotated Reactive O=N/C=C1\CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)[N+]2\C1=C(/O)OC(c1ccccc1)c1ccccc1 ZINC000377853479 KJ Annotated Anodyne O=N/C=C1/CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)[N+]2/C1=C(/O)OC(c1ccccc1)c1ccccc1 ZINC000377853481 KJ Annotated Anodyne Cc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000038139256 KJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)c1ccccc1C2=O ZINC000038139886 KJ Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C ZINC000038140029 KJ Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C ZINC000038140033 KJ Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C ZINC000038140035 KJ Annotated Mild CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](OCOC)CC(=O)O1 ZINC000038140039 KJ Annotated Mild COc1ccccc1[C@@H]1C(c2ccccc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000038140534 KJ Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1 ZINC000038140552 KJ Annotated Bother aggregator COc1ccccc1[C@@H]1C(c2ccc(F)cc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000038140565 KJ Annotated Anodyne aggregator O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000038140987 KJ Annotated Anodyne O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000038140989 KJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)c3cccc4cccnc34)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141680 KJ Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3cccc4cccnc34)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141681 KJ Annotated Anodyne CC(C)(C)NS(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2-c2ccc(F)cc2)c1 ZINC000038142044 KJ Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(Nc3cc(Cl)ccc3O)nc3ccccc23)CC1 ZINC000038142077 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(CC=C(C)C)c3ccccc3[C@@]23CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C3=N1 ZINC000038142202 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000038142358 KJ Annotated Anodyne COc1ccc(Cl)cc1N(C)c1nc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc2n1 ZINC000038142945 KJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCN(CCCl)CCCl)ccc(NCCN(CCCl)CCCl)c21 ZINC000038143216 KJ Annotated Reactive O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2C[C@]12N=C(c1ccc(OCCCO)cc1)O[C@@H]2c1ccccc1 ZINC000038143897 KJ Annotated Anodyne CC(C)(C)OC(=O)CC[C@@]12N=C(c3ccc(OCCCO)cc3)O[C@@H]1c1ccccc1N(CCS(=O)(=O)c1ccccc1)C2=O ZINC000038143923 KJ Annotated Anodyne O=C(NCc1ccccc1)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038143931 KJ Annotated Anodyne COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1CN=[N+]=[N-] ZINC000038143946 KJ Annotated Clean COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1CN=[N+]=[N-] ZINC000038143947 KJ Annotated Clean O=C(NCc1ccccc1)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038143950 KJ Annotated Anodyne O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2C[C@@]12N=C(c1ccc(OCCCO)cc1)O[C@H]2c1ccccc1 ZINC000038143961 KJ Annotated Anodyne O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]12Cc1ccccc1 ZINC000038143986 KJ Annotated Anodyne O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]12Cc1ccccc1 ZINC000038144000 KJ Annotated Anodyne COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1CN=[N+]=[N-] ZINC000038144001 KJ Annotated Clean COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1CN=[N+]=[N-] ZINC000038144003 KJ Annotated Clean COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1N=[N+]=[N-] ZINC000038144020 KJ Annotated Mild COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000038144035 KJ Annotated Mild O=C(N1CCCCC1)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038144051 KJ Annotated Anodyne CCc1cccc(NC(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3)[C@@H](OC(=O)Nc3ccccc3)[C@@H](OC)O[C@@H]2CO)c1 ZINC000038144067 KJ Annotated Anodyne [N-]=[N+]=Nc1ccccc1C[C@@]1(C(=O)N2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038144072 KJ Annotated Mild [N-]=[N+]=Nc1ccccc1C[C@]1(C(=O)N2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038144083 KJ Annotated Mild [N-]=[N+]=NCc1ccccc1C[C@]1(C(=O)N2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038144091 KJ Annotated Clean COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038144102 KJ Annotated Clean O=C(c1ccccc1)N1Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]2(CCS(=O)(=O)c2ccccc2)C1=O ZINC000038144108 KJ Annotated Anodyne O=C(c1ccccc1)N1Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]2(CCS(=O)(=O)c2ccccc2)C1=O ZINC000038144125 KJ Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038144152 KJ Annotated Clean [N-]=[N+]=NCc1ccccc1C[C@@]1(C(=O)N2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038144179 KJ Annotated Clean O=C(N1CCCCC1)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038144182 KJ Annotated Anodyne Cc1ccc(S[C@]2(C(=O)NC(C)C)CC(=O)N(C(C)C)[C@@H]2c2ccc(CO)cc2I)cc1 ZINC000038144228 KJ Annotated Anodyne COc1ccccc1CN1C(=O)c2ccccc2[C@@]2(Cc3ccccc3N(CCN3CCOCC3)C2=O)[C@@H]1c1ccc(CO)cc1 ZINC000038144312 KJ Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000038144407 KJ Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000038144412 KJ Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)O)[C@H]12 ZINC000038144415 KJ Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccc(O)cc1 ZINC000038144421 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)N1CCCC[C@@]21C(=O)OC ZINC000038144581 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(SC3CCCCC3)c(OC)c1)N[C@@]2(Cc1ccccc1)C(=O)OC ZINC000038144582 KJ Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](/C=C/c1ccccc1)N1C(=O)CN(Cc3ccc(-c4ccccc4)cc3)C(=O)[C@@]21Cc1ccccc1 ZINC000038145419 KJ Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(Cc4ccc(-c5ccccc5)cc4)CC(=O)N23)o1 ZINC000038145439 KJ Annotated Anodyne CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000038145479 KJ Annotated Reactive CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000038145480 KJ Annotated Reactive CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000038145484 KJ Annotated Reactive CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000038145485 KJ Annotated Reactive COC(=O)C1=C(c2cccc3c2S(=O)(=O)c2ccccc2-3)C[C@@H]2CC[C@H]1N2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000038146059 KJ Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(CCc3c[nH]c4ccccc34)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000038146120 KJ Annotated Anodyne C=CCN1C(=O)N[C@](c2ccc(OC)cc2)(C(F)(F)F)S/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000038146198 KJ Annotated Reactive C=CCN1C(=O)N[C@@](c2ccc(OC)cc2)(C(F)(F)F)S/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000038146199 KJ Annotated Reactive COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/OC[C@@H](O)COCc2ccco2)cc1 ZINC000038146292 KJ Annotated Mild CC[n+]1c(/C=c2/s/c(=C3/Sc4ccccc4N3C)c(=O)n2-c2ccccc2)sc2ccccc21 ZINC000038146308 KJ Annotated Anodyne CCCC[n+]1c(/C=c2/s/c(=C\C=C3/SCCN3CC)c(=O)n2CC)sc2c3ccccc3ccc21 ZINC000038146398 KJ Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC/C=C\CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000038148669 KJ Annotated Anodyne CO[C@H]1COC(=O)[C@H](OCc2ccccc2)/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000038149097 KJ Annotated Anodyne C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000038149172 KJ Annotated Mild CCc1ccc(NC(=O)Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 ZINC000038150055 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@]12C ZINC000038151033 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@]12C ZINC000038151034 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]12C ZINC000038151035 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@]12C ZINC000038151036 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@]12C ZINC000038151037 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000038151038 KJ Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(OC)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151043 KJ Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Br)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21C ZINC000038151045 KJ Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1cccc(C)c1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000038151049 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4cccc(F)c4)C(=O)N23)cc1 ZINC000038151052 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4cccc(F)c4)C(=O)N23)cc1 ZINC000038151065 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038151066 KJ Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151072 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000038151073 KJ Annotated Anodyne CC(C)C[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000038151144 KJ Annotated Anodyne CC(C)C[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000038151145 KJ Annotated Anodyne CC[C@@]12C(=O)N(c3ccc(C)cc3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151153 KJ Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4ccc(Br)cc4)C(=O)N23)c1 ZINC000038152042 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccccc4)C(=O)N23)cc1 ZINC000038152050 KJ Annotated Anodyne CC[C@@]12C(=O)N(c3ccc(C)cc3)C(=O)N1[C@H](c1cccc(C)c1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000038152054 KJ Annotated Anodyne CC[C@@]12C(=O)N(c3ccccc3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038152062 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(Br)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000038152068 KJ Annotated Anodyne CC[C@@]12C(=O)N(c3ccc(OC)cc3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038152075 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccccc3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038152079 KJ Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(C)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038152085 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccc(OC)cc4)C(=O)N23)cc1 ZINC000038152095 KJ 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(C)C ZINC000038152097 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4cccc(C)c4)C(=O)N23)cc1 ZINC000038152110 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(Br)c3)C(=O)[C@@]21CC(C)C ZINC000038152112 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccc(C)cc4)C(=O)N23)cc1 ZINC000038152116 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038152118 KJ Annotated Anodyne CN(C[C@](C)(CCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152405 KJ Annotated Anodyne CN(C[C@](C)(CCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152406 KJ Annotated Anodyne CN(C[C@](C)(CCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152407 KJ Annotated Anodyne CN(C[C@@H](CCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152415 KJ Annotated Anodyne CN(C[C@@H](CCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152416 KJ Annotated Anodyne CN(C[C@@H](CCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152417 KJ Annotated Anodyne CN1c2ccc(CNCCCCCCCNCC3=N[C@@H]4[C@@H](C=C3)N(C)c3ncccc3N4C)nc2N(C)c2cccnc21 ZINC000038152865 KJ Annotated Clean CN1c2ccc(CNCCCCCCCNCC3=N[C@@H]4[C@H](C=C3)N(C)c3ncccc3N4C)nc2N(C)c2cccnc21 ZINC000038152869 KJ Annotated Clean CN1c2cccnc2N(C)c2nc(CNCCCCCCCNCC3=N[C@@H]4[C@@H](C=C3)N(C)c3cccnc3N4C)ccc21 ZINC000038152878 KJ Annotated Clean CN1c2cccnc2N(C)c2nc(CNCCCCCCCNCC3=N[C@@H]4[C@H](C=C3)N(C)c3cccnc3N4C)ccc21 ZINC000038152881 KJ Annotated Clean CCOC(=O)/C1=C\[C@H]2[C@@H](C[C@H](OC(=O)/C=C/c3cn(C)cn3)[C@]3(C)C=C[C@@]1(OC)O3)C(C)=CC[C@@H]2C(C)C ZINC000038154023 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000038155110 KJ Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000038155171 KJ Annotated Clean CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038156564 KJ Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000038159384 KJ Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000038159385 KJ Annotated Anodyne COC(=O)c1c(-c2ccc(O)c(OC)c2)c(-c2ccc(O)c(OC)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000038212109 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)C=C(C)C)[C@@](C)(O)[C@@H](C)C2 ZINC000038321736 KJ Annotated Anodyne in-vitro biogenic O=C(NCCc1c[nH]cn1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372491 KJ Annotated Anodyne O=C(NCCc1c[nH]cn1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372492 KJ Annotated Anodyne COC(=O)CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000038372501 KJ Annotated Anodyne CC(=O)CCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000038372502 KJ Annotated Anodyne CS(=O)(=O)NCCc1ccc(NC(=O)c2ccc(O)c3[nH]c(-c4ccc(Cl)cc4Cl)nc23)cc1 ZINC000038433279 KJ Annotated Anodyne O=C1CSc2ccc(CNC3CCN(CCc4c(Cl)cnc5ccc(Cl)cc45)CC3)nc2N1 ZINC000038579458 KJ Annotated Anodyne COC(=O)[C@@]1(C)C[C@H]2[C@]3(C)CC[C@]4(C)C(=CC(=O)c5c4cc(O)c(OC)c5C)C3=C(C)C[C@@]2(C)C(=O)[C@@H]1O ZINC000038750914 KJ Annotated Mild in-vitro biogenic O=C(NCC(F)(F)F)c1cn(-c2cccc(-c3ccc([C@@H]4C[C@H]4C(=O)O)cc3)c2)c2ncccc2c1=O ZINC000038853301 KJ Annotated Anodyne CC(=O)C[C@@H]1C(=O)C(COC(C)=O)=CC[C@](C)(C/C=C/C(C)(C)OC(C)=O)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000038854332 KJ Annotated Mild COC(=O)[C@@]12C(OC)=C(C)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C ZINC000038858647 KJ Annotated Anodyne COC(=O)[C@@]12C(=O)C(C)=C(OC)[C@]1(C)C(C)=C[C@H]1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C ZINC000038858650 KJ Annotated Anodyne CNCCc1cn(-c2cccc3c2N[C@H]2N(C)CC[C@@]32n2cc(CCNC)c3ccccc32)c2ccccc12 ZINC000038876472 KJ Annotated Anodyne CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)[C@@H](c1ccc(F)c(F)c1)N1CCCC1=O ZINC000038914009 KJ Annotated Anodyne CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)[C@H](c1ccc(F)c(F)c1)N1CCCC1=O ZINC000038914010 KJ Annotated Anodyne O=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1 ZINC000038995990 KJ Annotated Anodyne Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2cc(C(=O)NN3CCOCC3)cc(-c3ccccc3)c2o1 ZINC000039029984 KJ Annotated Anodyne Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(C#N)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000039187973 KJ Annotated Mild CCOc1nc(N[C@@H](Cc2ccc3c(c2)COC(C)(C)O3)C(=O)NC)nc(-n2cnc3ccc(C(=O)N4CCCc5ccccc54)cc32)n1 ZINC000039287486 KJ Annotated Anodyne Cc1cccc(N2CCN(c3ccc4[nH]c(=O)c(CCCCNC(=O)OCc5ccccc5)nc4n3)C[C@@H]2C)c1 ZINC000004035951 KJ Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000004036370 KJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000004037155 KJ Annotated Bother CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000004037161 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004037165 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004037169 KJ Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004041610 KJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004041613 KJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004041617 KJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004041623 KJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004042175 KJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004042185 KJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004042196 KJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004042203 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004042331 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004042342 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004042355 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004042362 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042442 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042456 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042481 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042498 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000004042802 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000004042809 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042853 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042855 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004042864 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004042866 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004042949 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004042955 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004042971 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004042977 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043355 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043357 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043360 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043367 KJ Annotated Bother CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004043882 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004043892 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004043897 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004043909 KJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004044056 KJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004044058 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004044384 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004044385 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004044387 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004044389 KJ Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004044423 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004044425 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004044427 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004044431 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044671 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044675 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044680 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044686 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000004044751 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000004044754 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000004044761 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000004044764 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044852 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044854 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044855 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044856 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004044895 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004044896 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004044897 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004044899 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004045312 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004045317 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004045322 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004045325 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045403 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045405 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045408 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045413 KJ Annotated Bother COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004045486 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004045488 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004045490 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045503 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045505 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045506 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045521 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045522 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045523 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045524 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045525 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045526 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045527 KJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004045713 KJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004045715 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004045756 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004045757 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000004045857 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000004045858 KJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004045902 KJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004045906 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004045951 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004045953 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004046028 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004046032 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004046034 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004046036 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004046066 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004046069 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004046074 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004046077 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004046153 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004046154 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004046155 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004046157 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000004046158 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000004046159 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000004046161 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000004046162 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046236 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046237 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046240 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046246 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004046249 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004046250 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004046256 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004046258 KJ Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004046430 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004046432 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004046477 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004046478 KJ Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004048711 KJ Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004048712 KJ Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000004048713 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000004048714 KJ Annotated Anodyne COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)cc1OC ZINC000004048847 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000004049718 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000004049719 KJ Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004049730 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004049731 KJ Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000004051134 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000004051136 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000004051141 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000004051144 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004051248 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004051250 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004051257 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004051310 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004051311 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004051313 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004051315 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004051840 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004051842 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004051844 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004052188 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004052191 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004052372 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004052378 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004052418 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004052419 KJ Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004052548 KJ Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004052550 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004052553 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004052554 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004052558 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004052563 KJ Annotated Bother COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004052748 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004052759 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004052817 KJ Annotated Bother COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004052818 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004052894 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004052898 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004052931 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004052933 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004052986 KJ Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004052987 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004053390 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004053391 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004053393 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004053394 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004053491 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004053492 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004053624 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004053627 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004054094 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004054096 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004054837 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004054841 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004054844 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004054847 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055134 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055135 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004055136 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004055137 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000004055292 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000004055293 KJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055302 KJ Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055303 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004055304 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004055305 KJ Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000004055425 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000004055426 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000004055427 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055648 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055649 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055650 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055651 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004055936 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004055937 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004055938 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004055939 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000004055971 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000004055972 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000004055973 KJ Annotated Anodyne COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004056006 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004056007 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004056008 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004056009 KJ Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000004056058 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000004056059 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000004056060 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004056064 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004056065 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004056066 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004056067 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004075418 KJ Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004075419 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)c1 ZINC000004075426 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)c1 ZINC000004075427 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000004075434 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000004075435 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004075438 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004075439 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004075446 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004075447 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000004075454 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000004075455 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004075458 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004075459 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075605 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075606 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000004075617 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000004075618 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004075751 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004075754 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004075758 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004075763 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004075833 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004075838 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004075852 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004075866 KJ Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004076025 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004076028 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004076032 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004076035 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004076049 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004076054 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004076062 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004076067 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076170 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076177 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076181 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076185 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004076198 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004076201 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004076207 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004076210 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076375 KJ Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076389 KJ Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076401 KJ Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076407 KJ Annotated Bother CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004076458 KJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004076461 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004076578 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004076580 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004077370 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004077379 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004077388 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004077470 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004077478 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)c1OC ZINC000004078108 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)c1OC ZINC000004078117 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)c1OC ZINC000004078146 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)c1OC ZINC000004078154 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078194 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078200 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078209 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078221 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000004078303 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000004078325 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2OC)ccc1OC ZINC000004078560 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2OC)ccc1OC ZINC000004078583 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004078769 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004078778 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004078800 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004078823 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000004078844 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000004078860 KJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004079055 KJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004079077 KJ Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004079093 KJ Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004079109 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000004079170 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000004079181 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000004079209 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000004079231 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000004079448 KJ Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000004079452 KJ Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004079529 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004079536 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000004079673 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000004079678 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000004079713 KJ Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000004079721 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004079769 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004079786 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079857 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079859 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079861 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079863 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079897 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079903 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079905 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079906 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080047 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080049 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080091 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080092 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080108 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080109 KJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000004080185 KJ Annotated Bother CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000004080186 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004080188 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004080189 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080346 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080348 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080349 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080350 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004080850 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004080851 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004080853 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004080855 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004080918 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004080921 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004080927 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000004080928 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000004080929 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004080930 KJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004080943 KJ Annotated Bother O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004080944 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000004080949 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000004080950 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000004080969 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000004080972 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004081023 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004081025 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000004081044 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004081047 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004081048 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004081050 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000004081051 KJ Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004081146 KJ Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004081150 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081175 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081177 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081179 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081181 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004081288 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004081291 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004081295 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004081296 KJ Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081691 KJ Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081692 KJ Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081694 KJ Annotated Bother Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2 ZINC000004096059 KJ Annotated Anodyne in-man endogenous Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)C2 ZINC000004096877 KJ Annotated Anodyne in-man endogenous C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@@H](N)C(C)C)[C@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000004102317 KJ Annotated Mild in-man CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCN(CC)CC ZINC000004152048 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152049 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCN(CC)CC ZINC000004152050 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152051 KJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004152696 KJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004152698 KJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004152700 KJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004152702 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152735 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152737 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152762 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152764 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153126 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153127 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153555 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153556 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153557 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153558 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153579 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153580 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153581 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153582 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153618 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153619 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153620 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153621 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153639 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153640 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153641 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153642 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153726 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153727 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153728 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004153745 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004153746 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004153747 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004153748 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153895 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153896 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153897 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153898 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153953 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153954 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153955 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153956 KJ Annotated Bother CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004154017 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004154018 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004154019 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154024 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154025 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154026 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154027 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154083 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154084 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154085 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154086 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154095 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154096 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154097 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154098 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004154103 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004154104 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004154105 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004154106 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154155 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154156 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154157 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154158 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154167 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154168 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154169 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154170 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004154175 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004154176 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004154177 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004154178 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004154203 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004154204 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004154205 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004154206 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004154215 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004154216 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004154217 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004154218 KJ Annotated Bother CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004154357 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004154358 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004154359 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004154360 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154361 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154362 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000004154393 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000004154394 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000004154395 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000004154396 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154397 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154398 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154855 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154866 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154994 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154997 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004155124 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004155125 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004155127 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004155132 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000004155148 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000004155149 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000004155150 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000004155151 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004155152 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004155153 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004155154 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004155155 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155172 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155173 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccccc1OC ZINC000004155174 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccccc1OC ZINC000004155175 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004172828 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004172829 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004172888 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004172889 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004172890 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004172891 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004172912 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004172913 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004172914 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004172915 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173000 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173001 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004173002 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004173003 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173070 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173071 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004173072 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004173073 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000004173122 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000004173123 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000004173124 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000004173125 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004173156 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004173157 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004173158 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004173159 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004173196 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004173197 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NCCc2ccc(OC)c(OC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004173198 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NCCc2ccc(OC)c(OC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004173199 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004173200 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004173201 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004173206 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004173207 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004173210 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004173211 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004182731 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004182733 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004182747 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004182748 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004182780 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004182783 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(C)=O)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004182832 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(C)=O)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004182835 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000004184369 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000004184373 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000004184380 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000004184389 KJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004188975 KJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004188978 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004188988 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004188993 KJ Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189600 KJ Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189608 KJ Annotated Anodyne COC(=O)c1c(-c2cc(O)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000004199935 KJ Annotated Clean COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1 ZINC000004199936 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004201091 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004201168 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004201170 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004201171 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004201173 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004201196 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004201202 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004201257 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004201259 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004201583 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004201590 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004201784 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004201794 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000004201802 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000004201810 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004201988 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004201989 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004202015 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004202049 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004202051 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000004202052 KJ Annotated Clean CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000004202055 KJ Annotated Clean CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004202188 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004202189 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004202190 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004202191 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204460 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204461 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204462 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204488 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204489 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204490 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204494 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204495 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204497 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204498 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204509 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204510 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204512 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204513 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004204518 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004204519 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004204520 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004204522 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204860 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204863 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204864 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204905 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204908 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204909 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204913 KJ Annotated Bother CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000004204969 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000004204972 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000004204975 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000004204979 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204981 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204983 KJ Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004205068 KJ Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205069 KJ Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004205071 KJ Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205075 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004205694 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004205696 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004205699 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004205700 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004206495 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004206497 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004206500 KJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004206502 KJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206898 KJ Annotated Bother O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206901 KJ Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004206909 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004206911 KJ Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000004207186 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000004207187 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000004207189 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000004207190 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207597 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207598 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207599 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207600 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004208031 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004208032 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004208033 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004208034 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000004208086 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000004208090 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000004208091 KJ Annotated Anodyne COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004208167 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004208169 KJ Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004208172 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004208174 KJ Annotated Bother COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000004208233 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000004208234 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000004208235 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000004208236 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004208241 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004208242 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004208243 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004208244 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004208351 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004208352 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004208353 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004208354 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004208391 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004208392 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004208393 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004208394 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208414 KJ Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208415 KJ Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208416 KJ Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208417 KJ Annotated Bother CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004208506 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004208507 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000004208508 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)c1OC ZINC000004208612 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)c1OC ZINC000004208613 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)c1OC ZINC000004208614 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)c1OC ZINC000004208615 KJ Annotated Anodyne COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000004208624 KJ Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000004208625 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000004208654 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000004208655 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000004208672 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000004208673 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000004208674 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000004208675 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000004208684 KJ Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000004208685 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004208716 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004208717 KJ Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000004209570 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000004209579 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000004209585 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000004209591 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000004210586 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000004210594 KJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004210656 KJ Annotated Bother O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004210671 KJ Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000004210687 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000004210693 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000004210940 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000004210955 KJ Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004211072 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004211075 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004211108 KJ Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004211114 KJ Annotated Bother COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004211274 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004211279 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004211283 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004211288 KJ Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211791 KJ Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211793 KJ Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211798 KJ Annotated Bother CCN(CC)CCn1c2c(c3ccc(OC)cc31)CCN1C[C@H]3C[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H](OC)[C@H](C(=O)OC)[C@@H]3C[C@@H]21 ZINC000004212148 KJ Annotated Anodyne in-man CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212636 KJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212639 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCN(CC)CC ZINC000004212642 KJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCN(CC)CC ZINC000004212643 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214127 KJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214129 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214131 KJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214133 KJ Annotated Anodyne CC[C@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000004214686 KJ Annotated Clean CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215505 KJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215507 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215508 KJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215510 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215537 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215538 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215540 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215542 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216841 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216847 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216857 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216864 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216956 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216959 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216961 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216964 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217056 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217058 KJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217061 KJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217065 KJ Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000004229377 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000004229378 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000004229379 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000004229383 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000004229517 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)cc2OC)c1 ZINC000004296475 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000004296476 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)cc(OC)c1 ZINC000004296511 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)cc2OC)cc(OC)c1 ZINC000004296512 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004296567 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004296568 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004296569 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004296747 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004296748 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004296749 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004296750 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)cc2OC)c1 ZINC000004297010 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000004297011 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1)C(=O)c1ccccc1 ZINC000004297330 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1)C(=O)c1ccccc1 ZINC000004297331 KJ Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1)C(=O)c1ccccc1 ZINC000004297332 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1)C(=O)c1ccccc1 ZINC000004297333 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1N)OCC ZINC000004297334 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1N)OCC ZINC000004297335 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1N)OCC ZINC000004297336 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1N)OCC ZINC000004297337 KJ Annotated Anodyne CN=C(S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000004297935 KJ Annotated Mild CN=C(S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000004297940 KJ Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(S)=NC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298130 KJ Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(S)=NC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298132 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298168 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298169 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298170 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298171 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004298174 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004298175 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298190 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298191 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298192 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298193 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004298196 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004298197 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298274 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298275 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298276 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298277 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)cc2OC)cc(OC)c1 ZINC000004310301 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)cc2OC)cc(OC)c1 ZINC000004310302 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004310357 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004310358 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004310359 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000004310372 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000004310373 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004310650 KJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004310651 KJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004310652 KJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004310653 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(N)cc1)OCC ZINC000004313451 KJ Annotated Clean CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(N)cc1)OCC ZINC000004313457 KJ Annotated Clean CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(N)cc1)OCC ZINC000004313464 KJ Annotated Clean CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(N)cc1)OCC ZINC000004313468 KJ Annotated Clean COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000004313950 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314593 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314607 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314623 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314631 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314643 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314652 KJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004314668 KJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004314672 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315406 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315408 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315413 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315419 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004315444 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000004315449 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004315453 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000004315458 KJ Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000004320537 KJ Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004320539 KJ Annotated Bother CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000004325948 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000004325951 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000004325954 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000004325959 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004326349 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004326358 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004326413 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004326419 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004326478 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004326487 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004326618 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004326625 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004326755 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004326760 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004326766 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004326775 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327014 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327028 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004327030 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004327040 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327646 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327651 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004327658 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004327664 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327762 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327767 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004327771 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004327778 KJ Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004328023 KJ Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004328027 KJ Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004328030 KJ Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004328033 KJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004328081 KJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004328088 KJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004328102 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004333010 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004333028 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000004333125 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000004333128 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000004333130 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000004333132 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000004333243 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000004333245 KJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004334151 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004334318 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004334323 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004334327 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004334331 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004334388 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004334391 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004334392 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004334393 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000004334409 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000004334410 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000004334411 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000004334412 KJ Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004337161 KJ Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004337168 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004337235 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004337239 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004337242 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004337245 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004338604 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004338610 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004338617 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004338624 KJ Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347101 KJ Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347110 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347265 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347267 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347268 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347273 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347420 KJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347421 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004353884 KJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004353894 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354046 KJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354051 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354056 KJ Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354062 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354529 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354533 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354538 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354545 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354818 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354831 KJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000004355084 KJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000004355089 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355109 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355119 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004355128 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004355137 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356217 KJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356223 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356246 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356251 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356256 KJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356261 KJ Annotated Anodyne COCCCN(/C(S)=N\c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000004356454 KJ Annotated Mild COCCCN(C(S)=Nc1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000004356462 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356555 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356559 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356562 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356565 KJ Annotated Anodyne COCCCN(/C(S)=N\c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356670 KJ Annotated Mild COCCCN(/C(S)=N\c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356675 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356706 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356712 KJ Annotated Mild COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004356885 KJ Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004356888 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356905 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356909 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360368 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360371 KJ Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360375 KJ Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360377 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360441 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360446 KJ Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360469 KJ Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360473 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360567 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360572 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004360575 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004360578 KJ Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360583 KJ Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360588 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004360595 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004360601 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360635 KJ Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360649 KJ Annotated Mild CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000004360785 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000004360789 KJ Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000004360791 KJ Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000004360795 KJ Annotated Anodyne CN=C(S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004360849 KJ Annotated Mild CN=C(S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004360855 KJ Annotated Mild COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360941 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360944 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360974 KJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360976 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000004382128 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000004382132 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000004382136 KJ Annotated Anodyne CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C(Cl)Cl)[C@H]2SC1 ZINC000004383714 KJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C)c(CN(C)C)c43)[nH]c2c(OC)c1OC ZINC000004392450 KJ Annotated Reactive CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004416693 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004416715 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000004417078 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000004417080 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000004417083 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000004417086 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000004417246 KJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000004417248 KJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000004417251 KJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000004417253 KJ Annotated Anodyne CC[C@@H]1C(=O)N[C@H](Cc2[nH]c(/C=C3/N=C(C[C@H]4NC(=O)[C@@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@@H]1C ZINC000040164445 KJ Annotated Anodyne in-man CC[C@H]1[C@H](C)C(=O)N[C@@H]1CC1=N/C(=C/c2[nH]c(C[C@H]3NC(=O)[C@@H](CC)[C@H]3C)c(C)c2CCC(=O)O)C(CCC(=O)O)=C1C ZINC000040164446 KJ Annotated Anodyne in-man CC[C@@H]1C(=O)N[C@H](Cc2[nH]c(/C=C3/N=C(C[C@H]4NC(=O)[C@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)[C@@H]1C ZINC000040164447 KJ Annotated Anodyne in-man CCC1=C(C)[C@@H](CC2=N/C(=C\c3[nH]c(C[C@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000040164448 KJ Annotated Anodyne in-man endogenous CCC1=C(C)[C@@H](CC2=N/C(=C\c3[nH]c(C[C@@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000040164449 KJ Annotated Anodyne in-man endogenous O=c1cccc(-c2cccc3c2S(=O)(=O)N=C3c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)[nH]1 ZINC000040379947 KJ Annotated Anodyne COc1ccc(Oc2ccc(NC(=O)[C@H](C)N)cc2C(=O)NCc2csc(-c3cccs3)n2)cc1 ZINC000040392944 KJ Annotated Anodyne CC(=O)OCn1cc(CCNc2ncnc3ccsc23)s/c1=N\C(=O)Nc1cccc(Cl)c1 ZINC000040392973 KJ Annotated Anodyne COCCN(C(=O)COCc1ccccc1)[C@@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040392998 KJ Annotated Anodyne COCCN(C(=O)COCc1ccccc1)[C@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040392999 KJ Annotated Anodyne COCCN(C(=O)COCc1ccccc1)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040393000 KJ Annotated Anodyne COCCN(C(=O)COCc1ccccc1)[C@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040393001 KJ Annotated Anodyne N#Cc1cnn(-c2ncnc3sc4c(c23)-c2ccccc2CC4)c1NC(=S)NC(=O)c1ccccc1 ZINC000040395622 KJ Annotated Mild CCN1/C(=C/C(=C\c2sc3ccccc3[n+]2CCCS(=O)(=O)O)OC)Sc2ccc(OC)cc21 ZINC000040402038 KJ Annotated Clean CCN(CC)Cc1ccc(OCCCCN2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c(OC)ccc(c34)C2)cc1 ZINC000040402394 KJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040404899 KJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040404902 KJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040404905 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000040405650 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000040405684 KJ Annotated Anodyne COC(=O)c1cc(/C(=C/CCN2CCOC2=O)c2cc(C)c3onc(OC)c3c2)cc(Cl)c1OC ZINC000040405955 KJ Annotated Anodyne COc1cccc(N/N=C(\c2cc(OC)c(OC)c(OC)c2)c2nc(-c3ccc(Cl)cc3)nnc2O)c1 ZINC000040406612 KJ Annotated Mild COc1ccc(N/N=C(\c2cc(OC)c(OC)c(OC)c2)c2nc(-c3ccc(Cl)cc3)nnc2O)cc1 ZINC000040406747 KJ Annotated Mild COc1ccc(-c2nnc(O)c(/C(=N/Nc3ccc(Cl)cc3)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000040406772 KJ Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000040406929 KJ Annotated Anodyne Cc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)CN(C)[C@@]32C(=O)N(C)c3ccccc32)cc1 ZINC000040409075 KJ Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000040409188 KJ Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccc(-c3ccccc3)c1)n2CCC(N)=O ZINC000040413032 KJ Annotated Anodyne COc1ccccc1N/N=C(\c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccc(Cl)cc2)nnc1O ZINC000040414042 KJ Annotated Mild Cc1ccc2c(c1)C(=O)N(CCOC(=S)N(C(=O)c1cccnc1Cl)c1ccc(Cl)cc1)C2=O ZINC000040421524 KJ Annotated Anodyne CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)c1ccccc1 ZINC000040428896 KJ Annotated Anodyne CN1CCN(CCC(=O)N[C@@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040429207 KJ Annotated Anodyne CN1CCN(CCC(=O)N[C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040429209 KJ Annotated Anodyne CN1CCN(CCC(=O)N[C@@H]2CC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040429211 KJ Annotated Anodyne O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccc(Br)cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040429558 KJ Annotated Anodyne O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccc(Br)cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040429560 KJ Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(N(CC2CC2)S(=O)(=O)c2ccccc2Cl)cc1Cl)C(F)(F)F ZINC000040431299 KJ Annotated Anodyne C[C@](O)(C(=O)Nc1ccc(N(CC2CC2)S(=O)(=O)c2ccccc2Cl)cc1Cl)C(F)(F)F ZINC000040431301 KJ Annotated Anodyne CN1CCN(CCC(=O)N2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040431363 KJ Annotated Anodyne CN1CCN(CCC(=O)N2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040431365 KJ Annotated Anodyne CN1CCN(CCC(=O)N2CCC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040431367 KJ Annotated Anodyne CCOP(=O)(OCC)C(CCC(=O)c1cccc(NS(C)(=O)=O)c1)P(=O)(OCC)OCC ZINC000040464985 KJ Annotated Anodyne c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\[C@H]3N[C@H](NC4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12 ZINC000040465241 KJ Annotated Anodyne c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\[C@H]3N[C@@H](NC4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12 ZINC000040465242 KJ Annotated Anodyne c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\[C@@H]3N[C@@H](NC4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12 ZINC000040465244 KJ Annotated Anodyne CCCC1=C(C(=O)OCc2ccc(C(=O)N(C)CCN3CCCCC3)cc2)[C@H](c2cccc(C)c2)NC(=O)N1 ZINC000040503763 KJ Annotated Anodyne CCCC1=C(C(=O)OCc2ccc(C(=O)N(C)CCN3CCCCC3)cc2)[C@@H](c2cccc(C)c2)NC(=O)N1 ZINC000040503765 KJ Annotated Anodyne COc1ccc(-c2nc(S(=O)(=O)C(F)(F)[C@@H](F)Br)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000040506415 KJ Annotated Reactive COc1ccc(-c2nc(S(=O)(=O)C(F)(F)[C@H](F)Br)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000040506418 KJ Annotated Reactive COC(=O)c1c(-c2ccc(OC)c(OC)c2O)c(-c2cccc(O)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000040565146 KJ Annotated Anodyne N#CC(CCSC(=S)N1CCN(C(=O)CCBr)CC1)(c1ccccc1)c1ccccc1 ZINC000040566975 KJ Annotated Reactive C[C@H](Nc1c(-c2c(F)cc(OCCCN3CCCC3)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040576457 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000040609767 KJ Annotated Anodyne CCCC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000040609769 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccoc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000040646343 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccoc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000040646345 KJ Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2cccs2)[C@@]3(C)C1(C)C ZINC000040650962 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2cccs2)[C@@]3(C)C1(C)C ZINC000040650964 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000040651156 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000040651158 KJ Annotated Mild CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCC[C@@H](O)CCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000040651571 KJ Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000040669918 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000040669921 KJ Annotated Mild C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(Cc5ccccc5C(F)(F)F)CC4)c(c32)S1 ZINC000040701385 KJ Annotated Anodyne C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(Cc5ccccc5C(F)(F)F)CC4)c(c32)S1 ZINC000040701387 KJ Annotated Anodyne C=C1[C@H](O)[C@@H](OC(C)=O)/C=C(\C)CC[C@@H]2C([C@H](OC(C)=O)[C@@H](C=C(C)C)OC(=O)c3ccccc3)=CO[C@H](OC(C)=O)[C@H]12 ZINC000040763820 KJ Annotated Mild O=[N+]([O-])c1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O ZINC000040781704 KJ Annotated Bother CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc2sc(Br)c(Br)c2[nH]1 ZINC000040810640 KJ Annotated Anodyne COC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000040817971 KJ Annotated Anodyne CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 ZINC000040822594 KJ Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccsc2)[C@@]3(C)C1(C)C ZINC000040827901 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccsc2)[C@@]3(C)C1(C)C ZINC000040827904 KJ Annotated Mild Cn1c(C(=O)n2nc(O)c3cc(Br)ccc32)cc2cccc(S(=O)(=O)c3ccccc3)c21 ZINC000040835595 KJ Annotated Anodyne C=C(Cl)CN1C[C@@H](C)O[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)C1 ZINC000040843234 KJ Annotated Mild COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(Br)c1 ZINC000040848226 KJ Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c1 ZINC000040848372 KJ Annotated Anodyne CCCC[C@H](Sc1nc2c(C)cccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040849238 KJ Annotated Anodyne CCCC[C@@H](Sc1nc2c(C)cccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040849240 KJ Annotated Anodyne CCCC[C@H](Sc1nc2cccc(C)c2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040862870 KJ Annotated Anodyne CCCC[C@@H](Sc1nc2cccc(C)c2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040862872 KJ Annotated Anodyne CCCC[C@H](Sc1nc2cc(C)ccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040863184 KJ Annotated Anodyne CCCC[C@@H](Sc1nc2cc(C)ccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040863186 KJ Annotated Anodyne COCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040864032 KJ Annotated Anodyne COCCN(C(=O)Cc1cccc(OC)c1)[C@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040864034 KJ Annotated Anodyne COCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040864036 KJ Annotated Anodyne COCCN(C(=O)Cc1cccc(OC)c1)[C@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040864038 KJ Annotated Anodyne COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CC[C@]1(O)[C@@H](OC)O[C@@H](OC)[C@H]1O ZINC000040872746 KJ Annotated Anodyne CN1C/C(=C\c2ccco2)C(=O)[C@]2(C1)[C@@H](c1ccco1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000040874518 KJ Annotated Mild O=c1ccc(-c2cccc3c2S(=O)(=O)N=C3c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c[nH]1 ZINC000040875270 KJ Annotated Anodyne CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1 ZINC000040875888 KJ Annotated Anodyne CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(-c3ncccn3)nc2NCC(F)(F)F)c(F)c1 ZINC000040877240 KJ Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040879161 KJ Annotated Anodyne CN1CCN(CC(=O)O[C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040879166 KJ Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040879170 KJ Annotated Anodyne COC(=O)[C@H](C(=O)N1CCCCC1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891812 KJ Annotated Anodyne COC(=O)[C@H](C(=O)N1CCCCC1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891813 KJ Annotated Anodyne COC(=O)[C@@H](C(=O)N1CCCCC1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891814 KJ Annotated Anodyne COC(=O)[C@@H](C(=O)N1CCCCC1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891815 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000040900057 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000040913775 KJ Annotated Anodyne Sc1nnc(CO[C@@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000040915198 KJ Annotated Anodyne Sc1nnc(CO[C@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000040915200 KJ Annotated Anodyne C=CCCCC[C@H](C)CCC/C=C\C#CCC[C@H](OC)C(=O)OC[C@@H](O)CO[P@](=O)(O)CC[N+](C)(C)C ZINC000040916018 KJ Annotated Mild C=CCCCC[C@@H](C)CCC/C=C\C#CCC[C@H](OC)C(=O)OC[C@@H](O)CO[P@](=O)(O)CC[N+](C)(C)C ZINC000040916020 KJ Annotated Mild O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(C3CC3)cc(C(F)(F)F)c2)CC1 ZINC000040916213 KJ Annotated Anodyne CC[C@@]1(OC)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000040917452 KJ Annotated Anodyne O=C(O)[C@@]1(N(CCn2ccnc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000040917559 KJ Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918288 KJ Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040918289 KJ Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918290 KJ Annotated Anodyne CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)C12C(=O)c1ccccc1C2=O ZINC000040919242 KJ Annotated Clean CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)s1)n2CCC(N)=O ZINC000040934133 KJ Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccc(C(F)(F)F)cc3)nn2)O1 ZINC000040934622 KJ Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)cc1)n2CCC(N)=O ZINC000040935213 KJ Annotated Anodyne COc1c(C)c(OC(=O)c2c(C)cc(O)cc2O)c(C)c(C(=O)Oc2cc(O)c(C(=O)O)c(C)c2C)c1C ZINC000040937910 KJ Annotated Anodyne O=C1[C@H]2C=CC=C[C@H]2C(=O)N1CCOC(=S)N(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000040939763 KJ Annotated Anodyne COc1cc2c(=O)n(CCN(CC(F)(F)F)C(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040939966 KJ Annotated Bother C=CC(C)(C)c1cc(OC(C)=O)c(OC(C)=O)cc1-c1coc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O ZINC000040949596 KJ Annotated Mild COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3n(CCC(C)C)c2c1 ZINC000040950174 KJ Annotated Bother C[C@@H](N(C)Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C ZINC000040954644 KJ Annotated Anodyne Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(CNC5CCCCC5)ccc4n3CC(C)(C)O)s2)o1 ZINC000040955076 KJ Annotated Anodyne C[C@H](N(C)Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C ZINC000040956208 KJ Annotated Anodyne CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C1CCCCC1 ZINC000040956941 KJ Annotated Anodyne CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO ZINC000040974027 KJ Annotated Bother O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 ZINC000040975478 KJ Annotated Bother O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 ZINC000040975480 KJ Annotated Bother CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(OC)c2)C1 ZINC000040976449 KJ Annotated Anodyne COc1cc2c(=O)n(CCN(Cc3ccccc3)C(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 ZINC000040977112 KJ Annotated Bother CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC(=O)[C@H]1C ZINC000042764381 KJ Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C ZINC000042764393 KJ Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@H](C)CC)OC(=O)[C@H]1C ZINC000042764396 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(CCc3ccccc3)nn2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000042802899 KJ Annotated Mild CC(=O)O[C@H]1C=C2[C@@H]3CC[C@H]([C@@](C)(O)[C@H](O)CCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)[C@H](OC(C)=O)[C@H]12 ZINC000042803274 KJ Annotated Anodyne O=C(O)[C@@]1(N(CCn2cnc3ncncc32)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000042803382 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)[C@@H]4O[C@H]4[C@@H](C)C(C)C)C3=CC[C@H]2[C@H](OS(=O)(=O)O)[C@H]1O ZINC000042804354 KJ Annotated Anodyne O=C(O[C@@H]1CO[C@@H](Oc2ccc(/C=N/O)cc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000042804454 KJ Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000042804754 KJ Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)NC)=CC[C@H]4[C@@H]3CC[C@H]2[C@H]1OC(C)=O ZINC000042805093 KJ Annotated Anodyne Cc1ccc([C@@H](CC(N)=O)NC(=O)CC(=O)CNc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805429 KJ Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)CC(=O)CNc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805434 KJ Annotated Anodyne Cc1ccc([C@@H](CC(N)=O)NC(=O)CC(=O)COc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805441 KJ Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)CC(=O)COc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805447 KJ Annotated Anodyne C/C(=C\c1ccncc1)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 ZINC000042805975 KJ Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3ccc(N)cc3)s1)n2CCC(N)=O ZINC000042806173 KJ Annotated Anodyne O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc5cc(F)ccc5F)c4)c3s2)C1)N1CCOCC1 ZINC000042806966 KJ Annotated Mild COC(=O)[C@@H]1C/C=C\COc2ccc3ccccc3c2-c2c(ccc3ccccc23)OCC(=O)N[C@H](CCCCN)C(=O)N1 ZINC000042807084 KJ Annotated Anodyne O=C1N[C@@H]2c3ccccc3C[C@@H]2OC(=O)c2ccc(s2)C(=O)O[C@H]2Cc3ccccc3[C@H]2NC(=O)c2cccc1c2 ZINC000042807143 KJ Annotated Anodyne O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3s2)C1)N1CCOCC1 ZINC000042807256 KJ Annotated Mild O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1CC(F)(F)F ZINC000042807357 KJ Annotated Anodyne C/C(=C\c1cccnc1)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 ZINC000042807627 KJ Annotated Anodyne C[C@@H](C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(Oc4ccccc4)cc3)nn2)O1 ZINC000042807638 KJ Annotated Mild C[C@@H](C(=O)N1CCN(C[C@H]2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(Oc4ccccc4)cc3)nn2)O1 ZINC000042807647 KJ Annotated Mild O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c3s2)C1)N1CCOCC1 ZINC000042807671 KJ Annotated Mild Cc1onc(-c2ccccc2)c1CN([C@@H]1C[C@@H]2CC(C#N)=CC=C2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000042807678 KJ Annotated Reactive Cc1onc(-c2ccccc2)c1CN([C@H]1C[C@@H]2CC(C#N)=CC=C2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000042807682 KJ Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(Cc3ccccc3)nn2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000042808352 KJ Annotated Mild CO[C@H]1[C@@H]2C(=O)c3c(O)c(CC=C(C)C)c4c(c3O[C@]23[C@@H]2C[C@@]1(OC)C(=O)[C@@]3(C/C=C(/C)C(=O)O)OC2(C)C)C(C)(C)[C@@H](C)O4 ZINC000042808767 KJ Annotated Anodyne COc1ccccc1-n1nc(-c2cc(OC)c(OC)c(OC)c2)c2nc(-c3cc(OC)c(OC)c(OC)c3)nnc21 ZINC000042833765 KJ Annotated Anodyne COc1c(C)c(OC(C)=O)c(C(C)=O)c(OC(C)=O)c1Cc1c(OC(C)=O)c2c(c(C(C)=O)c1OC(C)=O)OC(C)(C)C=C2 ZINC000042833917 KJ Annotated Anodyne O=Cc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000042833924 KJ Annotated Anodyne CC(=O)OC[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1OC(C)=O)C3(C)C ZINC000042834138 KJ Annotated Mild C[C@@H](C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3cccc(-c4ccccc4)c3)nn2)O1 ZINC000042834442 KJ Annotated Mild C[C@@H](C(=O)N1CCN(C[C@H]2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3cccc(-c4ccccc4)c3)nn2)O1 ZINC000042834446 KJ Annotated Mild C=C1C(=O)[C@H](OC(=O)c2ccccc2)/C=C(\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 ZINC000042834515 KJ Annotated Mild CC(C)C[C@@H](C(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1)N1C(=O)c2cccc3c(NCCN(C)C)ccc(c23)C1=O ZINC000042834573 KJ Annotated Anodyne CCCC(=O)O[C@H]1C[C@]2(C)[C@H](C=C(C)[C@H](OC(C)=O)[C@H](O)[C@H]2OC(=O)CCC)[C@H]2[C@@H](C(C)C)[C@@H](OC(C)=O)C[C@@]12C ZINC000042834791 KJ Annotated Anodyne CO[C@H]1[C@@H]2C(=O)c3c(O)c(CC=C(C)C)c4c(c3O[C@]23[C@@H]2C[C@@]1(OC)C(=O)[C@@]3(C/C=C(\C)C=O)OC2(C)C)C(C)(C)[C@@H](C)O4 ZINC000042834799 KJ Annotated Reactive CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3ccccc3N)s1)n2CCC(N)=O ZINC000042834891 KJ Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccc(S(=O)(=O)/N=C/N(C)C)cc3)nc2-c2ccccc2)S1)c1ccccc1 ZINC000042834991 KJ Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccc(S(=O)(=O)/N=C/N(C)C)cc3)nc2-c2ccccc2)S1)c1ccccc1 ZINC000042834993 KJ Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)[C@@H]4O[C@H]4[C@H](C)C(C)C)C3=CC[C@H]2[C@H](OS(=O)(=O)O)[C@H]1O ZINC000042835010 KJ Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@@H]2C2=C(OC1(C)C)C1=C(C(=O)C2=O)[C@H]2c3ccc(OC)cc3OC[C@H]2C(C)(C)O1 ZINC000042835023 KJ Annotated Mild CC[C@H]1[C@@H]2[C@H]([C@@H](C)c3c[nH]c4ccccc34)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@H](O)/C(C)=C\[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000042835073 KJ Annotated Mild CC[C@H]1[C@H]2[C@H]([C@@H](C)c3c[nH]c4ccccc34)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@H](O)/C(C)=C\[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@@]21C ZINC000042835075 KJ Annotated Mild C/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4N[C@@H]4N(C)c5cccc6c5[C@@]42CCN([C@@H]6[C@H]2OC2(C)C)[C@@H]13 ZINC000042835555 KJ Annotated Anodyne C[C@H](OC(=O)/C=C/c1ccccc1)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C ZINC000042835561 KJ Annotated Anodyne Cn1nc(-c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)cc1-c1ccc(F)cc1F ZINC000042835875 KJ Annotated Anodyne C=CC(C)(C)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N4/C=C/C(C)(C)c5[nH]c6ccccc6c5C=C4C(=O)N3[C@H]12 ZINC000042835890 KJ Annotated Mild CC(=O)O[C@H]1C=CC(=O)[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]23[C@H](OC(C)=O)O[C@@](C)([C@H]4CC(C)=C(C)C(=O)O4)[C@H]2CC[C@@H]13 ZINC000042850757 KJ Annotated Mild COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CC(F)(F)C[C@H]1C=N3)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000042851048 KJ Annotated Anodyne CC(=O)O[C@H]1CC=C(C=O)[C@H]2C[C@@]34C[C@@H](OC3(C)C)C(C)=C4[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]12C ZINC000042851077 KJ Annotated Reactive COc1ccc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000042851272 KJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000042851286 KJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000042851288 KJ Annotated Mild COc1cc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000042851403 KJ Annotated Anodyne O=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccc(Cl)c(Cl)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000042851732 KJ Annotated Anodyne COc1ccc2[nH]cc([C@@H](CC(=O)CCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)O)c3ccc(C(F)(F)F)cc3)c2c1 ZINC000042851883 KJ Annotated Anodyne COc1ccc2[nH]cc([C@H](CC(=O)CCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)O)c3ccc(C(F)(F)F)cc3)c2c1 ZINC000042851886 KJ Annotated Anodyne Cn1nc(-c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)cc1-c1ccc(Cl)cc1 ZINC000042851990 KJ Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)CCSCCS(=O)(=O)O)C/C1=C\c1ccc(Cl)cc1 ZINC000042852060 KJ Annotated Mild COc1cc(OC)cc([C@@H]2CC(=O)[C@H](C)[C@H](c3cc(OC)cc(OC)c3)N2C(=O)Cn2cnc3ccccc32)c1 ZINC000042852654 KJ Annotated Anodyne COc1cc(OC)cc([C@@H]2CC(=O)[C@@H](C)[C@H](c3cc(OC)cc(OC)c3)N2C(=O)Cn2cnc3ccccc32)c1 ZINC000042852657 KJ Annotated Anodyne COc1cc(OC)cc([C@@H]2CC(=O)[C@H](C)[C@@H](c3cc(OC)cc(OC)c3)N2C(=O)Cn2cnc3ccccc32)c1 ZINC000042852660 KJ Annotated Anodyne COc1cc(OC)cc([C@@H]2CC(=O)[C@@H](C)[C@@H](c3cc(OC)cc(OC)c3)N2C(=O)Cn2cnc3ccccc32)c1 ZINC000042852663 KJ Annotated Anodyne C[C@H]1CC[C@@H]2OC(C)(C)[C@H](O)CC[C@@]2(C)[C@]12C[C@H](O)[C@@H]([C@@]1(C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]31C)O2 ZINC000042852736 KJ Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1cc2cc(C(=O)NN3CCOCC3)cc(-c3ccccc3)c2o1 ZINC000042852775 KJ Annotated Anodyne C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C=C1O ZINC000042875157 KJ Annotated Reactive C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000042875174 KJ Annotated Mild CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)CO)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000042875200 KJ Annotated Anodyne COc1cc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3nnc(-c4ccccc4)nc23)cc(OC)c1OC ZINC000042875675 KJ Annotated Anodyne O=C1CS[C@@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O ZINC000042876071 KJ Annotated Anodyne O=C1CS[C@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O ZINC000042876075 KJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000042876303 KJ Annotated Mild CN[C@@H](CC(C)C)C(=O)NCCc1c(Br)n(C)c2cc(Br)c(Br)cc12 ZINC000042876508 KJ Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000042876521 KJ Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000042876525 KJ Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000042876529 KJ Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000042876534 KJ Annotated Reactive C[C@@H](COC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000042878121 KJ Annotated Bother C[C@H](COC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000042878125 KJ Annotated Bother 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]2OC(C)=O)C1 ZINC000042878690 KJ Annotated Mild Cc1ccc2c(c1)C(=O)N(CCOC(=S)N(C(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)C2=O ZINC000042887614 KJ Annotated Bother 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](OC(C)=O)[C@H]1O ZINC000042887704 KJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OC12CC3C[C@@H](C1)C(OC(=O)c1ccccc1)[C@H](C3)C2)c1ccccc1 ZINC000042887738 KJ Annotated Anodyne Nc1ccc(/C=C2/CCCc3c2nc2nc4s/c(=C\c5cccs5)c(=O)n4c(=O)c2c3-c2ccc(N)cc2)cc1 ZINC000042888065 KJ Annotated Anodyne O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000042888750 KJ Annotated Bother CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2F)C1 ZINC000042889166 KJ Annotated Anodyne Cc1ccc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000042889195 KJ Annotated Bother Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@H]2C(C)C ZINC000042889726 KJ Annotated Anodyne in-vitro CC(=O)O[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@@H](/C=C/CCCCc1ccccc1)OC(=O)[C@H](C)N(C)C ZINC000042889880 KJ Annotated Anodyne O=C1/C(=C(C(=C2\Oc3cc(O)ccc3C2=O)/c2ccc(O)c(O)c2)\c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000042890265 KJ Annotated Mild in-vitro biogenic CCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)[C@@H]1[C@H](/C=C\CCCC(=O)OC)OC(C)=O ZINC000042890713 KJ Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccc(O)cc2)C[C@H]1C ZINC000042891677 KJ Annotated Anodyne C=CC(C)(C)c1c(O)cc(OC)c2c1O[C@]13[C@@H](C2=O)[C@H](OC)[C@@H]2C[C@H]1C(C)(C)O[C@@]3(CC=C(C)C)C2=O ZINC000042920891 KJ Annotated Mild C=C([C@@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@H]1OC(=O)/C(C)=C\C ZINC000042921868 KJ Annotated Mild C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@H]1OC(=O)/C(C)=C\C ZINC000042921870 KJ Annotated Mild C=C([C@@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@H]1OC(=O)/C(C)=C\C ZINC000042921872 KJ Annotated Mild C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@H]1OC(=O)/C(C)=C\C ZINC000042921874 KJ Annotated Mild C[C@@H](CN1C(=O)c2ccccc2C1=O)OC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000042922666 KJ Annotated Bother C[C@H](CN1C(=O)c2ccccc2C1=O)OC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000042922669 KJ Annotated Bother CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2c(=O)c3ccccc3[nH]c12 ZINC000042964506 KJ Annotated Bother CCCCCCCCCCCC(=O)[C@]1(O)C[C@H](C(=O)O)C(C(=O)OCC)=C2N(Cc3ccccc3)CCN21 ZINC000042966197 KJ Annotated Mild CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CCCCCCCN2CCC(CNS(C)(=O)=O)CC2)cc2ccccc21 ZINC000042966413 KJ Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCNCCCCNCCCN)c(C)c1C ZINC000042967234 KJ Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000042989147 KJ Annotated Anodyne COC(=O)Oc1cc2c(c(O)c1C)C(=O)c1c(OC)c3c(c(O)c1C2=O)-c1c(cc2cnn(-c4ccccc4)c(=O)c2c1O)CC3 ZINC000042989214 KJ Annotated Clean CN(C)c1cccc2c(S(=O)(=O)Oc3cc(N)nc(SCc4ccccc4Cl)n3)cccc12 ZINC000043009958 KJ Annotated Anodyne O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)CN3CCNCC3)c(Cc3ccccc3)cc2c1 ZINC000043014345 KJ Annotated Bother O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)CN3CCNCC3)c(Cc3ccccc3)cc2c1 ZINC000043014348 KJ Annotated Bother C[C@@](Cc1ccc(Oc2cc(N3CCN(c4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000043016143 KJ Annotated Anodyne O=S(=O)(CC#Cc1ccccc1C#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000043016232 KJ Annotated Mild O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccccc2)cc1 ZINC000043016825 KJ Annotated Mild O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cc(Br)cs1 ZINC000043023898 KJ Annotated Anodyne COc1cc(-c2cc(SC)nc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)n2)cc(OC)c1OC ZINC000043059853 KJ Annotated Anodyne CC[C@H]1O[C@]2(CC[C@H]1C)C[C@@H]1C[C@H](C/C=C(/C)C[C@H](C)/C=C/C=C3/CO[C@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000043065378 KJ Annotated Anodyne in-vitro CN1CCC[C@H](COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1 ZINC000043070973 KJ Annotated Anodyne CN1CCC[C@@H](COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1 ZINC000043070976 KJ Annotated Anodyne COc1ccc(COc2ccc3cc(CN4CCN(CC(=O)Nc5ccc6c(c5)OCC(=O)N6)CC4)ccc3c2)cc1 ZINC000043071008 KJ Annotated Anodyne C[C@@](Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000043071565 KJ Annotated Anodyne CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccc(Cl)cc4Cl)nc23)cc1 ZINC000043073116 KJ Annotated Anodyne O=S(=O)(CC#Cc1ccccc1C#CC#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000043079364 KJ Annotated Mild O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000043118267 KJ Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000043118274 KJ Annotated Anodyne O=c1c2cc(I)ccc2nc(-c2cccs2)n1NC(=S)Nc1ccccc1 ZINC000043120196 KJ Annotated Anodyne CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(O)=NC1=S ZINC000043120457 KJ Annotated Clean Cc1ccc(COc2ccc3cc(CN4CCN(CC(=O)Nc5ccc6c(c5)OCC(=O)N6)CC4)ccc3c2)cc1 ZINC000043120520 KJ Annotated Anodyne O=C(NCCc1ccc(OCCN2CC[C@H](F)C2)c(Br)c1)c1cc(Br)cs1 ZINC000043121727 KJ Annotated Anodyne O=C(NCCc1ccc(OCCN2CC[C@@H](F)C2)c(Br)c1)c1cc(Br)cs1 ZINC000043121729 KJ Annotated Anodyne COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CNc2ccc(/C(C)=N/O)cc2)c(OC)c1 ZINC000043122087 KJ Annotated Mild COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CNc2ccc(/C(C)=N/O)cc2)c(OC)c1 ZINC000043122089 KJ Annotated Mild CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 ZINC000043123469 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 ZINC000043123471 KJ Annotated Anodyne CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H]1CCC(=O)O1 ZINC000043130483 KJ Annotated Anodyne CCCC[C@]1(C)C[C@@H](OC(=O)NC(=O)[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 ZINC000043134429 KJ Annotated Anodyne CN(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000043152423 KJ Annotated Anodyne COc1ccc(F)cc1C(C)(C)Sc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1 ZINC000043152965 KJ Annotated Anodyne O=C(NC1CC1)c1ccc2c(=O)n([C@@H](CC3CCCCC3)C(=O)Nc3ncc(Cl)s3)cnc2c1 ZINC000043171317 KJ Annotated Anodyne O=C(NC1CC1)c1ccc2c(=O)n([C@H](CC3CCCCC3)C(=O)Nc3ncc(Cl)s3)cnc2c1 ZINC000043171319 KJ Annotated Anodyne CC(=O)N1CCN(c2cc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)ccn2)CC1 ZINC000043176713 KJ Annotated Anodyne NCCCNC(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1 ZINC000043177913 KJ Annotated Anodyne COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3ccc(F)c(Cl)c3)nn2)ccc1-n1cnc(C)c1 ZINC000043201894 KJ Annotated Anodyne CCCC[C@@H]1CN(C2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC2)CC1 ZINC000043202566 KJ Annotated Mild CCCC[C@H]1CN(C2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC2)CC1 ZINC000043202567 KJ Annotated Mild CN1[C@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@@H]1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12 ZINC000043207427 KJ Annotated Anodyne N#Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3(c4ccccc4)CC3)cc2)Cc2ccccn2)cc1 ZINC000043207969 KJ Annotated Mild C[C@](Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000043208551 KJ Annotated Anodyne C[C@@H]1CC(C)(C)N[C@H](C[C@H](O[P@](=O)(N(CCCl)CCCl)N2CCOCC2)c2ccccc2)O1 ZINC000043211890 KJ Annotated Reactive CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@H]([C@]3(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)OO)O3)O2)O1 ZINC000043226748 KJ Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCOCC2)C(C[S@@](=O)c2ccccc2)=N1 ZINC000043260462 KJ Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCOCC2)C(C[S@@](=O)c2ccccc2)=N1 ZINC000043260466 KJ Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCOCC2)C(C[S@](=O)c2ccccc2)=N1 ZINC000043260470 KJ Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCOCC2)C(C[S@](=O)c2ccccc2)=N1 ZINC000043260474 KJ Annotated Reactive COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(C2=CC=C2)C1=O ZINC000043273760 KJ Annotated Reactive COC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(C2=CC=C2)C1=O ZINC000043273761 KJ Annotated Reactive COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(Br)C1=O ZINC000043278590 KJ Annotated Reactive COC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(Br)C1=O ZINC000043278592 KJ Annotated Reactive COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000043300370 KJ Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000043300371 KJ Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)[C@@H](CSc1ccc(F)cc1)S(=O)(=O)C(F)(F)F ZINC000043322395 KJ Annotated Mild O=S(=O)(c1ccc(OC(F)(F)F)cc1)[C@H](CSc1ccc(F)cc1)S(=O)(=O)C(F)(F)F ZINC000043322398 KJ Annotated Mild O=S(=O)(c1ccc(OC(F)(F)F)cc1)[C@H](CSc1cccc(F)c1)S(=O)(=O)C(F)(F)F ZINC000043322594 KJ Annotated Mild O=S(=O)(c1ccc(OC(F)(F)F)cc1)[C@@H](CSc1cccc(F)c1)S(=O)(=O)C(F)(F)F ZINC000043322597 KJ Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1 ZINC000043322639 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](CCCc3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl ZINC000043322888 KJ Annotated Anodyne CN(C)CCCNC(=S)NCCCc1cccc2c1Oc1c(CCCNC(=S)NCCCN(C)C)cccc1C2(C)C ZINC000043322970 KJ Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043323268 KJ Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043323272 KJ Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043323277 KJ Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043323281 KJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](OC(C)=O)C1)O2 ZINC000043411874 KJ Annotated Mild C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC(C)=O)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000043422576 KJ Annotated Mild CCCCCCCc1nnnn1CC(I)=C(I)I ZINC000043422607 KJ Annotated Mild O=C([C@@H]1CCC[C@H]2NCCC[C@@H]21)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000043443050 KJ Annotated Anodyne O=C([C@@H]1CCC[C@H]2NCCC[C@@H]21)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000043443052 KJ Annotated Anodyne O=C([C@H]1CCC[C@H]2NCCC[C@H]12)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000043443054 KJ Annotated Anodyne O=C([C@H]1CCC[C@H]2NCCC[C@H]12)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000043443056 KJ Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000043462937 KJ Annotated Reactive CCOC(=O)[C@]1(C(C)=O)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000043462940 KJ Annotated Reactive CCCCCCCCCCCCCCC(COC(=O)C[N+](C)(C)C)(COC(=O)C[N+](C)(C)C)COC(=O)C[N+](C)(C)C ZINC000043481854 KJ Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000043490721 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000043490724 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000043490728 KJ Annotated Anodyne CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1CCC(=O)O1 ZINC000043523513 KJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4cc(OC)c(OC)cc4OC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000043524145 KJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4cc(OC)c(OC)cc4OC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000043524148 KJ Annotated Mild COC(=O)c1c(-c2cc(OC)c(O)cc2OC)c(-c2ccc(O)c(OC)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000043524151 KJ Annotated Anodyne CC(=O)OCCSSCCOP(=O)(OCCSSCCOC(C)=O)Oc1ccc(O)c(C=O)c1 ZINC000043524251 KJ Annotated Reactive COC(=O)c1c(-c2cc(O)c(O)cc2O)c(-c2cc(OC)ccc2OC)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000043524319 KJ Annotated Clean O=C1CCNC(=O)CCc2cc(Br)c(cc2Br)Oc2cc(cc(Br)c2O)CCN1 ZINC000043524451 KJ Annotated Anodyne N#CC(CCSC(=S)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)(c1ccccc1)c1ccccc1 ZINC000043532111 KJ Annotated Mild O=C1c2ccccc2C(=O)c2c(NCCN3CCC[C@@H]3CCl)ccc(NCCN3CCC[C@@H]3CCl)c21 ZINC000043532464 KJ Annotated Reactive O=C1c2ccccc2C(=O)c2c(NCCN3CCC[C@@H]3CCl)ccc(NCCN3CCC[C@H]3CCl)c21 ZINC000043532468 KJ Annotated Reactive Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2cccc(-c3ccccc3)c2)c1 ZINC000043532572 KJ Annotated Mild O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCCC[C@@H]3CCl)ccc(NCCN3CCCC[C@@H]3CCl)c21 ZINC000043532667 KJ Annotated Reactive O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCCC[C@@H]3CCl)ccc(NCCN3CCCC[C@H]3CCl)c21 ZINC000043532670 KJ Annotated Reactive Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCOC(=O)CCCC[C@H]1SC[C@H]3NC(=O)N[C@@H]31)C2(C)C ZINC000043543841 KJ Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCOC(=O)CCCC[C@@H]1SC[C@H]3NC(=O)N[C@@H]31)C2(C)C ZINC000043543842 KJ Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCOC(=O)CCCC[C@@H]1SC[C@H]3NC(=O)N[C@H]31)C2(C)C ZINC000043543844 KJ Annotated Clean O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCC[C@H](CCl)C3)ccc(NCCN3CCC[C@H](CCl)C3)c21 ZINC000043543894 KJ Annotated Clean O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCC[C@@H](CCl)C3)ccc(NCCN3CCC[C@H](CCl)C3)c21 ZINC000043543895 KJ Annotated Reactive C[C@H](Nc1c(-c2c(F)cc(OCCCN(C)C)cc2F)c(Br)nc2ncnn12)C(F)(F)F ZINC000043543996 KJ Annotated Anodyne C[C@]1(COc2ccc(N3CCC(Oc4cccc(OC(F)(F)F)c4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000043544007 KJ Annotated Clean C=C1C(=O)[C@@]23CC[C@H]4[C@H](C(=O)OC)C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c5ccccc5)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000043552772 KJ Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c5ccccc5)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000043552774 KJ Annotated Mild CCC[C@@H]1C[C@H](OC)C[C@H](C)C[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000043552816 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C ZINC000043562169 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@@H]1C ZINC000043562170 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C ZINC000043569775 KJ Annotated Anodyne CC(=O)Nc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O ZINC000043587306 KJ Annotated Bother CCS(=O)(=O)Nc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O ZINC000043587402 KJ Annotated Bother CCCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000043606336 KJ Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H]1C ZINC000043620373 KJ Annotated Mild C=C(C)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000043627816 KJ Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1 ZINC000043628048 KJ Annotated Anodyne CO/N=C(\Cl)CCC/C=C(\c1cc(C)c(OC)c(C(=O)NOC)c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000043628075 KJ Annotated Mild CCCCCCCCCCCC(=O)[C@]1(O)C[C@H](C(=O)OC)C(C(=O)OCC)=C2N(Cc3ccccc3)CCN21 ZINC000043640891 KJ Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2cccc(N3CCCC3)n2)CC1 ZINC000043640992 KJ Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2cccc(N3CCCC3)n2)CC1 ZINC000043640993 KJ Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2cccc(N3CCCC3)n2)CC1 ZINC000043640994 KJ Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2cccc(N3CCCC3)n2)CC1 ZINC000043640995 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000043663841 KJ Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3ccc(O)cc3)s1)n2CCC(N)=O ZINC000043663865 KJ 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]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000043663937 KJ 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]4OC(C)(C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000043664192 KJ Annotated Mild CCOC(=O)N[C@@H](c1ccc(OC)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043676571 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(OC)cc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043676573 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000043676790 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000043676793 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043676822 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043676825 KJ Annotated Anodyne CCCCO[C@]1(C)CCN2C[C@@]34C[C@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000043677283 KJ Annotated Anodyne CO[C@H]1CN(Cc2ccc3c(c2)OCO3)C[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 ZINC000043692975 KJ Annotated Mild C=C(Br)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000043693042 KJ Annotated Mild CO[C@H]1CN(CC=C(C)C)C[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 ZINC000043693162 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(OC)cc2)[C@@]3(C)C1(C)C ZINC000043705782 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(OC)cc2)[C@@]3(C)C1(C)C ZINC000043705784 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(O)cc2)[C@@]3(C)C1(C)C ZINC000043706035 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(O)cc2)[C@@]3(C)C1(C)C ZINC000043706036 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000043706044 KJ Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000043706045 KJ Annotated Mild CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4cccc5c(N(C)C)cccc45)[C@]13OO2 ZINC000043845654 KJ Annotated Reactive CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4cccc5c(N(C)C)cccc45)[C@@]13OO2 ZINC000043845655 KJ Annotated Reactive COC(=O)[C@]1(C)[C@@H](O)C[C@H](O)[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C=O)C/C=C/C(C)(C)OO)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000043871908 KJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)OC)C1)O2 ZINC000043920057 KJ Annotated Mild CCO[P@](=O)(F)CCC(=O)NCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000043938985 KJ Annotated Reactive CCO[P@@](=O)(F)CCC(=O)NCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000043938986 KJ Annotated Reactive CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000043946676 KJ Annotated Anodyne CC(=O)C1(C(C)=O)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000043967958 KJ Annotated Reactive CC(=O)C1(C(C)=O)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000043967960 KJ Annotated Reactive C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000044005176 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000044005179 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000044005182 KJ Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]3C([C@@](O)(c4ccccc4)c4ccccn4)=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]12 ZINC000044018291 KJ Annotated Anodyne O=C(CN1CCN(Cc2ccccc2)CC1)Nc1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl ZINC000044018329 KJ Annotated Clean CC(C)C[C@@]1(C(=O)O)C[C@H](C(N)=O)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)c(Br)c1 ZINC000044018449 KJ Annotated Anodyne C[C@]1(COc2ccc(N3CCC(Oc4ccccc4OC(F)(F)F)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000044031654 KJ Annotated Clean Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12)c1ccc(C#N)cc1 ZINC000044031809 KJ Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(C(=O)NCc3ccc(F)cc3)C=CC(=O)[C@]12C ZINC000044032120 KJ Annotated Mild COc1ccc2c(c1)Oc1cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc1[C@]21OC(=O)c2ccccc21 ZINC000044053263 KJ Annotated Bother COc1ccc2c(c1)Oc1cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000044053266 KJ Annotated Bother COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(C(=O)NCc3ccc(OC)cc3)C=CC(=O)[C@]12C ZINC000044069489 KJ Annotated Mild C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4C(=O)C(C5=CN6CCC[C@@H]7C(=O)C[C@@H]8C[C@@H](C)C[C@@]76[C@@H]8C5)=C[C@H]2[C@]34C1 ZINC000044070068 KJ 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](O)[C@H]2[C@](C)(C(=O)NCc3cccc(OC)c3)C=CC(=O)[C@]12C ZINC000044070088 KJ Annotated Mild C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@@H]1C ZINC000044086711 KJ Annotated Anodyne CCCCCCC#Cc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)[nH]c1=O ZINC000044086951 KJ Annotated Mild CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)ccc32)C[C@H]1C(=O)NCc1ccc[n+]([O-])c1 ZINC000044093756 KJ Annotated Anodyne C=C1/C=C(\C)[C@@H](C)C[C@H](O)CC(=O)[C@H](O)[C@@H](O)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CC/C=C/[C@@H]2O[C@H]2C[C@H](C)C1 ZINC000044093829 KJ Annotated Anodyne Cc1cn([C@@H]2O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2F)c(=O)nc1-n1cncn1 ZINC000044117257 KJ Annotated Anodyne CN(C)CCOC(=O)C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 ZINC000044118255 KJ Annotated Reactive CN(C)CCOC(=O)C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 ZINC000044118259 KJ Annotated Reactive C=C(Cl)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000044118503 KJ Annotated Mild O=C1c2c(O)ccc(O)c2C(=O)c2c(NCC[N+]3([O-])CCCC[C@@H]3CCl)ccc(NCC[N+]3([O-])CCCC[C@@H]3CCl)c21 ZINC000044145940 KJ Annotated Reactive O=C1c2c(O)ccc(O)c2C(=O)c2c(NCC[N+]3([O-])CCCC[C@@H]3CCl)ccc(NCC[N+]3([O-])CCCC[C@H]3CCl)c21 ZINC000044145945 KJ Annotated Reactive CC(=O)O[C@H]1[C@@H](NC(=O)c2ccccc2)[C@@H](O)C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@@H]12 ZINC000044181494 KJ Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@H]1OC(C)=O ZINC000044201716 KJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000044201858 KJ Annotated Mild C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C\CC[C@@H](O)[C@@H]1C ZINC000044220920 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000044246893 KJ Annotated Anodyne CCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000044246895 KJ Annotated Anodyne CCCCCC(=O)O[C@@H]1[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](C)[C@@H](OC)[C@H]1O ZINC000044247010 KJ Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000044264714 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000044264719 KJ Annotated Anodyne C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C\C=C\CCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000044280797 KJ Annotated Mild CC(C)(C)NC(=O)[C@@H]1c2ccccc2CCN1c1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2-c1ccc(F)cc1 ZINC000044281391 KJ Annotated Bother CC(C)(C)NC(=O)[C@H]1c2ccccc2CCN1c1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2-c1ccc(F)cc1 ZINC000044281394 KJ Annotated Bother C[C@@H](C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(-c4ccccc4)cc3)nn2)O1 ZINC000044281409 KJ Annotated Mild C[C@@H](C(=O)N1CCN(C[C@H]2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(-c4ccccc4)cc3)nn2)O1 ZINC000044281418 KJ Annotated Mild CCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](OC(C)=O)C[C@]3(C)[C@H](C=C(C)[C@H](OC(C)=O)[C@H](O)[C@H]3OC(=O)CCC)[C@H]2[C@H]1C(C)C ZINC000044281441 KJ Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@@H]2C2=C(OC1(C)C)C1=C(C(=O)C2=O)[C@@H]2c3ccc(OC)cc3OC[C@@H]2C(C)(C)O1 ZINC000044304990 KJ Annotated Mild CC1=CC[C@@H]([C@@H](C)[C@@H]2CC=C3[C@@H]4CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@]56C[C@@]4(OC=O)CC[C@@]32C)OC1=O ZINC000044305094 KJ Annotated Anodyne O=Cc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000044305135 KJ Annotated Anodyne CN[C@@H](CC(C)C)C(=O)NCCc1c(Br)[nH]c2cc(Br)c(Br)cc12 ZINC000044305298 KJ Annotated Anodyne C=C1[C@H](O)[C@H](OC(=O)c2ccccc2)/C=C(\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 ZINC000044305634 KJ Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@H]([C@H](C)N(C)C)[C@@]3(C)C[C@@H]3O[C@@]32CC2=C[C@@H](O)[C@H](NC(=O)c3ccccc3)C(C)(C)[C@@H]21 ZINC000044306109 KJ Annotated Anodyne C=C(C[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000044306270 KJ Annotated Mild C=C(C[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000044306273 KJ Annotated Mild C=C(C[C@H](O)[C@@](C)(O)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000044306276 KJ Annotated Mild C=C(C[C@@H](O)[C@@](C)(O)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000044306279 KJ Annotated Mild COc1ccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4cc(OC)c(OC)c(OC)c4)nnc32)cc1 ZINC000044307060 KJ Annotated Anodyne CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@@H](OC(C)=O)[C@@H](C(C)=O)[C@@H]4C(=O)O[C@H](C[C@@H]12)[C@]43C ZINC000044307256 KJ Annotated Anodyne O=C(Oc1ccccc1)Oc1c(O)cc([C@@H]2CCc3c(O)cc(OC(=O)c4cc(O)c(O)c(O)c4)cc3O2)cc1O ZINC000044307543 KJ Annotated Clean O=C(Oc1ccccc1)Oc1c(O)cc([C@H]2CCc3c(O)cc(OC(=O)c4cc(O)c(O)c(O)c4)cc3O2)cc1O ZINC000044307546 KJ Annotated Clean C=C(CF)CN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000044323228 KJ Annotated Mild C=CCCN1C[C@H](OC)[C@@H](C)O[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)C1 ZINC000044324045 KJ Annotated Mild COc1cccc(OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)N(C)Cc4ccccc4)O3)nn2)c1OC ZINC000044350625 KJ Annotated Mild COc1ccc2c(c1)CO[C@@H]1[C@H]2C2=C(OC1(C)C)C(=O)C1=C(OC(C)(C)[C@@H]3COc4cc(OC)ccc4[C@H]13)C2=O ZINC000044350826 KJ Annotated Mild CC(=O)N1/C(=C2\N=c3ccccc3=C2c2c(C3=Nc4ccccc4C3=O)[nH]c3ccccc23)C(=O)c2ccccc21 ZINC000044350907 KJ Annotated Mild C=C1[C@H](O)[C@@H](OC(=O)c2ccccc2)/C=C(\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 ZINC000044351214 KJ Annotated Mild CCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](OC(C)=O)C[C@]3(C)[C@H](C=C(C)[C@H](O)[C@H](OC(C)=O)[C@H]3OC(=O)CCC)[C@H]2[C@H]1C(C)C ZINC000044351899 KJ Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CCCCCCCCCCCO)CC[C@]34CO)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000044351923 KJ Annotated Anodyne COc1cc(/C=C2\C(=O)N(CCc3ccc(O)cc3)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)NCCc2ccc(O)cc2)ccc1O ZINC000044351979 KJ Annotated Anodyne COC(=O)c1cn(CCN([C@]2(C(=O)O)C[C@H]2c2ccccc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000044352022 KJ Annotated Anodyne O=C1N[C@@H]2c3ccccc3C[C@@H]2OC(=O)c2cccc(c2)C(=O)O[C@H]2Cc3ccccc3[C@H]2NC(=O)c2cccc1c2 ZINC000044352662 KJ Annotated Anodyne CC(C)(O)/C=C/C[C@@](C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@H]([C@]3(C)CC[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)O3)O2)O1 ZINC000044358585 KJ Annotated Reactive C=C1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](CCc2ccccc2)C(=O)NCC(=O)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H]1C ZINC000044358591 KJ Annotated Mild CC(=O)OC[C@@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@]12CC[C@](C)(C[C@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000044358963 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000044360237 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000044360248 KJ Annotated Anodyne CC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000044360377 KJ Annotated Anodyne O=C1CS[C@H](c2ccc(O)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000044361001 KJ Annotated Anodyne O=C1CS[C@@H](c2ccc(O)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000044361007 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23[C@H](C[C@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000044361511 KJ Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23[C@H](C[C@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000044361517 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@H]2C[C@H](OC(=O)[C@H](C)CC)C[C@H]13 ZINC000044361522 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@H]2C[C@H](OC(=O)[C@@H](C)CC)C[C@H]13 ZINC000044361529 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23[C@H](C[C@H](OC(=O)/C(C)=C/C)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000044361667 KJ Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@H]2C[C@H](OC(=O)/C(C)=C/C)C[C@H]13 ZINC000044361673 KJ Annotated Anodyne COC(=O)[C@]1(C)[C@@H](O)C[C@H](O)[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@@H](C/C=C/C(C)(C)OO)C(=O)O)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000044386512 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](O)C[C@H]1C ZINC000044386813 KJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](O)C[C@H]1C ZINC000044386816 KJ Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000044387138 KJ Annotated Anodyne COc1ccc(/C=N/n2c(CSc3nnc(-c4ccncc4)o3)nc3ccc(Br)cc3c2=O)cc1 ZINC000044387417 KJ Annotated Mild O=C1CS[C@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000044387420 KJ Annotated Anodyne O=C1CS[C@@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000044387423 KJ Annotated Anodyne COc1cc(/C=C/C(=O)OC/C(C)=C/Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)ccc1O ZINC000044387426 KJ Annotated Mild biogenic in-vivo C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\C[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000044387749 KJ Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)[C@H](O)C[C@H](O)[C@](C)(C(=O)O)[C@@H]1CC3=O ZINC000044387954 KJ Annotated Anodyne CCCCCCCCC[C@H](O)/C=C/C(C)=C/CC(=O)NC[C@H](O)[C@H](C)C(=O)NCC/C=C/C=C/C=C/C(=O)O ZINC000044404586 KJ Annotated Mild CCCCCCCCC[C@@H](O)/C=C/C(C)=C/CC(=O)NC[C@H](O)[C@H](C)C(=O)NCC/C=C/C=C/C=C/C(=O)O ZINC000044404590 KJ Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@@H](OC(C)=O)[C@H](C)[C@]1(C)O ZINC000044404986 KJ Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C=C1O ZINC000044405070 KJ Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O ZINC000044405319 KJ Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O ZINC000044405323 KJ Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O ZINC000044405327 KJ Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O ZINC000044405331 KJ Annotated Reactive C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN(C)CCc3ccccc3)nn2)O1 ZINC000044405478 KJ 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)[C@@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000044405498 KJ Annotated Mild in-vitro biogenic CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C ZINC000044406153 KJ Annotated Anodyne COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 ZINC000044406157 KJ Annotated Anodyne O=C(/N=c1\sc(CCNc2ncnc3ccsc23)cn1COC(=O)CC1CCNCC1)Nc1cccc(Cl)c1 ZINC000044406586 KJ Annotated Anodyne Cn1nc(-c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)cc1-c1ccc(F)c(F)c1 ZINC000044416802 KJ Annotated Anodyne COc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4cc(OC)c(OC)c(OC)c4)nnc32)c1 ZINC000044416962 KJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(-c2noc(C(=O)NNC(=S)Nc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000044417011 KJ Annotated Reactive Cc1ccc(-n2c(CSc3nnc(-c4ccncc4)n3-c3ccccc3)nn(CN3CCN(C)CC3)c2=S)cc1 ZINC000044417171 KJ Annotated Anodyne O=C(O)C[C@@H](c1ccc2c(c1)OCO2)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O ZINC000044417273 KJ Annotated Anodyne O=C(O)C[C@H](c1ccc2c(c1)OCO2)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O ZINC000044417277 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2 ZINC000044417596 KJ Annotated Anodyne COc1cc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2ccccc2)cc(OC)c1OC ZINC000044418732 KJ Annotated Anodyne COc1cc(N/N=C(\c2cc(OC)c(OC)c(OC)c2)c2nc(-c3ccc(Cl)cc3)nnc2O)cc(OC)c1OC ZINC000044419194 KJ Annotated Mild O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccccc2Cl)CN1C(=O)Nc1ccc(Cl)cc1 ZINC000044430396 KJ Annotated Anodyne O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000044430549 KJ Annotated Anodyne COc1cccc(OC)c1C(=O)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000044430724 KJ Annotated Anodyne Cc1cc(Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2F)nn(COC(=O)c2cccnc2)c1=O ZINC000044430768 KJ Annotated Mild Cc1ccc(OC[C@H]2O[C@@H](n3cc(Cn4ccc5c(Cl)nc(N)nc54)nn3)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000044430793 KJ Annotated Anodyne COc1cccn(CCN([C@]2(C(=O)O)C[C@H]2c2ccccc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1=O ZINC000044430794 KJ Annotated Anodyne COc1cc(/C(=N\Nc2ccc(Cl)cc2)c2nc(-c3cc(OC)c(OC)c(OC)c3)nnc2O)cc(OC)c1OC ZINC000044430843 KJ Annotated Mild Cc1cccc(NC(=O)OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)N(C)Cc4ccccc4)O3)nn2)c1 ZINC000044430989 KJ Annotated Mild CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000044431128 KJ 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(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000044431130 KJ 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(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000044431132 KJ 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(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000044431134 KJ Annotated Anodyne Nc1nc(O[C@@H](c2ccccc2-n2ccc(C(F)(F)F)n2)C(F)(F)F)cc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 ZINC000044431459 KJ Annotated Anodyne Nc1nc(O[C@H](c2ccccc2-n2ccc(C(F)(F)F)n2)C(F)(F)F)cc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 ZINC000044431462 KJ Annotated Anodyne C/C(=N\NC(=N)N)c1ccc(NC(=O)Nc2nc(C)c(C(=O)NCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000044431790 KJ Annotated Mild Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000044460009 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000004528375 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000004528377 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000004528381 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000004528385 KJ Annotated Anodyne COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)[C@]1(CCc2c1c(O)c1c(O)nc(/C=N/OCc4ccccc4)cc1c2Br)C3=O ZINC000004617132 KJ Annotated Mild COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H](O)COCc2ccco2)cc1 ZINC000004674433 KJ Annotated Mild CC[C@@H]1[C@@H](CC2=N/C(=C/c3[nH]c(C[C@H]4NC(=O)[C@@H](CC)[C@H]4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC(=O)[C@@H]1C ZINC000004761359 KJ Annotated Anodyne in-man CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cn(C)c4ccccc34)CC2)cc1 ZINC000004793366 KJ Annotated Anodyne CC(=O)c1ccc(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cn(C)c4ccccc34)CC2)cc1 ZINC000004793370 KJ Annotated Anodyne CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cn(C)c4ccccc34)CC2)cc1 ZINC000004793376 KJ Annotated Anodyne CC(=O)c1ccc(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)N(C)[C@H]3c3cn(C)c4ccccc34)CC2)cc1 ZINC000004793382 KJ Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCc3ccccc3C2)[C@H]1c1cn(C)c2ccccc12 ZINC000004793656 KJ Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCc3ccccc3C2)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793660 KJ Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCc3ccccc3C2)[C@H]1c1cn(C)c2ccccc12 ZINC000004793664 KJ Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCc3ccccc3C2)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793669 KJ Annotated Anodyne CCC[C@@H](/C=N/N(C)C(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2cccc(OC)c2o1 ZINC000045166944 KJ Annotated Reactive Fc1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(CCN6CCOCC6)CC5)cc4)s3)nc2c1 ZINC000045168870 KJ Annotated Anodyne COc1ccc(CNC2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCCc2ccccn2)s1 ZINC000045168881 KJ Annotated Anodyne CS(=O)(=O)NCCCNCc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045187963 KJ Annotated Anodyne Cc1noc(C)c1CN1CCCN(c2ccc3c(c2)CCN(Cc2ccc(-c4ncc[nH]4)cc2)CC3)CC1 ZINC000045188419 KJ Annotated Anodyne CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CNC4Cc5ccccc5C4)cc3)nc2)cc1 ZINC000045189549 KJ Annotated Anodyne C[C@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c(=O)c2Cl)C[C@@H](C)N1 ZINC000045189588 KJ Annotated Anodyne C[C@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c(=O)c2Cl)C[C@H](C)N1 ZINC000045189591 KJ Annotated Anodyne C[C@@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c(=O)c2Cl)C[C@@H](C)N1 ZINC000045189594 KJ Annotated Anodyne N#Cc1cccc(COC(=O)C2=C(COc3ccccc3Cl)NC(=O)N[C@H]2c2c[nH]c3cnccc23)c1 ZINC000045190488 KJ Annotated Mild N#Cc1cccc(COC(=O)C2=C(COc3ccccc3Cl)NC(=O)N[C@@H]2c2c[nH]c3cnccc23)c1 ZINC000045190491 KJ Annotated Mild Cc1cc(F)ccc1-c1nc(NCCCN2CCCC2=O)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000045193400 KJ Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(CCN6CCOCC6)CC5)c4)s3)[nH]c12 ZINC000045194112 KJ Annotated Anodyne COc1ccc(F)cc1-c1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cc(C)cc(Cl)c1C ZINC000045195715 KJ Annotated Anodyne c1cc2[nH]c(CCc3nc4cc(C5=N[C@@H]6CCCC[C@@H]6N5)ccc4[nH]3)nc2cc1C1=N[C@@H]2CCCC[C@@H]2N1 ZINC000045195898 KJ Annotated Anodyne c1cc2[nH]c(CCc3nc4ccc(C5=N[C@@H]6CCCC[C@@H]6N5)cc4[nH]3)nc2cc1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000045195901 KJ Annotated Anodyne c1cc2[nH]c(CCc3nc4ccc(C5=N[C@@H]6CCCC[C@H]6N5)cc4[nH]3)nc2cc1C1=N[C@@H]2CCCC[C@@H]2N1 ZINC000045195904 KJ Annotated Anodyne COc1ccc(CCNc2nc(NCCc3cnc[nH]3)nc(NCc3cccc4ccccc34)n2)cc1OC ZINC000045201190 KJ Annotated Anodyne Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C(=O)NCCN(C)C)cc(C(F)(F)F)c1)CC2 ZINC000045201300 KJ Annotated Anodyne CCCNC(=O)[C@@H]1Cc2c([nH]c3cc(Br)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045201450 KJ Annotated Anodyne CCCNC(=O)[C@H]1Cc2c([nH]c3cc(Br)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045201452 KJ Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(C(=O)c3nn(-c4ccccc4)nc3C)[C@@H](C)CN(C)C)cc2)nc1 ZINC000045201779 KJ Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(C(=O)c3nn(-c4ccccc4)nc3C)[C@H](C)CN(C)C)cc2)nc1 ZINC000045201781 KJ Annotated Anodyne Cc1cc(NCCc2ccccc2)nc(N/C(=N\c2ccc(C(F)(F)F)cc2)NCC(=O)OC(C)(C)C)n1 ZINC000045202209 KJ Annotated Mild COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=N/NC(=O)OC(C)(C)C)CC(C)C)oc12 ZINC000045227321 KJ Annotated Reactive O=C(c1ccccc1)n1ccc2cc(CNC[C@@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045253397 KJ Annotated Anodyne O=C(c1ccccc1)n1ccc2cc(CNC[C@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045253399 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000045253477 KJ Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3ccnc3Br)c(C)[nH]c(=O)c2I)c1 ZINC000045255921 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(N3CCOCC3)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045255981 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(N3CCOCC3)ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045255985 KJ Annotated Anodyne COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1N1CCN(C2CCCCC2)CC1 ZINC000045256621 KJ Annotated Anodyne O=C1OCCN1c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C1CC1)c1c[nH]nc1-2 ZINC000045258322 KJ Annotated Anodyne O=C1OCCN1c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@H](C1CC1)c1c[nH]nc1-2 ZINC000045258327 KJ Annotated Anodyne COC(=O)c1ccc2c3c(cc(N)c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@@H]3CCl ZINC000045259297 KJ Annotated Reactive COC(=O)c1ccc2c3c(cc(N)c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@H]3CCl ZINC000045259300 KJ Annotated Reactive O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12 ZINC000045259840 KJ Annotated Anodyne CCOc1cc([C@@H]2C(C#N)=C(N)N(c3cc(OC)c(OC)c(OC)c3)C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000045262069 KJ Annotated Reactive CCOc1cc([C@H]2C(C#N)=C(N)N(c3cc(OC)c(OC)c(OC)c3)C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000045262072 KJ Annotated Reactive COCC1CCN(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)CC1 ZINC000045286543 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000045287946 KJ Annotated Anodyne Cc1cc(-c2cccc(Oc3ccc(OP(=O)(O)O)cc3)c2)nc(Nc2ccc(-c3nnn[nH]3)cc2)n1 ZINC000045287958 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000045290173 KJ Annotated Anodyne CCCOc1c(C(=O)N/N=C\c2cccs2)sc(C(=O)N/N=C/c2cccs2)c1OCCC ZINC000045291840 KJ Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1O)C[C@H](C)[C@@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000045299412 KJ Annotated Anodyne CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1S(=O)(=O)c1ccc(C)cc1 ZINC000045300558 KJ Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1S(=O)(=O)c1ccc(C)cc1 ZINC000045300560 KJ Annotated Anodyne O=C(NCC1CC1)[C@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045301965 KJ Annotated Anodyne O=C(NCC1CC1)[C@@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045301967 KJ Annotated Anodyne OCCCCCCNc1nc(NCc2ccccc2-c2ccc(C(F)(F)F)cc2)nc(N2CCNCC2)n1 ZINC000045302299 KJ Annotated Anodyne COc1ccc(CNC2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCc2cccnc2)s1 ZINC000045302684 KJ Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(C(=O)c3nn(-c4ccccc4)nc3C)C3CCOCC3)cc2)nc1 ZINC000045302737 KJ Annotated Anodyne N#Cc1cncc(-c2nc3c(N4CCC(N5CCCC5)CC4)cccc3n2CCNCc2ccccc2)c1 ZINC000045302933 KJ Annotated Mild CCCNC(=O)[C@@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045302943 KJ Annotated Anodyne CCCNC(=O)[C@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045302944 KJ Annotated Anodyne COc1ccccc1CCNc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccs2)n1 ZINC000045303157 KJ Annotated Anodyne CCN1CCN(C2CCN(Cc3cc4ccc(F)cc4n(CCSc4ccccc4)c3=O)CC2)CC1 ZINC000045319845 KJ Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3cc(Br)cn3)c(C)[nH]c(=O)c2I)c1 ZINC000045321248 KJ Annotated Anodyne O=S(=O)(c1cccc(Cl)c1F)N(CCC(O)(C(F)(F)F)C(F)(F)F)Cc1cccc(O)c1 ZINC000045324898 KJ Annotated Mild COc1cc(F)c2ncc(Cl)c(CCN3CCC(NCc4ccc5c(c4)NC(=O)CS5)CC3)c2c1 ZINC000045334720 KJ Annotated Anodyne COc1ccc(-c2sc(S(=O)(=O)/N=C(\O)Nc3ncc(Br)s3)cc2C)c(C)c1 ZINC000045335411 KJ Annotated Mild C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C(=O)O)noc1COCc1ccc2ccccc2c1 ZINC000045336892 KJ Annotated Mild CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1 ZINC000045337474 KJ Annotated Anodyne Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNCc1cccc(C(C)C)c1)NC2=O ZINC000045339113 KJ Annotated Anodyne CCN(CC)CCOc1ccc(C[C@H]2COc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000045347501 KJ Annotated Anodyne Cc1cc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)ccc1Br ZINC000045350294 KJ Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(=O)OC)c2cccc(Cl)c2)C1 ZINC000045353266 KJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCN(C(=O)[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)OC(C)(C)C)C2 ZINC000045353858 KJ Annotated Anodyne CO/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)N/C=C/c1ccc(OC(C)=O)cc1 ZINC000045368647 KJ Annotated Anodyne NC(=O)C[C@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2c(Br)cccc21 ZINC000045370652 KJ Annotated Anodyne NC(=O)C[C@@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2c(Br)cccc21 ZINC000045370657 KJ Annotated Anodyne CCN(C)[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045385593 KJ Annotated Anodyne CCN(C)[C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045385597 KJ Annotated Anodyne CSCC/C=N/NC(=O)c1cnc2ccc(F)cc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C ZINC000045388561 KJ Annotated Reactive CS(=O)(=O)CNc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045389097 KJ Annotated Anodyne C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1[C@@H](C)c1ccc(F)cc1 ZINC000045389340 KJ Annotated Anodyne C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1[C@H](C)c1ccc(F)cc1 ZINC000045389344 KJ Annotated Anodyne Cn1cncc1[C@@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000045390237 KJ Annotated Anodyne COc1ccc([C@H]2C=CC[C@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045496680 KJ Annotated Anodyne COc1ccc([C@H]2/C=C/C[C@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045496682 KJ Annotated Anodyne CCOC(=O)c1cc2c(CN3CCOCC3)c(O)c(OC)cc2nc1CSc1ccc(F)c(F)c1 ZINC000045497444 KJ Annotated Clean O=C(O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000045498650 KJ Annotated Anodyne O=C(O)C[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000045498652 KJ Annotated Anodyne O=C(O)C[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000045498654 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC(C)=O)c(C)c4oc3=O)ccc2OC)c1 ZINC000047472373 KJ Annotated Anodyne CO[C@@H]1[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]2O[C@@]2(COC(=O)c2ccccc2)CC[C@H]2[C@@H]1C2(C)C ZINC000473081772 KJ Annotated Anodyne COc1ccccc1[C@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl ZINC000473081791 KJ Annotated Reactive COc1ccccc1[C@@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl ZINC000473081792 KJ Annotated Reactive CN1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(=Nc4cc(C5CC5)[nH]n4)[nH]3)c2)[C@@H](c2ccccc2)C1 ZINC000473081799 KJ Annotated Anodyne CN1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(=Nc4cc(C5CC5)[nH]n4)[nH]3)c2)[C@H](c2ccccc2)C1 ZINC000473081800 KJ Annotated Anodyne O=C(C[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000473082033 KJ Annotated Bother O=C(C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000473082034 KJ Annotated Bother COc1c(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc(-n2cnc(C)c2)c1F ZINC000473082644 KJ Annotated Anodyne O=C1N(Cc2ccccc2Br)c2cccn2S(=O)(=O)N1Cc1cccc(Br)c1 ZINC000473082996 KJ Annotated Anodyne COc1ccc([C@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1 ZINC000473083219 KJ Annotated Reactive COc1ccc([C@@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1 ZINC000473083220 KJ Annotated Reactive COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCN3CCN(C)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473083227 KJ Annotated Anodyne COc1ccc(C/N=C(/C)Nc2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 ZINC000473084064 KJ Annotated Mild COc1cccc([C@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)c1 ZINC000473084169 KJ Annotated Reactive COc1cccc([C@@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)c1 ZINC000473084170 KJ Annotated Reactive CC(C)n1[nH]c(=NC(=O)[C@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@H]3C2)c1 ZINC000473085504 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)[C@@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@H]3C2)c1 ZINC000473085505 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)[C@@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@@H]3C2)c1 ZINC000473085506 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)[C@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@H]3C2)c1 ZINC000473085507 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)[C@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@@H]3C2)c1 ZINC000473085508 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)[C@@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@H]3C2)c1 ZINC000473085509 KJ Annotated Anodyne O=C(C[C@@]1(O)c2cccc(Br)c2-n2c1nc1ccccc1c2=O)c1ccc(Br)cc1 ZINC000473086000 KJ Annotated Anodyne O=C(C[C@]1(O)c2cccc(Br)c2-n2c1nc1ccccc1c2=O)c1ccc(Br)cc1 ZINC000473086005 KJ Annotated Anodyne COc1ccc(CC/N=C(/C)Nc2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 ZINC000473086345 KJ Annotated Mild COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCN3CCN(CCO)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473087630 KJ Annotated Anodyne CC(C)(C)c1cc(=NC(=O)Nc2cccc(Oc3cncc(-c4ccc(S(C)(=O)=O)cc4)n3)c2)[nH]o1 ZINC000473087867 KJ Annotated Anodyne COc1ccccc1C/N=C(/C)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 ZINC000473088029 KJ Annotated Mild COc1cc(OC)c(C(=O)N2C(=O)C(c3ccc(OC)c(OC)c3)=C(c3ccc(OC)c(OC)c3)C2=O)cc1Br ZINC000473088063 KJ Annotated Anodyne COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCN3CCOCC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473088397 KJ Annotated Anodyne COC(=O)CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 ZINC000473088678 KJ Annotated Reactive Cc1cccc(Nc2ccccc2C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NS(=O)(=O)C3CC3)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2)c1C ZINC000473088718 KJ Annotated Anodyne c1csc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4cccs4)nc4ncccn34)CC2)c1 ZINC000473089020 KJ Annotated Anodyne O=C(Cc1ccc(Br)cc1)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F ZINC000473090069 KJ Annotated Anodyne O=C(Cc1ccc(Br)cc1)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F ZINC000473090070 KJ Annotated Anodyne Cc1cc(Nc2ncc(Cl)c(=Nc3cn(C)nc3S(=O)(=O)C(C)C)[nH]2)c(OC2CC2)cc1C(=O)C(C)C ZINC000473091521 KJ Annotated Anodyne Cc1c(CNC(=O)c2ccc(Br)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(Br)cc1)CCC2 ZINC000473091980 KJ Annotated Anodyne O=C(NCc1ccccc1)[C@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000473095990 KJ Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000473096037 KJ Annotated Anodyne O=C(NCc1ccccc1)[C@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000473096042 KJ Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000473096045 KJ Annotated Anodyne CCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)(C)C)[C@H]2OC(C)=O)[C@H]1O ZINC000473096858 KJ Annotated Mild COc1cc(-c2cn([C@H]3CSc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473096880 KJ Annotated Anodyne COc1cc(-c2cn([C@@H]3CSc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473096883 KJ Annotated Anodyne CCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@H]2OC(C)=O)[C@H]1O ZINC000473096978 KJ Annotated Mild COc1cc(-c2cn([C@@H]3CCc4ccccc4N(Cc4cccnc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473098020 KJ Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(Cc4cccnc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473098029 KJ Annotated Anodyne CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4cc(I)ccc4n3)cc2)[nH]o1 ZINC000473100593 KJ Annotated Anodyne CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C(=O)C1=O ZINC000473101468 KJ Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)/C(=N/Nc3ccc(Br)cn3)C[C@H]1[C@@H]2C(=O)OC ZINC000473101824 KJ Annotated Mild CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)/C(=N/Nc3ccc(Br)cn3)C[C@H]1[C@@H]2C(=O)OC ZINC000473101836 KJ Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCC(=O)Nc1ccc3[nH]ccc3c1)C2 ZINC000473106311 KJ Annotated Anodyne CC(=O)Nc1nc(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)n(C(C)C)n1 ZINC000473106442 KJ Annotated Anodyne CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 ZINC000473106845 KJ Annotated Anodyne CSc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(SC)cc3)c3[n+](c2C)CCC3)cc1 ZINC000473106869 KJ Annotated Anodyne CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCC(C(C)(C)C)CC2)C(=O)C1=O ZINC000473107485 KJ Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N[C@@H](CO)C(=O)OC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000473107487 KJ Annotated Anodyne CCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@H]2OC(C)=O)[C@H]1O ZINC000473108842 KJ Annotated Mild CN1C[C@@H](c2ccccc2)[C@@]2(N=C(c3ccccc3)OC2=O)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000473109491 KJ Annotated Anodyne O=C1Nc2ccccc2[C@@]12N1CCC[C@@H]1[C@@H](c1ccc(C(F)(F)F)cc1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473110529 KJ Annotated Anodyne CC(=O)O[C@H](C(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(/C=C/C2=CC(=O)OC2)[C@@]1(C)O)C(C)C ZINC000473111562 KJ Annotated Anodyne CC(=O)O[C@@H](C(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(/C=C/C2=CC(=O)OC2)[C@@]1(C)O)C(C)C ZINC000473111565 KJ Annotated Anodyne COc1nc(OC)nc(-c2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)n3c(-c4ccccc4)cccc23)n1 ZINC000473114059 KJ Annotated Anodyne C=C1[C@@H](O)CC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000473114065 KJ Annotated Mild C#CCOC(C)(C)[C@@H](Br)[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)C(C=O)=CC[C@@H]23)O1 ZINC000473115446 KJ Annotated Reactive OC[C@@H](O)c1cccc(-c2ccc3c(c2)CN(Cc2ncc[nH]2)CCN3c2ccc(C(F)(F)F)cc2)n1 ZINC000473119677 KJ Annotated Anodyne CN1c2ccc(NCc3ccc(-c4noc(CCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 ZINC000473120301 KJ Annotated Clean CN1c2ccc(NCc3ccc(-c4noc(CCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 ZINC000473120311 KJ Annotated Clean COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)/C=C/c1ccccc1 ZINC000473120377 KJ Annotated Anodyne COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)/C=C/c1ccccc1 ZINC000473120382 KJ Annotated Anodyne C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)c4ccc(O)cc4)[C@]3(C)C(=O)O)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)[C@](C)(CO)[C@@H]3C[C@H](O)[C@@]1(O)C2 ZINC000473120500 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(-n3cc(COC4=CC(=O)Cc5ccccc54)nn3)cc2)c(OC)c1OC ZINC000473120632 KJ Annotated Mild COC(=O)c1ccc2c(c1)c(NC[C@@H](O)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]3O[C@@]4(C)CC[C@H]5CCC[C@@H]([C@H]1C)[C@]53OO4)c1c3ccccc3nc-1n2C ZINC000473121110 KJ Annotated Reactive COC(=O)c1ccc2c(c1)c(NC[C@H](O)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]3O[C@@]4(C)CC[C@H]5CCC[C@@H]([C@H]1C)[C@]53OO4)c1c3ccccc3nc-1n2C ZINC000473121115 KJ Annotated Reactive CC(=O)OC[C@]1(C)[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@]23OC[C@@]4(CCC(C)(C)C[C@H]42)[C@@H](O)C[C@]31C ZINC000473121180 KJ Annotated Anodyne O=C(Cn1c(=O)ccn(CCCCCOc2ccc(Br)cc2)c1=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000473121571 KJ Annotated Anodyne CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(C(=O)OCc5ccc(C#N)cc5)cc4)c3cc21 ZINC000473121581 KJ Annotated Mild O=C1NC[C@@H](Cc2ccccc2)N(C[C@@H]2CCCN2C[C@@H](CC2CCCCC2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000473121606 KJ Annotated Anodyne COc1ccc(CC(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473121836 KJ Annotated Anodyne COc1cccc2c1C(=O)[C@@H]1C[C@@H]3C(=CC[C@@H]4C(=O)NC(=O)[C@@H]43)[C@H](c3ccc(C(F)(F)F)cc3)[C@]1(C)C2=O ZINC000473122044 KJ Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCOCCOCCOCCOCCOCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000473123228 KJ Annotated Clean CN(C)c1ccc([C@H]2CC(c3ccco3)=NN2c2ccc(S(=O)(=O)NC(=O)NCc3ccccc3)cc2)cc1 ZINC000473124137 KJ Annotated Clean CN(C)c1ccc([C@@H]2CC(c3ccco3)=NN2c2ccc(S(=O)(=O)NC(=O)NCc3ccccc3)cc2)cc1 ZINC000473124138 KJ Annotated Clean COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)CCc1cc(OC)c(OC)c(OC)c1)C2 ZINC000473124606 KJ Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)C(C)C)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000473124764 KJ Annotated Anodyne CN1c2ccc(NCc3ccc(-c4noc(CCCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 ZINC000473125496 KJ Annotated Clean CN1c2ccc(NCc3ccc(-c4noc(CCCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 ZINC000473125497 KJ Annotated Clean CCCN(CCCNC(=O)OC(C)(C)C)CCc1cccc2c1CC(=O)N2CCCNC(=O)OC(C)(C)C ZINC000473125521 KJ Annotated Anodyne COc1ccc(CCC(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473125569 KJ Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)Cc1cc(OC)c(OC)c(OC)c1)C2 ZINC000473125680 KJ Annotated Anodyne CCCC[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2CCC)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000473125761 KJ Annotated Anodyne COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000473126345 KJ Annotated Anodyne COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000473126346 KJ Annotated Anodyne C[C@@]12C[C@@H]3C(=CC[C@@H]4C(=O)N(CCC(=O)O)C(=O)[C@@H]43)[C@H](c3ccc(Br)cc3)[C@@H]1C(=O)c1ccccc1C2=O ZINC000473126382 KJ Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCOCCOCCOCCOCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000473126656 KJ Annotated Clean COc1cc(-c2cn([C@@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1ccc(C)n1 ZINC000473127132 KJ Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1ccc(C)n1 ZINC000473127139 KJ Annotated Anodyne CN1c2ccc(NCc3ccc(-c4nnc(CCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 ZINC000473127349 KJ Annotated Clean CN1c2ccc(NCc3ccc(-c4nnc(CCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 ZINC000473127351 KJ Annotated Clean O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4ccc(F)cc4)c3c2)c1F)c1cccnc1 ZINC000473127366 KJ Annotated Mild COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C2=O ZINC000473127952 KJ Annotated Anodyne COc1cccc2c1C(=O)[C@@H]1C[C@@H]3C(=CC[C@@H]4C(=O)N(CCC(=O)O)C(=O)[C@@H]43)[C@H](c3ccc(Br)cc3)[C@]1(C)C2=O ZINC000473128011 KJ Annotated Clean CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)Cc4ccsc4)[C@@H](C)C3)nc12 ZINC000473128030 KJ Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)CCc1ccc(OC)c(OC)c1)C2 ZINC000473128166 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473128174 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473128176 KJ Annotated Anodyne CN1c2ccc(NCc3ccc(-c4nnc(CCCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 ZINC000473128178 KJ Annotated Clean CN1c2ccc(NCc3ccc(-c4nnc(CCCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 ZINC000473128181 KJ Annotated Clean COc1cc(-c2cn([C@@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cc(C)cn1 ZINC000473128451 KJ Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cc(C)cn1 ZINC000473128452 KJ Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)C(=O)[C@@H](O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000473128604 KJ Annotated Mild C[C@@H](C#N)NC(=O)[C@@H]1C[C@@H](F)CC[C@H]1c1nc(C2(C(F)(F)F)CC2)sc1-c1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000473129505 KJ Annotated Mild COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-c1nnc(C)o1 ZINC000473130907 KJ Annotated Anodyne COc1cc(-n2cnc(C)c2)c(F)cc1-c1cn([C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)nn1 ZINC000473131787 KJ Annotated Anodyne COc1cc(-n2cnc(C)c2)c(F)cc1-c1cn([C@@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)nn1 ZINC000473131788 KJ Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)[C@@H](O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000473131815 KJ Annotated Anodyne C=C(C)[C@@H]1C[C@@H](O)[C@@]2(C)C3=C[C@H](OC(C)=O)[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]2[C@@]1(C)[C@@H](O)CC(=O)OC ZINC000473132436 KJ Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35C[C@@H](O)[C@]2(C)[C@H]1[C@]1(C)CC[C@H](C(C)(C)O)O1 ZINC000473132710 KJ Annotated Anodyne COc1c(-n2cnc(C)c2)ccc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)c1F ZINC000473132722 KJ Annotated Anodyne C/C1=C\[C@@H](C)C/C=C/[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1 ZINC000473132723 KJ Annotated Anodyne COc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)c(OC)c4C5=O)c2c1)C[C@@H](C)OC3=O ZINC000473133148 KJ Annotated Clean COc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)c(OC)c4C5=O)c2c1)C[C@H](C)OC3=O ZINC000473133152 KJ Annotated Clean CC(C)=CC[C@]12C[C@@H]3[C@@H]4[C@@H](O)C(C)(C)[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473133694 KJ Annotated Anodyne CN=c1cc2c(c[nH]1)cc(-c1ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)no3)c1)c(=O)n2[C@H]1CCOC1 ZINC000473134048 KJ Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)[C@](C)(O)CO)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000473134334 KJ Annotated Anodyne COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1 ZINC000473134397 KJ Annotated Anodyne NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135014 KJ Annotated Anodyne NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135018 KJ Annotated Anodyne CC(=O)O[C@@H](CC1=C(O)C(=O)OC1)[C@]1(C)[C@@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2ccccc2)[C@]1(C)O ZINC000473135444 KJ Annotated Anodyne O=C1CCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)OCc1ccccc1)CC2 ZINC000473135631 KJ Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2 ZINC000473135668 KJ Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2 ZINC000473135669 KJ Annotated Anodyne C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000473135697 KJ Annotated Anodyne NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135739 KJ Annotated Anodyne COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccc(F)cc3C(F)(F)F)CCO4)CC2)ccn1 ZINC000473135790 KJ Annotated Anodyne O=C1CCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2 ZINC000473136132 KJ Annotated Anodyne CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2nc(C)n(CCc3ccc(F)cc3)c12 ZINC000473136161 KJ Annotated Anodyne CC(=O)Nc1ccc(-c2nc(SCc3cccc(CCC(=O)N4CCN(CCCCN5CCC(C)CC5)CC4)n3)[nH]c(=N)c2C#N)cc1 ZINC000473136412 KJ Annotated Mild CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(NC(=O)c5ccc(F)cc5)c4)c23)CC1 ZINC000473136413 KJ Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(SC(F)(F)F)cc3)=NC2=N1 ZINC000473136516 KJ Annotated Clean CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(SC(F)(F)F)cc3)=NC2=N1 ZINC000473136523 KJ Annotated Clean Cc1cn([C@H]2C[C@H](N3C(=O)CS[C@H]3c3ccc4[nH]ccc4c3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473137650 KJ Annotated Reactive Cc1cn([C@H]2C[C@H](N3C(=O)CS[C@@H]3c3ccc4[nH]ccc4c3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473137651 KJ Annotated Reactive COc1cc(/C=C/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473144193 KJ Annotated Mild CCOC(=O)c1c[nH]c2ccc(C(F)(F)F)cc2c1=Nc1ccc(OCCCN2CCOCC2)cc1 ZINC000473144210 KJ Annotated Anodyne COC(=O)[C@@H]1N2C(=O)[C@H](Cl)[C@H]2S[C@@]1(C)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000473145192 KJ Annotated Reactive CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](NC(=O)OCC)CC2 ZINC000473145379 KJ Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](NC(=O)OCC)CC2 ZINC000473145381 KJ Annotated Anodyne CCCCCCCCCC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O ZINC000473145560 KJ Annotated Mild CCCCCCCCCC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O ZINC000473148649 KJ Annotated Mild CCOC(=O)c1c[nH]c2ccc(C(F)(F)F)cc2c1=Nc1ccc(NCCCN2CCOCC2)cc1 ZINC000473149185 KJ Annotated Anodyne CCCCCCCCCC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O ZINC000473149614 KJ Annotated Mild COc1ccc2[nH]c3c(c(=NCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473149623 KJ Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473149624 KJ Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473150508 KJ Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccco2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473151830 KJ Annotated Mild CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O ZINC000473152454 KJ Annotated Mild CCCCCCCCCC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O ZINC000473152897 KJ Annotated Mild CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O ZINC000473153246 KJ Annotated Mild CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473153282 KJ Annotated Anodyne O=S1(=O)[C@@H](c2ccccc2)CC[C@H](C(F)F)N1Cc1ccc(N2CCC(n3cnnc3)CC2)cc1F ZINC000473154085 KJ Annotated Clean COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473154199 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473154200 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473154201 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473154202 KJ Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccco2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473154282 KJ Annotated Mild CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473154354 KJ Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473154355 KJ Annotated Anodyne COc1cc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2cccs2)cc(OC)c1OC ZINC000473154363 KJ Annotated Anodyne COc1cc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2cccs2)cc(OC)c1OC ZINC000473154364 KJ Annotated Anodyne COc1cc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2cccs2)cc(OC)c1OC ZINC000473154365 KJ Annotated Anodyne COc1cc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2cccs2)cc(OC)c1OC ZINC000473154366 KJ Annotated Anodyne O=C1N[C@@](O)(CCn2cnc3ccn(CC[C@]4(O)NC(=O)C(OCc5ccccc5)=C4OCc4ccccc4)c3c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154673 KJ Annotated Anodyne O=C1N[C@](O)(CCn2ccc3ncn(CC[C@]4(O)NC(=O)C(OCc5ccccc5)=C4OCc4ccccc4)c(=O)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154674 KJ Annotated Anodyne O=C1N[C@](O)(CCn2cnc3ccn(CC[C@]4(O)NC(=O)C(OCc5ccccc5)=C4OCc4ccccc4)c3c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154675 KJ Annotated Anodyne O=C1N[C@](O)(CCn2cnc3ccn(CC[C@@]4(O)NC(=O)C(OCc5ccccc5)=C4OCc4ccccc4)c3c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154676 KJ Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2CCCN2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000473154679 KJ Annotated Anodyne CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN[C@@H]1Cc1ccc(C(N)=NC(=O)OC(C)C)cc1)c1ccccc1 ZINC000473154716 KJ Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN[C@H]1Cc1ccc(C(N)=NC(=O)OC(C)C)cc1)c1ccccc1 ZINC000473154717 KJ Annotated Mild CC1(COc2ncc(N3C(=O)C4(CC4)c4cc5c(NS(=O)(=O)C6CC6)noc5cc43)cc2Cl)CC1 ZINC000473154887 KJ Annotated Anodyne O=C1N[C@@](O)(/C=C\n2cc(I)c3c(Cl)ncnc32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154959 KJ Annotated Anodyne O=C1N[C@](O)(/C=C\n2cc(I)c3c(Cl)ncnc32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154960 KJ Annotated Anodyne CCCCCOC(=O)N=C(N)c1ccc(C[C@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc23)cc1 ZINC000473154969 KJ Annotated Mild CCCCCOC(=O)N=C(N)c1ccc(C[C@@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc23)cc1 ZINC000473154970 KJ Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN[C@H]1Cc1ccc(C(N)=NC(=O)OCc2ccccc2)cc1)c1ccccn1 ZINC000473154976 KJ Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN[C@@H]1Cc1ccc(C(N)=NC(=O)OCc2ccccc2)cc1)c1ccccn1 ZINC000473154977 KJ Annotated Mild COC(=O)CN(c1ccc(CN(c2ccc(N(Cc3cccc(Cl)c3)S(C)(=O)=O)cc2)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000473155025 KJ Annotated Anodyne CCCCCCCCCC(=O)N[C@H](CC(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O)Cc1ccccc1 ZINC000473155152 KJ Annotated Mild Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2ncc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473155297 KJ Annotated Anodyne CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN[C@@H]1Cc1ccc(C(N)=NC(=O)OC(C)(C)C)cc1)c1ccccn1 ZINC000473155991 KJ Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN[C@H]1Cc1ccc(C(N)=NC(=O)OC(C)(C)C)cc1)c1ccccn1 ZINC000473155992 KJ Annotated Mild COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473156941 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473156950 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473156953 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473156963 KJ Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473158143 KJ Annotated Anodyne CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OCC)[C@@H]1Cc1ccc(C(N)=NC(=O)OCC)cc1)c1ccccn1 ZINC000473158166 KJ Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OCC)[C@H]1Cc1ccc(C(N)=NC(=O)OCC)cc1)c1ccccn1 ZINC000473158168 KJ Annotated Mild COc1cc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(CC(F)(F)F)cc1 ZINC000473159171 KJ Annotated Anodyne Ic1ccccc1Oc1nc2nonc2nc1Oc1ccccc1I ZINC000473159173 KJ Annotated Anodyne COc1cc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(OC(F)(F)F)cc1 ZINC000473159235 KJ Annotated Anodyne COc1cc([C@H](C)n2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159294 KJ Annotated Anodyne COc1cc([C@@H](C)n2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159304 KJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2cccs2)cc1 ZINC000473159440 KJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2cccs2)cc1 ZINC000473159455 KJ Annotated Anodyne COc1ccc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2cccs2)cc1 ZINC000473159465 KJ Annotated Anodyne COc1ccc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2cccs2)cc1 ZINC000473159477 KJ Annotated Anodyne Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cn(C(C)C)nn1)C3 ZINC000473160503 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CCC[C@H](N)C2)nc1 ZINC000473164809 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CCC[C@@H](N)C2)nc1 ZINC000473164816 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN2CCNCC2)CC1 ZINC000473164839 KJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473164963 KJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473164964 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000473164984 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@H](N)C(C)C)CC1 ZINC000473164985 KJ Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCN2CCCCC2)cc1 ZINC000473164991 KJ Annotated Anodyne N[C@H]1CCCN(c2ccc(N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1 ZINC000473164998 KJ Annotated Anodyne N[C@@H]1CCCN(c2ccc(N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1 ZINC000473164999 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN2CCN(C)CC2)CC1 ZINC000473165185 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2)CC1 ZINC000473165263 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473169847 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473169852 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473169857 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473169863 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(Br)cc2)S3)cc(OC)c1OC ZINC000473169998 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(Br)cc2)S3)cc(OC)c1OC ZINC000473170004 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(Br)cc2)S3)cc(OC)c1OC ZINC000473170007 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Br)cc2)S3)cc(OC)c1OC ZINC000473170011 KJ Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@@H](NC(=O)OCC)CC2 ZINC000473170815 KJ Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@@H](NC(=O)OCC)CC2 ZINC000473170817 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2cccc(Br)c2)S3)cc(OC)c1OC ZINC000473172842 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2cccc(Br)c2)S3)cc(OC)c1OC ZINC000473172843 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2cccc(Br)c2)S3)cc(OC)c1OC ZINC000473172844 KJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2cccc(Br)c2)S3)cc(OC)c1OC ZINC000473172845 KJ Annotated Anodyne CN(C)CC[C@H]1CC[C@@H](NC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1 ZINC000473179404 KJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CC[C@H](N)C5)CC4)c3c2)cc(Cl)c1O ZINC000473179706 KJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CC[C@@H](N)C5)CC4)c3c2)cc(Cl)c1O ZINC000473179707 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCNCC2)CC1 ZINC000473179730 KJ Annotated Anodyne Cc1cc([C@H](C)N(Cc2ccc(OCCN3C(=O)CCC3=O)c(C)c2)[C@H]2C[C@@H](C(=O)O)C2)ccc1Cl ZINC000473179735 KJ Annotated Anodyne Cc1cc([C@H](C)N(Cc2ccc(OCCN3C(=O)CCC3=O)c(C)c2)[C@@H]2C[C@@H](C(=O)O)C2)ccc1Cl ZINC000473179736 KJ Annotated Anodyne O=S(=O)(N=c1nc[nH]s1)N1CCc2c(cccc2-c2c(Br)cc(C(F)(F)F)cc2C2=CCNCC2)C1 ZINC000473182945 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)CN(C)C)CC1 ZINC000473183006 KJ Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C)c3ccccc3C[C@@H]1C2(C)C ZINC000473183066 KJ Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(C)c3ccccc3C[C@@H]1C2(C)C ZINC000473183078 KJ Annotated Anodyne CCN(c1cc(-c2cn(C)cn2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473183133 KJ 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]2CCCN2C)CC1 ZINC000473183382 KJ 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]2CCCN2C)CC1 ZINC000473183383 KJ Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CCC[C@H](N)C2)nc1 ZINC000473194468 KJ Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CCC[C@@H](N)C2)nc1 ZINC000473194469 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@H](C)N)CC1 ZINC000473197534 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](C(=O)NCCN(C)C)CC1 ZINC000473197875 KJ 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](N)C(C)C)CC1 ZINC000473198562 KJ 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](N)C(C)C)CC1 ZINC000473198563 KJ 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]2CCCN2)CC1 ZINC000473199039 KJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(S(C)(=O)=O)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473210102 KJ Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(S(C)(=O)=O)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473210139 KJ Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](NC(=O)OCC)CC2)C1CC1 ZINC000473210151 KJ Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](NC(=O)OCC)CC2)C1CC1 ZINC000473210152 KJ Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc([C@@H]6CCCNC6)o5)ccc43)cc2OC)cn1 ZINC000473210246 KJ Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc([C@H]6CCCNC6)o5)ccc43)cc2OC)cn1 ZINC000473210247 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)CCO)CC1 ZINC000473213463 KJ Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(S(C)(=O)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 ZINC000473213469 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CC[C@@H](N(C)C)C2)nc1 ZINC000473213479 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CC[C@H](N(C)C)C2)nc1 ZINC000473213480 KJ Annotated Anodyne CN(C)Cc1ccc(N=c2c(S(C)(=O)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)cc1 ZINC000473213493 KJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000473213512 KJ Annotated Anodyne CN[C@H]1CCN(c2ccc(N=c3c(C(C)=O)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc34)cn2)C1 ZINC000473213515 KJ Annotated Anodyne CN[C@@H]1CCN(c2ccc(N=c3c(C(C)=O)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc34)cn2)C1 ZINC000473213516 KJ Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(-c5noc(C6CCNCC6)n5)ccc43)cc2OC)cn1 ZINC000473215176 KJ Annotated Anodyne O=C(O)CN1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 ZINC000473215304 KJ Annotated Anodyne O=C(O)CN1CCN(c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 ZINC000473215352 KJ Annotated Anodyne COc1cc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000473215484 KJ Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccc(P(C)(C)=O)nc5)cnc43)cc2OC)cc1 ZINC000473215485 KJ Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2cccc(-c3ccc(C(=O)NC)cc3)c2CCN1C(=O)/C=C/c1c(-n2cnnn2)ccc(Cl)c1F ZINC000473220485 KJ Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2cccc(-c3ccc(C(=O)NC)cc3)c2CCN1C(=O)/C=C/c1c(-n2cnnn2)ccc(Cl)c1F ZINC000473220492 KJ Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc(NC(=O)OC)cc2)C1 ZINC000473220629 KJ Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(NC(=O)OC)cc2)C1 ZINC000473220632 KJ Annotated Anodyne COc1cc(CN(C[C@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473227503 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473227504 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473227505 KJ Annotated Anodyne COc1cc(CN(C[C@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473227508 KJ Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(C#N)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473228731 KJ Annotated Mild Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(C#N)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473228732 KJ Annotated Mild COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228765 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228766 KJ Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473228767 KJ Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473228768 KJ Annotated Anodyne CC[C@@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228783 KJ Annotated Anodyne CC[C@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228784 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228793 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CCC[C@@H](C(=O)O)C2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473228840 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CCC[C@@H](C(=O)O)C2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473228891 KJ Annotated Anodyne COc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473229048 KJ Annotated Anodyne COc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473229057 KJ Annotated Anodyne CCc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473229072 KJ Annotated Anodyne CCc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473229074 KJ Annotated Anodyne Cc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473229089 KJ Annotated Anodyne Cc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473229095 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCC3)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473233239 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCC3)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473233241 KJ Annotated Anodyne C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H]([C@H](C)O)[C@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000473235332 KJ Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](C(=O)C(=O)NC3CC3)c3ccccc3)C2=O)cc1 ZINC000473240747 KJ Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](C(=O)C(=O)NC3CC3)c3ccccc3)C2=O)cc1 ZINC000473240757 KJ Annotated Anodyne Cc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243851 KJ Annotated Anodyne Cc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243856 KJ Annotated Anodyne CCN(c1cc(-c2cnccn2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473243908 KJ Annotated Anodyne CCN(c1cc(-c2nccn2C)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473243974 KJ Annotated Anodyne Cc1cc([C@@H](C)N(Cc2ccc(OCCN3C(=O)CCC3=O)c(C)c2)[C@H]2C[C@@H](C(=O)O)C2)ccc1Cl ZINC000473244599 KJ Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(CO)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473244615 KJ Annotated Anodyne C[C@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(CO)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473244619 KJ Annotated Anodyne CCN(c1cc(-c2ccn(C)n2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473245004 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(C)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473245244 KJ Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(C)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473245263 KJ Annotated Anodyne CCN(c1cc(-c2cncnc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473245310 KJ Annotated Anodyne CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(CN(C)C)nc3)cc(C(=O)NCc3c(C)cc(C)nc3O)c2C)CC1 ZINC000473245311 KJ Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)COc3ccc4c(C(F)(F)F)noc4c3)[C@H]12 ZINC000473247189 KJ Annotated Mild CNC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473247259 KJ Annotated Anodyne CNC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473247260 KJ Annotated Anodyne CNC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473247261 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)CN(C)C)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@H]3C2)c1 ZINC000473247499 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)CN(C)C)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@H]3C2)c1 ZINC000473247500 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)CN(C)C)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@@H]3C2)c1 ZINC000473247501 KJ Annotated Anodyne CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)[C@H]1C(=O)OC[C@@H]3[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@@]3(C)[C@]1(C)C[C@H]2O ZINC000473247504 KJ Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C2COC2)n1 ZINC000473247709 KJ Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C2COC2)n1 ZINC000473247710 KJ Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C2COC2)n1 ZINC000473247711 KJ Annotated Anodyne O=C(Cn1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nn1)Nc1c(C(F)(F)F)n[nH]c1-c1ccccc1 ZINC000473247925 KJ Annotated Reactive C/C=C1\CN(C(=O)N2C/C(=C\C)[C@@H]3C[C@H]4OC[C@@H]3[C@@H]2C[C@@]42C(=O)N(OC)c3cc(OC)ccc32)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000473248225 KJ Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)[C@H](OC(=O)C[C@@H]4[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]43C)[C@@H]2C1 ZINC000473248227 KJ Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)OC(=O)[C@H]13 ZINC000473248913 KJ Annotated Reactive O=C(Cn1cc(CNc2cccc(C(F)(F)F)c2)nn1)Nc1c(C(F)(F)F)n[nH]c1-c1ccccc1 ZINC000473248936 KJ Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000473249051 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)N2CC3(COC3)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@@H]3C2)c1 ZINC000473249066 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)N2CC3(COC3)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@H]3C2)c1 ZINC000473249067 KJ Annotated Anodyne CC(C)n1[nH]c(=NC(=O)N2CC3(COC3)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@H]3C2)c1 ZINC000473249068 KJ Annotated Anodyne CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)[C@H]1C(=O)C[C@@H]3[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@@]3(C)[C@]1(C)C[C@H]2O ZINC000473249371 KJ Annotated Anodyne Fc1ccc(I)cc1[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249908 KJ Annotated Anodyne Fc1ccc(I)cc1[C@@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249909 KJ Annotated Anodyne Fc1ccc(I)cc1[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249910 KJ Annotated Anodyne Fc1ccc(I)cc1[C@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249911 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H](n3cc(-c4ccccc4)nn3)CN2C(=O)[C@@H](NC(=O)c2cccs2)C2CCCCC2)cc1 ZINC000474602052 KJ Annotated Anodyne CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OCC(F)(F)F)cc(C)nc3O)c3ccccc32)CC1 ZINC000474602143 KJ Annotated Anodyne COC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NCc1cc(N(C)C)cc(CN[C@@H](Cc2cnc[nH]2)C(=O)OC)n1 ZINC000474603500 KJ Annotated Anodyne CC1=NOC(=O)/C1=C/c1c(COCc2cn(Cc3ccc(OC(F)(F)F)cc3)nn2)n(C)c2ccc(F)cc12 ZINC000474607071 KJ Annotated Mild Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F ZINC000474609627 KJ Annotated Mild O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)/C(=N\O)c1ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc1/C2=N/O ZINC000474609723 KJ Annotated Mild Cc1ccc(S(=O)(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H](n3cc(-c4ccccc4)nn3)CN2C(=O)[C@@H](NC(=O)c2ccccc2)C2CCCCC2)cc1 ZINC000474609742 KJ Annotated Anodyne CCCc1cc(C)nc(O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(S(=O)(=O)CC)CC2)c2ccccc12 ZINC000474609839 KJ Annotated Anodyne COc1ccc(-c2cc(C(=O)Nc3ccc(-c4nccn4-c4ccnc(NC[C@H](C)O)n4)cc3)co2)cc1 ZINC000049035649 KJ Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049036359 KJ Annotated Mild CC(C)Cc1ccc([C@H](C)c2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049036361 KJ Annotated Mild C[C@H](O)CNc1nccc(-n2ccnc2-c2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)n1 ZINC000049045970 KJ Annotated Anodyne N#C/C(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1\SCCN1c1ccccc1 ZINC000049048626 KJ Annotated Reactive N#C/C(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1\SCCN1c1ccccc1 ZINC000049048630 KJ Annotated Reactive N#C/C(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1\SCCN1c1ccccc1 ZINC000049048633 KJ Annotated Reactive N#C/C(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1\SCCN1c1ccccc1 ZINC000049048637 KJ Annotated Reactive CC(=N\NC(=O)c1oc2ccccc2c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000049050293 KJ Annotated Reactive CN(C)/C=C/C(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccccc1 ZINC000049053165 KJ Annotated Mild CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049053783 KJ Annotated Mild CC(C)Cc1ccc([C@H](C)c2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049053786 KJ Annotated Mild C[C@H](O)CNc1nccc(-n2ccnc2-c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)n1 ZINC000049054800 KJ Annotated Anodyne CC[C@@H]1C[C@H]2C[C@@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@H]2NS1(=O)=O ZINC000049072062 KJ Annotated Anodyne Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(-c3ccc(C(=O)N4C[C@@H]5CC[C@H](C4)O5)cc3)ccnc21 ZINC000049087733 KJ Annotated Mild C=CCNC(=O)NNC(=O)c1sc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)nc1C ZINC000049109801 KJ Annotated Reactive Cc1c([C@@H]2c3ccccc3S(=O)(=O)N2CCOc2ccc(Cl)cc2)c2ccccc2n1CC(=O)O ZINC000049110457 KJ Annotated Anodyne Cc1c([C@H]2c3ccccc3S(=O)(=O)N2CCOc2ccc(Cl)cc2)c2ccccc2n1CC(=O)O ZINC000049110459 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(O)cc2O)N=C(Nc2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000049110549 KJ Annotated Clean CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(O)cc2O)N=C(Nc2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000049110551 KJ Annotated Clean CN1CCN(c2ccc(-c3cnc4cccc(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cc2)CC1 ZINC000049111971 KJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000049113447 KJ Annotated Anodyne CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1ccccc1 ZINC000049114764 KJ Annotated Bother CCCCCCCNC(=S)N/N=C/c1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(OC)c1CC2)C(=O)c1c(cc(O)c(C)c1O)C3=O ZINC000049589029 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000049592821 KJ Annotated Mild CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000049592823 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000049593108 KJ Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000049593111 KJ Annotated Anodyne CC(=O)c1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(Cc3cccs3)S(=O)(=O)c3cc(F)c(F)cc3F)OC2=O)cc1 ZINC000049599747 KJ Annotated Anodyne Cc1cc(F)ccc1-c1nc(NC[C@H](O)CNCCc2ccccc2)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000049604983 KJ Annotated Anodyne Cc1cc(F)ccc1-c1nc(NC[C@@H](O)CNCCc2ccccc2)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000049604984 KJ Annotated Anodyne COc1cc2nc(NCC3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5C)cc4)CC3)nc(N)c2cc1OC ZINC000049605007 KJ Annotated Anodyne O=C(NCCNc1nc(NCCNC(=O)Nc2ccccc2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1)Nc1ccccc1 ZINC000049605332 KJ Annotated Anodyne Cn1c(Nc2nnc(C3CC3)s2)nc2cc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)ccc21 ZINC000049605408 KJ Annotated Anodyne Cc1ccn2c(C(=O)N3CCN(c4cccc5c4nc(-c4ccoc4)n5Cc4ccccn4)CC3)c(C)nc2c1 ZINC000049605441 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1csc([C@H]2CCCN(C(=O)c3ccc(O)c(-c4cc(Cl)cc(Cl)c4)c3)C2)n1 ZINC000049605445 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1csc([C@@H]2CCCN(C(=O)c3ccc(O)c(-c4cc(Cl)cc(Cl)c4)c3)C2)n1 ZINC000049605446 KJ Annotated Anodyne CN(C)CCCNC(=O)c1ccc(NCCCN(C)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2c(=O)c3ccccc3[nH]c12 ZINC000049605471 KJ Annotated Bother CN1CCC(N2CCN(CCOc3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3Br)CC2)CC1 ZINC000049605571 KJ Annotated Anodyne CCOC(=O)NC1=NC(C)(C)N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C(NC(=O)OCC)=N1 ZINC000049605646 KJ Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)COc4nc(SCc5ccc(F)cc5)nc5c4CCC5)CC3)c2c1 ZINC000049605788 KJ Annotated Anodyne COc1cc2[nH]c3c(C(=O)NCCN(C)C)ccc(NCCCN(C)CCCN4C(=O)c5cccc6cccc(c56)C4=O)c3c(=O)c2cc1OC ZINC000049614028 KJ Annotated Bother C/C1=C\[C@@H](OC(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@@](=O)SC(=O)[C@]2(C)O ZINC000049615011 KJ Annotated Reactive CN(C)CCCNC(=O)c1ccc(NCCCN(C)CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c2c(=O)c3ccccc3[nH]c12 ZINC000049615780 KJ Annotated Bother CCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000049616231 KJ Annotated Anodyne CCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000049616233 KJ Annotated Anodyne Cn1cccc1C(=O)NC[C@@H](CCNc1cc(=O)c2ccccc2[nH]1)NCc1cc(Br)cc(Br)c1 ZINC000049626640 KJ Annotated Anodyne Cn1cccc1C(=O)NC[C@H](CCNc1cc(=O)c2ccccc2[nH]1)NCc1cc(Br)cc(Br)c1 ZINC000049626643 KJ Annotated Anodyne CO[C@H]1C/C=C/[C@@H](C)C[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/[C@@H](OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O1 ZINC000049649351 KJ Annotated Anodyne CO[C@H]1C/C=C/[C@H](C)C[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/[C@@H](OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O1 ZINC000049649352 KJ Annotated Anodyne CO[C@@H]1/C=C(\C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@H](C)/C=C/C[C@@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000049649353 KJ Annotated Anodyne CO[C@@H]1/C=C(\C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)/C=C/C[C@@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000049649354 KJ Annotated Anodyne CNCC(=O)Oc1c(C)cc(C[n+]2cnn(C[C@](O)(c3ccc(F)cc3F)[C@@H](C)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1C ZINC000049650118 KJ Annotated Mild CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)[C@@H](c1ccc(F)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000049650164 KJ Annotated Anodyne CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)[C@H](c1ccc(F)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000049650165 KJ Annotated Anodyne Cn1c(COP(=O)(N(CCBr)CCBr)N(CCBr)CCBr)ccc1[N+](=O)[O-] ZINC000049672509 KJ Annotated Reactive C[C@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 ZINC000049677776 KJ Annotated Clean CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(Cl)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000049677904 KJ Annotated Anodyne O=C(N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000049678176 KJ Annotated Clean Cc1cc2cc(N/C(=N\C(=O)c3cccc(Cl)c3)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1 ZINC000049678269 KJ Annotated Mild Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCc5ccccc5N)nc(Nc5cccc(N)c5)n4)cc3)n2)c1 ZINC000049678336 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N1C(=O)CCCc1ccccc1 ZINC000049678446 KJ Annotated Anodyne COC(=O)c1ccc2c([N+](=O)[O-])cc3c(c2c1)[C@@H](CCl)CN3C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1 ZINC000049678725 KJ Annotated Reactive COC(=O)c1ccc2c([N+](=O)[O-])cc3c(c2c1)[C@H](CCl)CN3C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1 ZINC000049678728 KJ Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(S(C)(=O)=O)cc43)cc2c1 ZINC000049678843 KJ Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(S(C)(=O)=O)cc43)cc2c1 ZINC000049678846 KJ Annotated Reactive Cn1cc(C(=O)OC[C@H]2CN(Cc3ccccc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21 ZINC000049678975 KJ Annotated Anodyne O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)CO[C@@H](Oc2ccc(/C=N\O)cc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000049679820 KJ Annotated Mild Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCc5cccc(O)c5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1 ZINC000049679856 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000049680023 KJ Annotated Clean Nc1cccc(CCNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)c1 ZINC000049680116 KJ Annotated Anodyne C[C@@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 ZINC000049694383 KJ Annotated Clean COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(S(C)(=O)=O)ccc43)[nH]c2c(OC)c1OC ZINC000049694391 KJ Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(S(C)(=O)=O)ccc43)[nH]c2c(OC)c1OC ZINC000049694392 KJ Annotated Reactive COc1ccc2c(c1)OCCCCCCCC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049694396 KJ Annotated Anodyne Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3)nc(N3CCN[C@H](CCO)C3)nc2c1 ZINC000049694428 KJ Annotated Anodyne Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3)nc(N3CCN[C@@H](CCO)C3)nc2c1 ZINC000049694429 KJ Annotated Anodyne CC(C)(c1ccc(Cl)cc1)[C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O ZINC000049694624 KJ Annotated Clean CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@]2(OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)CO[C@@H]12 ZINC000049694654 KJ Annotated Anodyne CCCOc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)sc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1OCCC ZINC000049694810 KJ Annotated Reactive CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2nc(C)ccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000049695032 KJ Annotated Mild CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(S(C)(=O)=O)ccc43)cc2c1 ZINC000049695122 KJ Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(S(C)(=O)=O)ccc43)cc2c1 ZINC000049695123 KJ Annotated Reactive O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 ZINC000049695219 KJ Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2c1ccc(S(N)(=O)=O)cc1 ZINC000049695296 KJ Annotated Mild Nc1nc(=S)[nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2c1ccc(S(N)(=O)=O)cc1 ZINC000049695297 KJ Annotated Mild C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)[C@@H](O)c1cccc(Br)c1 ZINC000049695343 KJ Annotated Clean CC[C@]1(C)C[C@@H](OC(=O)NC(=O)c2ccc(OP(=O)(O)O)cc2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000049695351 KJ Annotated Anodyne COC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@@H]3CCl ZINC000049695538 KJ Annotated Reactive COC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@H]3CCl ZINC000049695539 KJ Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N[C@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049695565 KJ Annotated Anodyne CCCOc1c(C(=O)N/N=C(\C)c2nccs2)sc(C(=O)N/N=C(\C)c2nccs2)c1OCCC ZINC000049695588 KJ Annotated Reactive CC[C@]1(C)C[C@@H](OC(=O)NC(=O)c2ccc(O)cc2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1OP(=O)(O)O ZINC000049708362 KJ Annotated Anodyne CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)O)ccc1OCCCCNc1cc(C)ccn1 ZINC000049709069 KJ Annotated Anodyne N=C1C(=S)N(c2ccc(I)cc2)C(=S)N1c1ccc(I)cc1 ZINC000049709083 KJ Annotated Anodyne COc1ccc2c(c1)OCCC/C=C\CCC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049709597 KJ Annotated Anodyne COc1ccc2c(c1)OCCC/C=C/CCC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049709603 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)C)Nc1nc(cs1)CCCCc1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000049709787 KJ Annotated Mild COc1ccc2c(c1)OCCCCCCC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049710116 KJ Annotated Anodyne COc1ccc2c(c1)OCCCCCCC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049710441 KJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)c1cc(-c2ccccc2)cs1 ZINC000049710488 KJ Annotated Anodyne COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=N/N(C)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)oc12 ZINC000049710991 KJ Annotated Reactive Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000049711081 KJ Annotated Mild O=C(NN1C(=O)CS[C@H]1c1ccccc1Cl)c1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 ZINC000049711281 KJ Annotated Anodyne O=C(NN1C(=O)CS[C@H]1c1ccccc1Cl)c1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccccc2Cl)cc1 ZINC000049711283 KJ Annotated Anodyne O=C(NN1C(=O)CS[C@@H]1c1ccccc1Cl)c1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 ZINC000049711285 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(CC(C)C)[C@H](C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000049711287 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(CC(C)C)[C@@H](C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000049711289 KJ Annotated Anodyne N#Cc1ccc(-c2ccc(C(=O)NCCCCN3CCC(c4ccc5c(c4OCC(N)=O)CCCC5)CC3)nc2)cc1 ZINC000049722602 KJ Annotated Mild Cc1cc(O)ccc1CN1C[C@@H](COC(=O)c2cn(C)c3ccccc23)NC(=O)c2nn(CCc3ccccc3)cc21 ZINC000049722622 KJ Annotated Anodyne Cc1cc(O)ccc1CN1C[C@H](COC(=O)c2cn(C)c3ccccc23)NC(=O)c2nn(CCc3ccccc3)cc21 ZINC000049722659 KJ Annotated Anodyne COc1ccc2c(c1)OCCCCCCCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049722748 KJ Annotated Anodyne O=C(Nc1ccccc1)[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1[C@H](CO)C=C[C@@H](NCc2ccccc2)[C@H]1O ZINC000049722883 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000049722965 KJ Annotated Clean COC(=O)c1cn(CCN([C@@]2(C(=O)O)C[C@@H]2c2ccccc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000049723098 KJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(S(C)(=O)=O)cc43)[nH]c2c(OC)c1OC ZINC000049723138 KJ Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(S(C)(=O)=O)cc43)[nH]c2c(OC)c1OC ZINC000049723139 KJ Annotated Reactive C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)Nc1nc(cs1)CCCCc1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000049723140 KJ Annotated Mild c1cc2[nH]c(CCCc3nc4cc(C5=N[C@H]6CCCC[C@H]6N5)ccc4[nH]3)nc2cc1C1=N[C@@H]2CCCC[C@@H]2N1 ZINC000049723158 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)C)Nc1nc(cs1)CCCCCc1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000049723168 KJ Annotated Mild CC(=O)NCCCC[C@H]1N[C@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000049723187 KJ Annotated Anodyne CC(=O)NCCCC[C@@H]1N[C@]2(C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000049723188 KJ Annotated Anodyne O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000049723323 KJ Annotated Clean COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(OC)c(OC)c3OC)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000049723341 KJ Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(OC)c(OC)c3OC)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000049723342 KJ Annotated Reactive O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000049723371 KJ Annotated Clean CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)[C@H](CO)O[C@@H]1OP(=O)(O)O ZINC000049733677 KJ Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000049733679 KJ Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@@H](OP(=O)(O)O)O[C@@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000049733681 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000049734078 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000049734080 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000049734082 KJ Annotated Mild CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000049734084 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C(=O)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049734089 KJ Annotated Anodyne CC1(C)CC[C@@H](c2c(F)cccc2F)N(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)C(=O)Nc3ncccc32)C1=O ZINC000049745284 KJ Annotated Anodyne CC(C)C(=O)O/N=C1/N/C(=N\OC(=O)C(C)C)N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C(C)(C)N1 ZINC000049745445 KJ Annotated Mild CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ccc(-c2cc(Cl)cc(F)c2-c2noc(C)n2)cc1F ZINC000049746287 KJ Annotated Reactive CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cc(Cl)ccc2F)C1 ZINC000049746305 KJ Annotated Anodyne CC(C)[C@@]12CC[C@]3(CO)CC[C@]4(C)C(=C13)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C)c(=O)n12 ZINC000049746388 KJ Annotated Anodyne CCCCCCCCCCCCNCC(=O)O[C@@H]1[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@@]23[C@H]2CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@]213 ZINC000049746549 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049748365 KJ Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cc(F)cc(Cl)c2)C1 ZINC000049756394 KJ Annotated Anodyne CCc1nc2c(I)c(I)c(I)c(I)c2[nH]1 ZINC000049756641 KJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)N(C)C)C1)O2 ZINC000049756731 KJ Annotated Mild Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 ZINC000049756799 KJ Annotated Anodyne COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCBr)c2)cc1 ZINC000049756929 KJ Annotated Reactive COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCBr)c2)cc1 ZINC000049756930 KJ Annotated Reactive Brc1nc2c(I)c(I)c(I)c(I)c2[nH]1 ZINC000049757100 KJ Annotated Anodyne CCN(NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ncc(C(=O)N2[C@@H](C)CC[C@H]2C)cc1F ZINC000049757199 KJ Annotated Reactive CCN(CC)CCOc1ccc(C[C@H]2COc3c(cccc3OC)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049757461 KJ Annotated Anodyne CO[P@](=O)(F)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1 ZINC000049757469 KJ Annotated Reactive CO[P@@](=O)(F)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1 ZINC000049757470 KJ Annotated Reactive NC(=O)Cc1c(C(=O)N2CCC(C(=O)O)(c3ccccn3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000049757503 KJ Annotated Anodyne Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 ZINC000049757507 KJ Annotated Mild CN(CC[N+](C)(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1)C(=O)CN(C)C(=O)CN(C)C(=O)CC[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000049760091 KJ Annotated Bother CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cccnc2)cnc2ccc(F)cc12 ZINC000049761773 KJ Annotated Reactive CC(=O)O[C@@H](CC1=CC(=O)OC1)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2ccccc2)[C@]1(C)O ZINC000049761923 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4nnc(-c5ccccc5)c(-c5ccccc5)n4)nn3)CC2)cc1 ZINC000049761928 KJ Annotated Anodyne CN1CCN([C@H](C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761933 KJ Annotated Anodyne CN1CCN([C@@H](C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761935 KJ Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@H](c2ccc(OC)cc2OC)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000049762128 KJ Annotated Mild O=C1[C@H](Cc2n[nH]c3cc(F)ccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 ZINC000049762185 KJ Annotated Anodyne O=C1[C@@H](Cc2n[nH]c3cc(F)ccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 ZINC000049762187 KJ Annotated Anodyne NC(=O)Cc1c(C(=O)N2CCC(O)(c3ccc(F)cn3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000049762217 KJ Annotated Anodyne Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCC3)CC2)c2ccc(Cl)cc21 ZINC000049762498 KJ Annotated Anodyne CC(C)C(=O)c1c(O)c(Cc2c(O)c(C(=O)C(C)C)c(O)c(C(=O)C(C)C)c2O)c(O)c(C(=O)C(C)C)c1O ZINC000049762769 KJ Annotated Anodyne CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5cn(CC)cn5)nc43)[C@H](O)[C@@H]2O)c1 ZINC000049762828 KJ Annotated Anodyne CCOC(=O)C1CCN(C(=O)[C@@H]2O[C@@]3(c4ccccc4)CN(C(c4ccccc4)c4ccccc4)C[C@@H]2O3)CC1 ZINC000049763115 KJ Annotated Anodyne CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2ccccn2)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000049763287 KJ Annotated Anodyne CCOC(=O)[C@]1(C(=O)CBr)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000049765566 KJ Annotated Reactive CCOC(=O)[C@]1(C(=O)CBr)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000049765567 KJ Annotated Reactive O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncc3ccccc3n2)CC1 ZINC000049766553 KJ Annotated Anodyne CC1(C)[C@H]2C[C@@H](O)[C@@H]3C[C@@](C)([C@@H](Br)COS(=O)(=O)O)CC=C3[C@]2(C)CC[C@H]1Br ZINC000049766640 KJ Annotated Reactive COc1cc(C(=O)Nc2nonc2NCc2ccc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)on1 ZINC000049766797 KJ Annotated Anodyne COc1ccc(COC[C@@H](C)[C@@H]2C[C@H](O)CCC[C@H](OC)C/C=C\C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000049767014 KJ Annotated Anodyne Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)NC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000049767077 KJ Annotated Anodyne Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)NCc3ccccc3)CC2)c2ccc(Cl)cc21 ZINC000049767268 KJ Annotated Anodyne Clc1nc2c(I)c(I)c(I)c(I)c2[nH]1 ZINC000049767909 KJ Annotated Anodyne CCN(C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1nccs1 ZINC000049767973 KJ Annotated Anodyne CCN(C[C@H](Cc1ccc(O)cc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1nccs1 ZINC000049767975 KJ Annotated Anodyne CCCC[C@@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049768132 KJ Annotated Anodyne CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049768134 KJ Annotated Anodyne CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C2)C[C@@H]1C ZINC000049771148 KJ Annotated Anodyne C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)[C@](C)(O)CO)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000049771227 KJ Annotated Mild C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)[C@@](C)(O)CO)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000049771228 KJ Annotated Mild in-vitro biogenic COc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@H](c2ccc(OC)cc2)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000049771598 KJ Annotated Mild COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000049771617 KJ Annotated Anodyne in-vitro biogenic CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(=O)C2CC2)c2cccc(Cl)c2)C1 ZINC000049771669 KJ Annotated Anodyne CC(C)CCNS(=O)(=O)c1cc(C(N)=O)cc2nc(NCc3ccccc3Cl)n(C[C@H]3CCCCC[C@H]3O)c12 ZINC000049774966 KJ Annotated Anodyne CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000049775279 KJ Annotated Mild CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000049775336 KJ Annotated Mild Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000049775644 KJ Annotated Mild Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCOCC4)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000049775647 KJ Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(=O)/C(C)=C/C)C[C@H](O)[C@](C)([C@H]4C[C@H](OC)O[C@H]5C[C@@H](C6=CCOC6=O)C(C)=C5[C@]14C)[C@@H]23 ZINC000049775773 KJ Annotated Anodyne COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)[C@]1(CCc2c1c(O)c1c(=O)[nH]c(/C=C/c4csc(C)n4)cc1c2Br)C3=O ZINC000049776335 KJ Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC000049776349 KJ Annotated Anodyne N#CC(C#N)=C1c2cc(S(=O)(=O)Oc3ccccc3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)Oc1ccccc1)cc2[N+](=O)[O-] ZINC000049776360 KJ Annotated Reactive CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)Cc1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049776386 KJ Annotated Anodyne Cc1ccncc1C(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000049776399 KJ Annotated Anodyne O=C(NCCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1 ZINC000049777149 KJ Annotated Reactive O=C1N[C@@H]2[C@H](CCCC/C(O)=N/S(=O)(=O)c3cccc(CNC(=O)C45CC6C[C@@H](C4)C4(OOC7(CCCCC7)O4)[C@H](C6)C5)c3)SC[C@@H]2N1 ZINC000049777264 KJ Annotated Reactive C[C@@H]1C[C@H]2O[C@@]3(C[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46C[C@@H](OC(=O)O)[C@]2(C)[C@@H]13 ZINC000049777273 KJ Annotated Anodyne C=C1[C@H]([C@@H](C)[C@H]2CC=C(C)C(=O)O2)CC[C@@]2(C)[C@@H]3C[C@@H](OC(C)=O)[C@@H]4C(=C[C@@]3(O)C[C@@H]12)C=CC(=O)OC4(C)C ZINC000049777698 KJ Annotated Mild O=C1NCc2cccc(c2)CNC(=O)c2coc(n2)-c2csc(n2)-c2cccc(n2)-c2nc(cs2)-c2nc1co2 ZINC000049777829 KJ Annotated Anodyne CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000049777938 KJ Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049778080 KJ Annotated Mild C=C1[C@@H](O)C[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049778082 KJ Annotated Mild CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1cccc(O)c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049778151 KJ Annotated Anodyne C/C=C/C=C/c1cc2c(Br)c3c(c(O)c2c(=O)[nH]1)[C@@]1(CC3)C(=O)C2=C(C(=O)c3c(O)c(NCCCC)cc(O)c3C2=O)C1=O ZINC000049778160 KJ Annotated Mild COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(OC)c(C)c(OC)c(O)c4[C@H](CNC(=O)c4cc5ccccc5o4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000049778202 KJ Annotated Mild C/C=C/C=C/c1cc2c(Br)c3c(c(O)c2c(=O)[nH]1)[C@@]1(CC3)C(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)C(OCC)=CC3=O ZINC000049778236 KJ Annotated Mild CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049778295 KJ Annotated Bother CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049778380 KJ Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccc1O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049780044 KJ Annotated Anodyne CO[C@@H]1O[C@H]2O[C@H](C3=C[C@@H](OC(C)=O)[C@H]4C(C)(C)CCC[C@]4(C)[C@@]3(O)C=O)O[C@@]23C1=C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]13C ZINC000049780066 KJ Annotated Mild CO[C@H]1O[C@H]2O[C@H](C3=C[C@@H](OC(C)=O)[C@H]4C(C)(C)CCC[C@]4(C)[C@@]3(O)C=O)O[C@@]23C1=C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]13C ZINC000049780067 KJ Annotated Mild CC(C)CN(c1nc(C(=O)NNC(=O)[C@H](CC2CC2)NC(=O)c2cc3cc(OCCN4CCCCC4)ccc3o2)cs1)C1CC1 ZINC000049780237 KJ Annotated Reactive CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(O)cc2O)NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N1 ZINC000049780277 KJ Annotated Clean CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(O)cc2O)NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N1 ZINC000049780278 KJ Annotated Clean C=c1cccc/c1=C(\C=C\C(=O)OCCCN(C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1ccccc1C ZINC000049780347 KJ 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]1OC(C)=O ZINC000049780379 KJ Annotated Reactive NS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000049780535 KJ Annotated Mild COc1cc(/C=C/C(=O)OCCCN(C)CCCOC(=O)CCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc(OC)c1OC ZINC000049780558 KJ Annotated Anodyne COc1cc(/C=C/C(=O)OCCCN(C)CCCOC(=O)CCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc(OC)c1OC ZINC000049780559 KJ Annotated Anodyne O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2Cc2ccc(/C=C/CN3CCC(C(F)(F)F)CC3)cc2C1 ZINC000049780562 KJ 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](OC(C)=O)[C@@H]2[C@H](C)C(=O)CC[C@@H](C)CO)C1 ZINC000049780621 KJ Annotated Anodyne COc1cc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1scnc1C ZINC000049780813 KJ Annotated Anodyne Cc1cc2c(c3oc(=O)cc(O)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000049782044 KJ Annotated Anodyne C=CCCCCCC(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C)C(C)C ZINC000049784244 KJ Annotated Mild O=C1NCc2cc(Br)cc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cccc(n2)-c2nc(co2)-c2nc1co2 ZINC000049784282 KJ Annotated Anodyne CC(=O)Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C)oc6cc45)c3cc2o1 ZINC000049784531 KJ Annotated Bother COc1cc2oc3c(S(=O)(=O)NCc4ccc5ccccc5c4)c(OC)cc(OC)c3c(=O)c2cc1OC ZINC000049784774 KJ Annotated Bother C=CCCCCCC(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OC)C(C)C)C(C)C)C(C)C ZINC000049785039 KJ Annotated Mild Cc1c(S(=O)(=O)N2C[C@H](C(=O)N(C)C3CCN(C)CC3)c3ccccc32)sc2ccc(Cl)cc12 ZINC000049785597 KJ Annotated Anodyne Cc1c(S(=O)(=O)N2C[C@@H](C(=O)N(C)C3CCN(C)CC3)c3ccccc32)sc2ccc(Cl)cc12 ZINC000049785598 KJ Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)[C@]3(C)O[C@]3([C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1C ZINC000049786043 KJ Annotated Mild CO[C@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C3(C)C ZINC000049792034 KJ Annotated Anodyne CO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C3(C)C ZINC000049792035 KJ Annotated Anodyne CO[C@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(C)C ZINC000049792064 KJ Annotated Anodyne CO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(C)C ZINC000049792065 KJ Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@]2(C=O)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]3(C)[C@H]12 ZINC000049792087 KJ Annotated Anodyne CO[C@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000049792257 KJ Annotated Anodyne CC(C)S(=O)(=O)c1cc(C(N)=O)cc2nc(NCc3ccccc3Cl)n(C[C@H]3CCCCC[C@H]3O)c12 ZINC000049793166 KJ Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H](n2cc(-c3ccc(Br)cc3)nn2)[C@H]1Br ZINC000049793455 KJ Annotated Reactive CC1=CS/C(=C(\C#N)C(=O)N2NC(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)N1c1ccccc1 ZINC000049793483 KJ Annotated Reactive CC1=CS/C(=C(\C#N)C(=O)N2NC(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)N1c1ccccc1 ZINC000049793484 KJ Annotated Reactive CC1=CS/C(=C(\C#N)C(=O)N2NC(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)N1c1ccccc1 ZINC000049793485 KJ Annotated Reactive CC1=CS/C(=C(\C#N)C(=O)N2NC(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)N1c1ccccc1 ZINC000049793486 KJ Annotated Reactive C=C1[C@@H](O)C[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049793558 KJ Annotated Mild CC(=O)c1sc(Nc2ccccc2)c(C(=O)N2NC(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1N ZINC000049793751 KJ Annotated Anodyne CC(=O)c1sc(Nc2ccccc2)c(C(=O)N2NC(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1N ZINC000049793752 KJ Annotated Anodyne CC(=O)c1sc(Nc2ccccc2)c(C(=O)N2NC(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1N ZINC000049793753 KJ Annotated Anodyne CC(=O)c1sc(Nc2ccccc2)c(C(=O)N2NC(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1N ZINC000049793754 KJ Annotated Anodyne C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000049794026 KJ Annotated Anodyne C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000049794027 KJ Annotated Anodyne C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](OC)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000049794079 KJ Annotated Anodyne C[C@H]1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c2O)O1 ZINC000049802244 KJ Annotated Anodyne in-vitro C[C@@H]1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c2O)O1 ZINC000049802245 KJ Annotated Anodyne in-vitro COCCN(CCOC)C(=O)c1cc2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)CC5(C)C)cc4C(=O)N(CCOC)CCOC)CC3(C)C ZINC000049802600 KJ Annotated Bother CCCCCCCCCCCCCCCCOCCO[PH]1(O)CO[C@@H](Cn2c(N)ncnc2=O)CO1 ZINC000049802617 KJ Annotated Mild COc1ccccc1C(=O)Nc1nc(-c2ccccc2O)cc(-c2cccc(C(=O)NC(C)(C)CN)c2)c1C#N ZINC000049802774 KJ Annotated Mild O=C1NCc2cccc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cc(Br)cc(n2)-c2nc(co2)-c2nc1co2 ZINC000049803146 KJ Annotated Anodyne COC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OC)C1[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000049803545 KJ Annotated Anodyne N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000049803634 KJ Annotated Mild CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(Cl)cccc3C(F)(F)F)CCN4)cn2)CC1 ZINC000049803722 KJ Annotated Anodyne N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1cccs1 ZINC000049803767 KJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000049803788 KJ Annotated Mild C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](C)C1 ZINC000049803792 KJ Annotated Anodyne in-vitro C=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)[C@@H]1O ZINC000049803920 KJ Annotated Mild in-vitro CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049807398 KJ Annotated Anodyne CO[C@]1(C[C@@H]2C(=O)N[C@@H](c3ccc(O)cc3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)Nc2ccccc21 ZINC000049807537 KJ Annotated Anodyne in-vitro CO[C@@]1(C[C@@H]2C(=O)N[C@@H](c3ccc(O)cc3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)Nc2ccccc21 ZINC000049807539 KJ Annotated Anodyne in-vitro O=C1CNc2ncc(-c3ccc(C(=O)N4CCC[C@H]4CN4CCCC4)cc3)cc2N1Cc1cc(F)ccc1F ZINC000049807904 KJ Annotated Anodyne C=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)[C@H]1O ZINC000049808111 KJ Annotated Mild in-vitro O=C(NN1C(=O)CN(C2CCCCC2)C1=S)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000049808140 KJ Annotated Anodyne CCC1=CC(=O)C2=CC(=O)O[C@@H](O[C@@H]3O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12 ZINC000049808346 KJ Annotated Mild N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000049808382 KJ Annotated Mild COC(=O)C1=C(C)N(c2ccc(F)cc2)C(C)=C(C(=O)OC)C1[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000049808414 KJ Annotated Anodyne O=[N+]([O-])c1ccc(COP(=O)(N(CCBr)CCBr)N(CCBr)CCBr)o1 ZINC000049816812 KJ Annotated Reactive CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049817359 KJ Annotated Anodyne CO[C@H]1[C@@H](OC(=O)OCc2ccccc2)[C@@H](O)[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 ZINC000049817435 KJ Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000049823261 KJ Annotated Anodyne CC(=O)O[C@H]1C=C2[C@H]([C@H](O)C[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](O)CCC(C)C)[C@@]2(C)CC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]12 ZINC000049823344 KJ Annotated Anodyne O=C(Nc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H](N3CCC3)CN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)cc1)c1c(Cl)cncc1Cl ZINC000049832941 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049832964 KJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)CC1=C[C@@H]3O)C(C)C ZINC000049833091 KJ Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CN)[C@H](OC(=O)CN)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049833101 KJ Annotated Mild CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NCc1ccccc1 ZINC000049833290 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000049833381 KJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C/C=C/C(C)(C)O)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3 ZINC000049833390 KJ Annotated Anodyne in-vitro Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1 ZINC000049833458 KJ Annotated Bother COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000049833508 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(\C)[C@H]1[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1/C=C/C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049841078 KJ Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](O)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000049841101 KJ Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)CC(=C)[C@H]1[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1/C=C/C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049841159 KJ Annotated Mild CC(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC(=O)O[C@H]4C[C@@H](c5ccoc5)C(C)=C4[C@]3(C)[C@H](OC(=O)c3ccccc3)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000049841275 KJ Annotated Anodyne C=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)C1=O ZINC000049841391 KJ Annotated Mild in-vitro COc1ccc(OC)c([C@@H]2O[C@H](CNC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1 ZINC000049841501 KJ Annotated Anodyne CC[C@@H](C)C(=O)O[C@]1(c2ccc3c(c2O)C(=O)c2c(cc(O)c(C(=O)OC)c2C)C3=O)c2cccc(O)c2C(=O)c2c1cc(O)c(C(=O)OC)c2C ZINC000049844728 KJ Annotated Clean in-vitro CC[C@H](C)C(=O)O[C@]1(c2ccc3c(c2O)C(=O)c2c(cc(O)c(C(=O)OC)c2C)C3=O)c2cccc(O)c2C(=O)c2c1cc(O)c(C(=O)OC)c2C ZINC000049844729 KJ Annotated Clean in-vitro CC[C@@H](C)C(=O)O[C@@]1(c2ccc3c(c2O)C(=O)c2c(cc(O)c(C(=O)OC)c2C)C3=O)c2cccc(O)c2C(=O)c2c1cc(O)c(C(=O)OC)c2C ZINC000049844730 KJ Annotated Clean in-vitro CC[C@H](C)C(=O)O[C@@]1(c2ccc3c(c2O)C(=O)c2c(cc(O)c(C(=O)OC)c2C)C3=O)c2cccc(O)c2C(=O)c2c1cc(O)c(C(=O)OC)c2C ZINC000049844731 KJ Annotated Clean in-vitro C=C(CC[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000049844752 KJ Annotated Mild CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049844786 KJ Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2n2c(CSc3nnc(-c4ccncc4)o3)nc3ccc(Br)cc3c2=O)cc1 ZINC000049844810 KJ Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2n2c(CSc3nnc(-c4ccncc4)o3)nc3ccc(Br)cc3c2=O)cc1 ZINC000049844811 KJ Annotated Anodyne CC(=O)O[C@H]1C=C2[C@H]([C@H](OC(C)=O)C[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](O)CCC(C)C)[C@@]2(C)CC[C@H](O)[C@H](OC(C)=O)[C@H]12 ZINC000049844841 KJ Annotated Anodyne COc1ccc([C@@H]2[C@H](Cl)C(=O)N2n2c(CSc3nnc(-c4ccncc4)o3)nc3ccc(Br)cc3c2=O)cc1 ZINC000049850503 KJ Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2n2c(CSc3nnc(-c4ccncc4)o3)nc3ccc(Br)cc3c2=O)cc1 ZINC000049850505 KJ Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2n2c(CSc3nnc(-c4ccncc4)o3)nc3ccc(Br)cc3c2=O)cc1 ZINC000049850507 KJ Annotated Reactive COc1ccc([C@H]2[C@@H](Cl)C(=O)N2n2c(CSc3nnc(-c4ccncc4)o3)nc3ccc(Br)cc3c2=O)cc1 ZINC000049850510 KJ Annotated Reactive COCC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(=O)COC)[C@@H](OC(=O)COC)C(C)(C)O)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049850656 KJ Annotated Anodyne COc1ccc(C[C@H](N)C(=O)NCCc2cc(Br)c(OCCCN(C)C)c(Br)c2)cc1Br ZINC000049850747 KJ Annotated Anodyne CN[C@@H](Cc1ccc(OC)c(Br)c1)C(=O)NCCc1cc(Br)c(OCCCN(C)C)c(Br)c1 ZINC000049850771 KJ Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)[C@@]3(C)O[C@@]3([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000049852126 KJ Annotated Mild CC(C)(C)OC[C@H]1O[C@@H](O[C@@H]2OC(=O)C=C3C(=O)C=C(COC(=O)C(C)(C)C)[C@H]32)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000049853522 KJ Annotated Mild CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 ZINC000049867092 KJ Annotated Mild C/C(=N\NC(N)=O)c1ccc(NC(=O)Nc2nc(C)c(C(=O)NCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000049867134 KJ Annotated Reactive Cc1cccc(NC(=O)NCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)N(C)Cc4ccccc4)O3)nn2)c1 ZINC000049867256 KJ Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(OCc3ccccc3)s1)n2CCC(N)=O ZINC000049867314 KJ Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN3CCC(c4ccccc4)CC3)nn2)O1 ZINC000049867353 KJ Annotated Mild CCOCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000049867643 KJ Annotated Clean 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](OC(C)=O)[C@H]2O)C1 ZINC000049867674 KJ Annotated Mild COc1ccc(OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)N(C)Cc4ccccc4)O3)nn2)cc1 ZINC000049867800 KJ Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(Oc3ccccc3)s1)n2CCC(N)=O ZINC000049872053 KJ Annotated Anodyne C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOC(=O)OCc3ccccc3)nn2)O1 ZINC000049872066 KJ Annotated Mild CO[C@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000049872101 KJ Annotated Anodyne CO[C@]1(O)C(=O)c2ccccc2O[C@@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000049872102 KJ Annotated Anodyne Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000049872134 KJ Annotated Bother C=CC[C@@]12C[C@@H](C(=O)OC)N3[C@@H]1N(C(=N)[C@]3(Cc1ccccc1)N1CCCC1)c1ccc(Br)cc12 ZINC000049872180 KJ Annotated Mild CCCCCCCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000049872212 KJ Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccnc1Cl)c1ccc(Br)cc1 ZINC000049872215 KJ Annotated Anodyne CC[C@@H](C)CCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000049872247 KJ Annotated Anodyne CC[C@H](C)CCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000049872248 KJ Annotated Anodyne C=C[C@@](C)(CCC1=C(C)[C@H](OO)C[C@H]2C(C)(C)CCC[C@]12C)O[C@@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](O)[C@H]1O ZINC000049872322 KJ Annotated Reactive O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-c3ccn[nH]3)cc(C(F)(F)F)c2)CC1 ZINC000049872385 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2/C=C(\C)[C@H](OC(=O)c3ccccc3)C[C@@H](OC(C)=O)C(C)(C)C/C=C(\C)C(=O)[C@@]2(O)C[C@H]1C ZINC000049872434 KJ Annotated Mild COC(=O)CNC(=O)CCC/C=C\NC(=O)/C=C(C)/C=C/[C@H](C)[C@H](OC)[C@H](C)[C@H](/C=C/c1ccccc1)OC ZINC000049872448 KJ Annotated Anodyne CC(C)=CCN1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N4C=CC(C)(C)c5[nH]c6ccccc6c5C=C4C(=O)N3[C@H]12 ZINC000049872472 KJ 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]1OC(C)=O ZINC000049872516 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCOC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)C2=O ZINC000049877453 KJ Annotated Bother Cc1cccc2c1C(=O)N(CCOC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)C2=O ZINC000049877578 KJ Annotated Bother N#Cc1ccc(COC[C@H](OCc2ccc(C#N)cc2)[C@H](O)[C@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 ZINC000049877629 KJ Annotated Anodyne O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-n3cccn3)cc(C(F)(F)F)c2)CC1 ZINC000049877715 KJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCOC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000049877925 KJ Annotated Bother CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)C[C@](O)(C(=O)O)C(C)(C)[C@@H]4C(=O)C[C@]23C)O1 ZINC000049877988 KJ Annotated Anodyne Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(N(C)C(=O)c5ccccc5)ccc4n3CC(C)(C)O)s2)o1 ZINC000049881392 KJ Annotated Anodyne O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2Cc2cc(-c3cn(-c4ccc(Cl)cc4)cn3)ccc2C1 ZINC000049881571 KJ Annotated Anodyne CC(/C=C/[C@H](O)C(C)(C)O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O ZINC000049881624 KJ Annotated Mild CC(/C=C/[C@@H](O)C(C)(C)O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O ZINC000049881625 KJ Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@](C)([C@H]4CC(=O)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000049881650 KJ Annotated Anodyne O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccc(Br)cc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 ZINC000049881737 KJ Annotated Bother O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccc(Br)cc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 ZINC000049881738 KJ Annotated Bother CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCN3CC3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049882023 KJ Annotated Anodyne CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccn1 ZINC000049888681 KJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@@]4(C)[C@H]5[C@H](C[C@]4(C)C3=CC[C@H]2[C@]1(C)C(=O)O)OC(=O)[C@@H]5CC(=O)C=C(C)C ZINC000049888802 KJ Annotated Anodyne CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000049888892 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000049888924 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3OC(C(=O)C(C)C)=C[C@@H](C)[C@@H]3[C@@]12C ZINC000049888974 KJ Annotated Anodyne O=C(O[C@H]1[C@H](C2=CC(=O)c3ccccc3C2=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000049889024 KJ Annotated Mild COc1cc(/C=C/C(=O)OC/C(C)=C\Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)ccc1O ZINC000049889099 KJ Annotated Mild COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(ccc([C@]3(OC(=O)C(C)C)c4cccc(O)c4C(=O)c4c3cc(O)c(C(=O)OC)c4C)c1O)C2=O ZINC000049889227 KJ Annotated Clean in-vitro COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(ccc([C@@]3(OC(=O)C(C)C)c4cccc(O)c4C(=O)c4c3cc(O)c(C(=O)OC)c4C)c1O)C2=O ZINC000049889228 KJ Annotated Clean in-vitro CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3cccc(N)c3)s1)n2CCC(N)=O ZINC000049889240 KJ Annotated Anodyne C=C1[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@]123)C4(C)C ZINC000049889355 KJ Annotated Mild CCN(CC)c1ccc2cc(NC(=O)OCCCCCCCCCCCC(=O)[C@]34O[C@H]3[C@@](C)(O)NC4=O)c(=O)oc2c1 ZINC000049889381 KJ Annotated Anodyne CCN(CC)c1ccc2cc(NC(=O)OCCCCCCCCCCCC(=O)[C@]34O[C@H]3[C@](C)(O)NC4=O)c(=O)oc2c1 ZINC000049889382 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H]([C@@H]4C[C@]56[C@H]3C[C@@H]3O[C@]7(C[C@H](C)C(C)(C)O7)[C@](C)(O[C@H]5O4)[C@@H]36)[C@@]2(C)C[C@H]1OC(C)=O ZINC000049889424 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)CC[C@](C)([C@H](C)C(C)C)[C@@H](C(=O)O)[C@]1(C)CC3 ZINC000049889450 KJ Annotated Anodyne CC[C@H](O)[C@]1(CC)C[C@@H](C)[C@](O)([C@]2(C)C[C@H](C)[C@@H]([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H]3O[C@@H](CC(=O)OO)[C@H](C)C[C@@H]3C)O2)O1 ZINC000049889468 KJ Annotated Reactive O=C(Nc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](N3CCC3)CN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)cc1)c1c(Cl)cncc1Cl ZINC000049889502 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](n2c(SCc3cc4cc(Br)ccc4oc3=O)nc3ccccc32)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000049898185 KJ Annotated Anodyne C=C(CC[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049898277 KJ Annotated Mild C=C(C)[C@H]1O[C@]23C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@H]2[C@H](C)C[C@H]1O3 ZINC000049898606 KJ Annotated Mild CC(=O)OC(C)(C)[C@H]1O[C@]23C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@H]2[C@H](C)C[C@H]1O3 ZINC000049898639 KJ Annotated Anodyne CC(=O)O[C@@H]1[C@H]2O[C@@]3(C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3/C=C(\C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C1(C)C)[C@@H](OC(C)=O)[C@H]2C ZINC000049898684 KJ Annotated Anodyne C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@]5(CCCCCCC[C@H](C)[C@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000049898738 KJ Annotated Mild COc1c(C)c(OC(C)=O)c(C(C)=O)c(OC(C)=O)c1Cc1c(OC(C)=O)c2c(c(C(=O)C(C)C)c1OC(C)=O)OC(C)(C)[C@H](OC(C)=O)C2 ZINC000049898816 KJ Annotated Anodyne COc1c(C)c(OC(C)=O)c(C(C)=O)c(OC(C)=O)c1Cc1c(OC(C)=O)c2c(c(C(=O)C(C)C)c1OC(C)=O)OC(C)(C)[C@@H](OC(C)=O)C2 ZINC000049898817 KJ Annotated Anodyne CCCC[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CCCC)C(=O)O[C@H](C(C)C)C(=O)N1C ZINC000049898821 KJ Annotated Anodyne CCCC[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@H](C)CC)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CCCC)C(=O)O[C@H](C(C)C)C(=O)N1C ZINC000049898822 KJ Annotated Anodyne CC1=C[C@@H]2CC[C@@H](O)[C@H](C)[C@@H]2[C@@H](C(=O)C2=C(O)[C@@H](O)NC2=O)[C@@H]1C[C@H]1O[C@@]2(CC[C@H](C)[C@@H](c3cc(O)cc(O)c3)O2)[C@@H](C)C[C@@H]1C ZINC000049898902 KJ Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1C1=CCC(=O)N4c5ccccc5[C@@]3(C[C@@H]2[C@@H]2C(=O)N3c5ccccc5[C@@]56CCN7CC8=CCO[C@@H]2[C@@H]([C@H]35)[C@H]8C[C@H]76)[C@H]14 ZINC000049899412 KJ Annotated Anodyne C=C(C)[C@H](Cc1c(OC(C)=O)c(Cc2c(OC)c(C)c(OC(C)=O)c(C(C)=O)c2OC(C)=O)c(OC(C)=O)c(C(C)=O)c1OC(C)=O)OC(C)=O ZINC000049899558 KJ Annotated Mild COc1cc2c(cc1OCCCCN1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3C[C@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@H](F)CN1C2=O ZINC000049899591 KJ Annotated Anodyne COc1cc2c(cc1OCCCCN1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@H](F)CN1C2=O ZINC000049899592 KJ Annotated Anodyne COc1cc2c(cc1OCCCCN1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3C[C@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000049899593 KJ 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](OC(C)=O)[C@H]2[C@](C)(C=O)[C@H](O)C[C@H](OC(=O)c3ccccc3)[C@]12C ZINC000049899611 KJ Annotated Mild COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)n(CCCCCCBr)c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1 ZINC000049902698 KJ Annotated Clean COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)n(CCCCCCBr)c2=O)C[C@H]1N=[N+]=[N-])Oc1ccccc1 ZINC000049902701 KJ Annotated Clean COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)n(CCCCCCBr)c2=O)C[C@H]1N=[N+]=[N-])Oc1ccccc1 ZINC000049902704 KJ Annotated Clean COc1cc2c(c(OC)c1OC)C[N+](C)(CCC(=O)OCCCCCCOC(=O)CC[N+]1(C)CCc3cc(OC)c(OC)c(OC)c3C1)CC2 ZINC000049916552 KJ Annotated Bother C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)[P@](C)(=O)O ZINC000049917640 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)[P@](C)(=O)O ZINC000049917641 KJ Annotated Anodyne C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)[P@](C)(=O)O ZINC000049917642 KJ Annotated Anodyne Cc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n4C)n2)cc1S(N)(=O)=O ZINC000049917676 KJ Annotated Anodyne CCC[C@@H](C(=O)NCCc1cccc(OC)c1)N1C(=O)c2c(ccc(OC)c2OC)[C@H]1C(=O)Nc1c(C)cccc1C ZINC000049917831 KJ Annotated Anodyne CCC[C@@H](C(=O)NCCc1cccc(OC)c1)N1C(=O)c2c(ccc(OC)c2OC)[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000049917832 KJ Annotated Anodyne Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(CNCCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)[C@@H](C)CN(C)C ZINC000049917909 KJ Annotated Anodyne Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(CNCCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)[C@H](C)CN(C)C ZINC000049917910 KJ Annotated Anodyne COc1ccc(CN(C)C[C@H](O)COc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc2)cc1OC ZINC000049918002 KJ Annotated Bother COc1ccc(CN(C)C[C@@H](O)COc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc2)cc1OC ZINC000049918003 KJ Annotated Bother CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccccn3)c2)CC1 ZINC000049918289 KJ Annotated Anodyne N#C/C(=C\c1ccccc1)C(=O)N1Cc2c(cc(I)c(OCCCCl)c2I)C[C@H]1C(=O)O ZINC000049925378 KJ Annotated Reactive O=[N+]([O-])c1cccc(CN(CCNCCCO)Cc2cccc(CN(Cc3cccc([N+](=O)[O-])c3)Cc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000049925443 KJ Annotated Bother C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C=C[C@H]1C ZINC000049933140 KJ Annotated Anodyne CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049937609 KJ Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049937627 KJ Annotated Anodyne Cc1ncccc1C(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000049938077 KJ Annotated Anodyne CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)NC[C@H]1C ZINC000049938108 KJ Annotated Anodyne COc1cc(C(=O)N[C@@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)C(c2ccccc2)c2ccccc2)ccc1O ZINC000049938165 KJ Annotated Anodyne CC(C)(C)c1cc(NC(=O)CN)c(SCCN)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CN)c3SCCN)c2)c1 ZINC000049938248 KJ Annotated Anodyne CC(=O)Oc1ccccc1CCC(=O)OCOP(=O)(OCOC(=O)CCc1ccccc1OC(C)=O)Oc1ccc(O)c(C=O)c1 ZINC000049938382 KJ Annotated Anodyne CCCCCCCCNC(=O)OC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000049938514 KJ Annotated Mild CCCCCCCCNC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000049938515 KJ Annotated Mild CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1)n1cc([C@@](C)(NC(=O)c2ccccc2)C(C)C)nn1 ZINC000049942344 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H]([C@H]4COC(=O)C4)[C@@]31C)[C@H](OC(=O)/C=C(\C)C(C)C)[C@@H]1OC[C@]3(C)[C@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H]13 ZINC000049942519 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@@]31C)[C@H](OC(=O)/C=C(\C)C(C)C)[C@@H]1OC[C@]3(C)[C@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H]13 ZINC000049942520 KJ Annotated Anodyne COc1ccc(C(=O)O[C@H]2[C@H](O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@H](C)C(=O)CCC(C)C)OC[C@@H](O)[C@@H]2O)cc1 ZINC000049942612 KJ Annotated Anodyne Cc1c(O)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049946895 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@@H]3[C@]4(CO4)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)[C@@H]2C ZINC000049946977 KJ Annotated Anodyne C[C@H](CC[C@](C)(O)C(C)(C)C)[C@@H]1CC[C@]23C(=O)O[C@]4(CC[C@]12C)C3=CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]14C ZINC000049949616 KJ Annotated Anodyne C[C@H](CC[C@@](C)(O)C(C)(C)C)[C@@H]1CC[C@]23C(=O)O[C@]4(CC[C@]12C)C3=CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]14C ZINC000049949617 KJ Annotated Anodyne C[C@H](CC[C@](C)(O)C(C)(C)C)[C@H]1CC[C@]23C(=O)O[C@]4(CC[C@]12C)C3=CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]14C ZINC000049949618 KJ Annotated Anodyne C[C@H](CC[C@@](C)(O)C(C)(C)C)[C@H]1CC[C@]23C(=O)O[C@]4(CC[C@]12C)C3=CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]14C ZINC000049949619 KJ Annotated Anodyne CO[C@@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](OC)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000049949702 KJ Annotated Anodyne O=C(CCc1ccc(S(=O)(=O)N2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1)NCCCCNc1ccc([N+](=O)[O-])c2nonc12 ZINC000049952405 KJ Annotated Reactive CO[C@@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000049952413 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000000755818 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CC(C)C)C(=O)N2 ZINC000000755892 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](CC(C)C)C(=O)N2 ZINC000000755954 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](CC(C)C)C(=O)N2 ZINC000000755955 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](CC(C)C)C(=O)N2 ZINC000000755956 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](CC(C)C)C(=O)N2 ZINC000000755957 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000000755973 KJ Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](C(C)C)C(=O)N2 ZINC000000755978 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000000756029 KJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](CC(C)C)C(=O)N2 ZINC000000756052 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000000756133 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NCCc2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000000758233 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NCCc2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000000758234 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000000758247 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000000758248 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000000758253 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000000758254 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000758300 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000758301 KJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758354 KJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758355 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758356 KJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758357 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000758360 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000758361 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000758362 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000758363 KJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000000758382 KJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000000758383 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000758384 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000758385 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000758386 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000758387 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000000758388 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000000758389 KJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000758396 KJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000758397 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000758398 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000758399 KJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000000758416 KJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000000758417 KJ Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758461 KJ Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758462 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758586 KJ Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758587 KJ Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758677 KJ Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758678 KJ Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758679 KJ Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758680 KJ Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758683 KJ Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758684 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760103 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760104 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760105 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760106 KJ Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760117 KJ Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760118 KJ Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760293 KJ Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760294 KJ Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760295 KJ Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760296 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000000760297 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000000760298 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000000760299 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000000760300 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000760394 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000760395 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000760396 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000760397 KJ Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000000760599 KJ Annotated Mild CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760662 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760663 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760664 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760665 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000760680 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000760732 KJ Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763029 KJ Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763030 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763031 KJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763032 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763229 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763230 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763231 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763232 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763233 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763234 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763235 KJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763236 KJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763243 KJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763244 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763245 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763246 KJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000763247 KJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000763248 KJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763251 KJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763252 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763265 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763266 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763269 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763270 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763273 KJ Annotated Anodyne O=C1CCCN1CCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763274 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763291 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763292 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763327 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763328 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763329 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763330 KJ Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763331 KJ Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763332 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000000763341 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000000763342 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000000763345 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000000763346 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000000764917 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000000764918 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000000764919 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000000764920 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000764957 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000764959 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764995 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764996 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764997 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764998 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000000765312 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000000765313 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000000765314 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000000765315 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000000765316 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000000765317 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000000765318 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000000765319 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000765436 KJ Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000765437 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000765522 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000765523 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000765524 KJ Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000765525 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000000766990 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000000766991 KJ Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000000767014 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000000767015 KJ Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000000767098 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000767165 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000000767284 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000000767286 KJ Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767356 KJ Annotated Bother O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767358 KJ Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767360 KJ Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767362 KJ Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000000767388 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000000767390 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000000767396 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000000767398 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000767408 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000767410 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000000767416 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000000767417 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000000767554 KJ Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000000767556 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000767558 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000767560 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000000767562 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000000767564 KJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000767754 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000000767756 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000000767759 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000000767761 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1OC ZINC000000767791 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1OC ZINC000000767792 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000000767959 KJ Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000000767961 KJ Annotated Bother CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768174 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768175 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768176 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768177 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(N)=O)ccc1O2 ZINC000000768178 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(N)=O)ccc1O2 ZINC000000768179 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(N)=O)ccc1O2 ZINC000000768180 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(N)=O)ccc1O2 ZINC000000768181 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768184 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768185 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000768230 KJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000768231 KJ Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000768236 KJ Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000768237 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000000768295 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000000768296 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000000768297 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000000768298 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000000768315 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000000768316 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000000768317 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000000768318 KJ Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000000768368 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000000768381 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768408 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768409 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768410 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768411 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768422 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000000768610 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000000768611 KJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000768620 KJ Annotated Bother O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000768622 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000768625 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000768626 KJ Annotated Bother COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000000768630 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000000768689 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000000768726 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000768738 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000000768790 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000768898 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000768900 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000768906 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000768908 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000000768910 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000000768912 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000000768914 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000000768916 KJ Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000769092 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000769093 KJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000769133 KJ Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000769135 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000000769137 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000000769139 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000769158 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000769159 KJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000769166 KJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000769168 KJ Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000000769171 KJ Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000000769173 KJ Annotated Bother O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000769333 KJ Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000000769485 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000000769487 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000000769500 KJ Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000000769502 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000000769509 KJ Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000000769511 KJ Annotated Bother COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000000769550 KJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000000769552 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000769641 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769679 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769713 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769721 KJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000769746 KJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000769747 KJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000769754 KJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000769755 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000769778 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000769779 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000000769782 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000000769783 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000769786 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000769787 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000769842 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000769844 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)c1 ZINC000000769846 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)c1 ZINC000000769848 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000000769850 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000000769852 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000769941 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000769942 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000000769945 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000000769946 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000000769949 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000000769950 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000000769977 KJ Annotated Bother COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000000769979 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000769981 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000769983 KJ Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000000769985 KJ Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000000769987 KJ Annotated Bother CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000770049 KJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000770050 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770063 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770065 KJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000770118 KJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000770119 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000000770179 KJ Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000000770181 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000770199 KJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000770201 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1OC ZINC000000770204 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1OC ZINC000000770206 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000000770315 KJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000000770316 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2OC)ccc1OC ZINC000000770332 KJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2OC)ccc1OC ZINC000000770334 KJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000000770355 KJ Annotated Bother COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000000770357 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770508 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770510 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1Br ZINC000000770527 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1Br ZINC000000770529 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770531 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770533 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000770768 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000770824 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000000770900 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000770998 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000770999 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000771000 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000771001 KJ Annotated Bother CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771140 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771141 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771142 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771143 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771212 KJ Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771213 KJ Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771214 KJ Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771215 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000771232 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000771233 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000771234 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000771235 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771376 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771377 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771378 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771379 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771464 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771466 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771472 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771474 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1N ZINC000000771570 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1N ZINC000000771572 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000771574 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771584 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771586 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccccc1F ZINC000000771650 KJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccccc1F ZINC000000771652 KJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1N ZINC000000771664 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1N ZINC000000771666 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000771672 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000000771688 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000000771690 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000771692 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771925 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771927 KJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000000771938 KJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772099 KJ Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772101 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000772104 KJ Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000772105 KJ Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000772200 KJ Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000000772201 KJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000772212 KJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000000772263 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000772371 KJ Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000772373 KJ Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000772379 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000772381 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000000772383 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000000772385 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000000772387 KJ Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000000772389 KJ Annotated Bother COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000772565 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000772566 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000000772569 KJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000000772571 KJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772605 KJ Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772607 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000000772609 KJ Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000000772611 KJ Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000772630 KJ Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000772631 KJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000772638 KJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000772640 KJ Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000000772643 KJ Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000000772645 KJ Annotated Bother O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772804 KJ Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000000772966 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000000772984 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)cc2OC)c1 ZINC000000772986 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)cc2OC)cc(OC)c1 ZINC000000772988 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)cc(OC)c1 ZINC000000772989 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000000773052 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000000773054 KJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000773069 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000000773090 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000000773092 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000000773264 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000000773284 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)cc2OC)c1 ZINC000000773286 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)cc2OC)cc(OC)c1 ZINC000000773288 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)cc2OC)cc(OC)c1 ZINC000000773289 KJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000773318 KJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000773319 KJ Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000000773391 KJ Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC ZINC000000773392 KJ Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OC ZINC000000773393 KJ Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000000773394 KJ Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000773492 KJ Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000773493 KJ Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC000000773522 KJ Annotated Bother COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC000000773659 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000000773660 KJ Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1 ZINC000000773661 KJ Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)(C)CO)cc1OC ZINC000000773668 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000000773832 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000773925 KJ Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000774093 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000774094 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000774095 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000774096 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1OC ZINC000000774111 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1OC ZINC000000774112 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1OC ZINC000000774113 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1OC ZINC000000774114 KJ Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2ccccc2F)cc1 ZINC000000774322 KJ Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccccc2OC)cc1 ZINC000000774329 KJ Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCc2ccccc2OC)cc1 ZINC000000774337 KJ Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000000774544 KJ Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000000774545 KJ Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000000774546 KJ Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000000774547 KJ Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774649 KJ Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774650 KJ Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774655 KJ Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774656 KJ Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774657 KJ Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774658 KJ Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000774659 KJ Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000774660 KJ Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000000774977 KJ Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC ZINC000000774978 KJ Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OC ZINC000000774979 KJ Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000000774980 KJ Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000775078 KJ Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000775079 KJ Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC000000775108 KJ Annotated Bother COc1cccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC000000775245 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000000775246 KJ Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1 ZINC000000775247 KJ Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)(C)CO)cc1OC ZINC000000775254 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000000775419 KJ Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000775853 KJ Annotated Bother COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000000775854 KJ Annotated Bother COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000000775855 KJ Annotated Bother CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000000775964 KJ Annotated Bother CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC(C)(C)O2 ZINC000000776063 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC(C)(C)O2 ZINC000000776064 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC(C)(C)O2 ZINC000000776065 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC(C)(C)O2 ZINC000000776066 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC(C)(C)O2 ZINC000000776067 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC(C)(C)O2 ZINC000000776068 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC(C)(C)O2 ZINC000000776069 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC(C)(C)O2 ZINC000000776070 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776077 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776078 KJ Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776079 KJ Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776080 KJ Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776081 KJ Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776082 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776089 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776090 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776091 KJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776092 KJ Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776093 KJ Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776094 KJ Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776095 KJ Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776096 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000000776287 KJ Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NC[C@H](O)CO)cc1OCc1ccccc1 ZINC000000776473 KJ Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NC[C@@H](O)CO)cc1OCc1ccccc1 ZINC000000776474 KJ Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NC[C@H](O)CO)cc1OCc1ccccc1 ZINC000000776475 KJ Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NC[C@@H](O)CO)cc1OCc1ccccc1 ZINC000000776476 KJ Annotated Anodyne COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NC[C@H](O)CO)cc1OCc1ccccc1 ZINC000000776481 KJ Annotated Anodyne COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NC[C@@H](O)CO)cc1OCc1ccccc1 ZINC000000776482 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000776645 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000776646 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000776647 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000776648 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776741 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776742 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776753 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776754 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776755 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777075 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777076 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777077 KJ Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777078 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000777110 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777124 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777125 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777126 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777127 KJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000777135 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000777556 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000777557 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000777558 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000777559 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000777560 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000777561 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000777562 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000777563 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777570 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777571 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777572 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777573 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000777574 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000777575 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777580 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000777581 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777582 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000777583 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777584 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000777585 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777586 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000777587 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000777588 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000777589 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000777590 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000777591 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000777604 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000777605 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000777606 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000777607 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000777634 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000777635 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000777636 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000777637 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000777638 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000777639 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000777640 KJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000777641 KJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000000777642 KJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000000777643 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000000777644 KJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000000777645 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777665 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777666 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777667 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777668 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777739 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777740 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777741 KJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777742 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000000777749 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000000777750 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000000777751 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000000777760 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000000777761 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777764 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777765 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777766 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777767 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000777792 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000777793 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000777794 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000777795 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000777796 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000777797 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000777806 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000777807 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000777808 KJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000777809 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000777810 KJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000777811 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000000777836 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000000777837 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000000785061 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000000785064 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000000785065 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000000785067 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000000785077 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000000785079 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000000785080 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000000785081 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000000785110 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785142 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785144 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785147 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785150 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785177 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccco3)C2)c1 ZINC000000785229 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccco3)C2)c1 ZINC000000785231 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccco3)C2)c1 ZINC000000785233 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccco3)C2)c1 ZINC000000785237 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000785453 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785572 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785576 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785578 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785580 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785686 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785688 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785690 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785695 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000785784 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000785787 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000785790 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000785792 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000000785795 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(N)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000785868 KJ Annotated Clean COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(N)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000785871 KJ Annotated Clean COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(N)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000785873 KJ Annotated Clean COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(N)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000785875 KJ Annotated Clean COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(N)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000000785878 KJ Annotated Clean COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000000786015 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@H](C)O)cc1 ZINC000000786237 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000000786288 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000000786733 KJ Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2C(C)C)cc1 ZINC000000787225 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000000787351 KJ Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000000787532 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787614 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787616 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787619 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787621 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787741 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787744 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787746 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787748 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000788098 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000788100 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000788101 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000788103 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000788105 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000788107 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788194 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788196 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCc1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000788198 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCc1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000788199 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000788200 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000788201 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCc1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000788231 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCc1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000788232 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000788234 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000788236 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000000788252 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000000788254 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCc1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000788255 KJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCc1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000788257 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000788258 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000788260 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000000788414 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000000788416 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000000788417 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000000788419 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000788476 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000788953 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000788956 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000788958 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000788960 KJ Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789118 KJ Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789120 KJ Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789122 KJ Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789124 KJ Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789125 KJ Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789128 KJ Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789129 KJ Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789131 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NC[C@H]2CCCO2)CC2(CCCCC2)O3)cc1OC ZINC000000789201 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NC[C@H]2CCCO2)CC2(CCCCC2)O3)cc1OC ZINC000000789203 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NC[C@@H]2CCCO2)CC2(CCCCC2)O3)cc1OC ZINC000000789205 KJ Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NC[C@@H]2CCCO2)CC2(CCCCC2)O3)cc1OC ZINC000000789207 KJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000789257 KJ Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789280 KJ Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789282 KJ Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000789396 KJ Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000789398 KJ Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000789438 KJ Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000789439 KJ Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789477 KJ Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789479 KJ Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789480 KJ Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789482 KJ Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789492 KJ Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789493 KJ Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789495 KJ Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789497 KJ Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789499 KJ Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789500 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NC)CC1(CCCCC1)O2 ZINC000000789574 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NC)CC1(CCCCC1)O2 ZINC000000789576 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NC)CC1(CCCCC1)O2 ZINC000000789578 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NC)CC1(CCCCC1)O2 ZINC000000789580 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=S)NC)CC1(CCCCC1)O2 ZINC000000789582 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=S)NC)CC1(CCCCC1)O2 ZINC000000789583 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=S)NC)CC1(CCCCC1)O2 ZINC000000789585 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=S)NC)CC1(CCCCC1)O2 ZINC000000789587 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789599 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789601 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789603 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789605 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789618 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789619 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789620 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789621 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789672 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789674 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000789675 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000789676 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789677 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789679 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000789680 KJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000789682 KJ Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789683 KJ Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789685 KJ Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000789686 KJ Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000789687 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000000789689 KJ Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000000789690 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000000789692 KJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000000789693 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789700 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789701 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789703 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789704 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC1(CCCCC1)O2 ZINC000000789740 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC1(CCCCC1)O2 ZINC000000789741 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC1(CCCCC1)O2 ZINC000000789743 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC1(CCCCC1)O2 ZINC000000789745 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000789747 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000789748 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789750 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789751 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789752 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789754 KJ Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000789755 KJ Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000789756 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000789757 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000789758 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000789759 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000789760 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789762 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789763 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789764 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789766 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789767 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789769 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789770 KJ Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789772 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000000789796 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000000789798 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000000789801 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000000789802 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789841 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789843 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000789844 KJ Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000789845 KJ Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000000789847 KJ Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000000789848 KJ Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000000789849 KJ Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000000789851 KJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000000789852 KJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000000789854 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000789990 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000789992 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000789994 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000789996 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@@H]3O)ccc2c1 ZINC000000790109 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000000790116 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000000790142 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000000790145 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000000790148 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000000790150 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000790169 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000790171 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000790174 KJ Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000790176 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000790382 KJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790507 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000000790635 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000000790636 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000000790638 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000000790640 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000790659 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000000790662 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000790663 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000000790665 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000000790681 KJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000000791021 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1N ZINC000000791063 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000000791064 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1N ZINC000000791065 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000000791067 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791300 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791303 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791305 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791308 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H]3CCCC[C@@H]3O)ccc2c1 ZINC000000791424 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H](C)CO)ccc2c1 ZINC000000791578 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000000791582 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000791606 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cnccn3)C2)cc1 ZINC000000791701 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cnccn3)C2)cc1 ZINC000000791706 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cnccn3)C2)cc1 ZINC000000791708 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cnccn3)C2)cc1 ZINC000000791711 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1OC ZINC000000791737 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1OC ZINC000000791739 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1OC ZINC000000791740 KJ Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1OC ZINC000000791742 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000000791751 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000000791754 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000000791757 KJ Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000000791760 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000000791787 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000000791911 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000000791914 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000000791928 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000000791987 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000000791989 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000000791991 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000000791995 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC000000792019 KJ Annotated Clean COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC000000792021 KJ Annotated Clean COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC000000792024 KJ Annotated Clean COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC000000792025 KJ Annotated Clean COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000000792040 KJ Annotated Clean COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000000792042 KJ Annotated Clean COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000000792044 KJ Annotated Clean COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000000792046 KJ Annotated Clean CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cnccn3)C2)cc1 ZINC000000792081 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cnccn3)C2)cc1 ZINC000000792084 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cnccn3)C2)cc1 ZINC000000792087 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cnccn3)C2)cc1 ZINC000000792089 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000792298 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000792347 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000792349 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000792353 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000792355 KJ Annotated Anodyne CC(=O)Nc1cccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000000930918 KJ Annotated Anodyne CC(=O)Nc1cccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000000930919 KJ Annotated Anodyne CC(=O)Nc1cccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000000930920 KJ Annotated Anodyne CC(=O)Nc1cccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000000930921 KJ Annotated Anodyne N#CC1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(c2nc3ccccc3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000050704614 KJ Annotated Reactive N#CC1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000050704615 KJ Annotated Reactive Clc1cccc(C23N/C(=N\c4nc5ccccc5[nH]4)NC2(c2ccccc2)N/C(=N\c2nc4ccccc4[nH]2)N3)c1 ZINC000051065577 KJ Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H]2[C@]3(CC[C@@H](C)[C@]24C[C@H](c2ccoc2)OC4=O)COC(=O)[C@@H]3[C@H]1OC(=O)[C@H](C)CC ZINC000523041964 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H]2[C@]3(CC[C@@H](C)[C@]24C[C@H](c2ccoc2)OC4=O)COC(=O)[C@@H]3[C@@H]1OC(=O)[C@@H](C)CC ZINC000523041965 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H]2[C@]3(CC[C@@H](C)[C@]24C[C@H](c2ccoc2)OC4=O)COC(=O)[C@@H]3[C@H]1OC(=O)[C@@H](C)CC ZINC000523041966 KJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C(=O)N2 ZINC000052955730 KJ Annotated Bother CC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C(=O)N2 ZINC000052955735 KJ Annotated Bother CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCC(=O)O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000053084517 KJ Annotated Anodyne O=C(NCCc1c[nH]cn1)c1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 ZINC000053226668 KJ Annotated Anodyne C=CCN(C(=O)NCc1ccc(F)c(F)c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 ZINC000053230252 KJ Annotated Mild CCOC(=O)C1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000053243377 KJ Annotated Reactive COCCCN1C(=O)COc2ccc(SC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21 ZINC000053268041 KJ Annotated Anodyne O=C1C(=O)c2cc(-c3cc(O)c(O)c(O)c3)ccc2C(Oc2c(O)cc(-c3ccc4cc(O)c(O)c(O)c4c3)cc2O)=C1O ZINC000053293424 KJ Annotated Mild C=CCN(C(=O)Cc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 ZINC000053295033 KJ Annotated Mild COc1cc(CC(=O)NC2(C)CCN(CC[C@H](NC(=O)C3CCCCC3)c3cccc(F)c3)CC2)cc(O)c1OC ZINC000053295881 KJ Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1ccc(-c2nnc3n2N=C(Nc2ccccc2)CS3)cc1 ZINC000053296977 KJ Annotated Anodyne Cc1cc(OCP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C)c2c(c1C)Cc1scnc1-2 ZINC000053298266 KJ Annotated Anodyne C=CCN(C(=O)NCc1ccc(F)cc1F)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 ZINC000053298862 KJ Annotated Mild C=CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 ZINC000053312636 KJ Annotated Mild C=CCN(C(=O)NCc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 ZINC000053312640 KJ Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(C(=O)NCCN(C)C)cc43)[nH]c2c(OC)c1OC ZINC000053312690 KJ Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(C(=O)NCCN(C)C)cc43)[nH]c2c(OC)c1OC ZINC000053312692 KJ Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCN(C)C)ccc43)[nH]c2c(OC)c1OC ZINC000053313962 KJ Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCN(C)C)ccc43)[nH]c2c(OC)c1OC ZINC000053313964 KJ Annotated Reactive COc1cc([C@H]2Oc3c(OC)cc(/C=C\C(=O)NCCc4ccc(O)cc4)cc3[C@@H]2C(=O)NCCc2ccc(O)cc2)ccc1O ZINC000005519383 KJ Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C(=O)NCCc4ccc(O)cc4)cc3[C@@H]2C(=O)NCCc2ccc(O)cc2)ccc1O ZINC000005519386 KJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](COS(C)(=O)=O)c4ccc(NC(=O)OCc5ccccc5)cc43)[nH]c2c(OC)c1OC ZINC000005538899 KJ Annotated Mild Nc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000005545762 KJ Annotated Clean Nc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000005545768 KJ Annotated Clean COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1 ZINC000005579226 KJ Annotated Clean CC(=O)O[C@@H]1CO[C@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005581728 KJ Annotated Anodyne Cc1c(N2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000005582265 KJ Annotated Mild COC(=O)c1cc2c3c(cc(N(C)C)c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@H]3CCl ZINC000005582533 KJ Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NCCN)c3ccccc43)[nH]c2c(OC)c1OC ZINC000005582600 KJ Annotated Reactive CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@]45CCN6C/C(=C/CO)[C@H](C[C@H]64)[C@@H]([C@@H]1O)[C@H]35)-c1[nH]c3ccccc3c1CC2 ZINC000005582893 KJ Annotated Clean CC(C)(C(=O)N(C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000005596765 KJ Annotated Anodyne COc1cc(N(Cc2ccc3nc(OC)c(OC)nc3c2)Cc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC ZINC000005741659 KJ Annotated Clean COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000005741799 KJ Annotated Bother COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000005741800 KJ Annotated Bother O=C(OC[C@H]1O[C@H]2O[C@@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@@H]2[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005742306 KJ Annotated Bother O=C(OC[C@@H]1O[C@H]2O[C@@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@@H]2[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005742308 KJ Annotated Bother CN(CCCNC(=O)c1n[nH]c2c1ccc1ccccc12)CCCNC(=O)c1n[nH]c2c1ccc1ccccc12 ZINC000005800998 KJ Annotated Anodyne O=C(COc1ccc(Br)cc1Br)N1N=C(c2ccc([N+](=O)[O-])o2)C[C@]1(O)c1ccccc1 ZINC000005807966 KJ Annotated Bother O=C1c2ccccc2C(=O)N1CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O ZINC000005808462 KJ Annotated Anodyne C=C1CC[C@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000005812790 KJ Annotated Mild O=C(c1ccc(O)cc1O)[C@@H]1[C@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)cc1O ZINC000005813362 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@@H]1[C@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)cc1O ZINC000005813364 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)cc2)[C@H]1C(=O)c1ccc(O)cc1O ZINC000005813366 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@H]1[C@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000005813367 KJ Annotated Anodyne O=C(CC1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(CC(=O)c3ccccc3)=N4)n2C1=O)c1ccccc1 ZINC000005813541 KJ Annotated Anodyne O=C1C(S(=O)(=O)c2ccccc2)=C(CS(=O)(=O)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000005822613 KJ Annotated Mild COC(=O)c1csc([C@@H](OC(=O)[C@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc([C@H](O)CO)n2)C(C)C)n1 ZINC000005822730 KJ Annotated Anodyne COc1cc(C(=O)[C@@H]2C[C@@]3(CC[C@]2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC ZINC000005822795 KJ Annotated Anodyne COc1cc(C(=O)[C@@H]2C[C@]3(CC[C@]2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC ZINC000005822797 KJ Annotated Anodyne O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000005834397 KJ Annotated Anodyne C=C1[C@H](OCC(C)C)[C@@H](OCC(C)C)[C@@H](O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@H]1OCC(C)C ZINC000005839294 KJ Annotated Mild C=C(C)[C@@H]1CC[C@@H](C)[C@](O)([C@@H]2C[C@@H]([C@H](COC(=O)c3ccccc3)OC(=O)c3ccccc3)OC2=O)C1 ZINC000005841968 KJ Annotated Mild CC(=O)O[C@H]1C[C@@H]2C(C)(C)OC(=O)C[C@@H](OC(C)=O)[C@]2(C)[C@H]2CC[C@@]3(C)C(=CC[C@@H]3[C@H]3COC(=O)C3)[C@]12C ZINC000005844626 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C)(C)OC(=O)C[C@@H](OC(C)=O)[C@]2(C)[C@@H]2CC[C@@]3(C)C(=CC[C@@H]3[C@H]3COC(=O)C3)[C@]12C ZINC000005844639 KJ Annotated Anodyne COC(=O)Cc1c([C@H]2[C@H](CC(=O)OC)c3ccccc3N2S(=O)(=O)c2ccc(C)cc2)[nH]c2ccccc12 ZINC000005848159 KJ Annotated Anodyne COc1nc(OC)nc(Sc2ccc(Sc3ccc(Sc4nc(OC)nc(OC)n4)cc3)cc2)n1 ZINC000005848972 KJ Annotated Anodyne COC(=O)c1onc([C@@H]2OC(C)(C)O[C@H]2[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OC ZINC000005849909 KJ Annotated Anodyne COC(=O)c1onc([C@@H]2OC(C)(C)O[C@@H]2[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OC ZINC000005849927 KJ Annotated Anodyne O=C(N/[S@](=N/S(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000005852397 KJ Annotated Anodyne CCCCCC(=O)OC[n+]1cccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)c1 ZINC000005852737 KJ Annotated Anodyne CCC(CC)C(=O)OC[n+]1cccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)c1 ZINC000005852743 KJ Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc[n+](COC(=O)CC(C)(C)C)c2)n2c1CCC2 ZINC000005852762 KJ Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc[n+](COC(=O)C3CCCCC3)c2)n2c1CCC2 ZINC000005852765 KJ Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](COC(=O)C3CCCCC3)cc2)n2c1CCC2 ZINC000005852780 KJ Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](COC(=O)CC(C)(C)C)cc2)n2c1CCC2 ZINC000005852802 KJ Annotated Anodyne CCC(CC)C(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1 ZINC000005852805 KJ Annotated Anodyne CCCCCC(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1 ZINC000005852814 KJ Annotated Anodyne CC(=O)OCC1=C(C)[C@@H](OC(=O)[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)CCC1(C)C ZINC000005853984 KJ Annotated Anodyne CC(=O)OCC1=C(C)[C@H](OC(=O)[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)CCC1(C)C ZINC000005853988 KJ Annotated Anodyne Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C)oc6cc45)c3cc2o1 ZINC000005884271 KJ Annotated Bother in-vitro biogenic CC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](COC(=O)c4ccc(OC)c(OC)c4)(C2)[C@@H]13 ZINC000005884492 KJ Annotated Anodyne NC1=NN(c2ccccc2)C(=O)[C@@H]1/C(=N\NC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005889225 KJ Annotated Reactive C#C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2O[C@@H]([C@H](C/C=C/CC)OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2O1 ZINC000005922624 KJ Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1C[C@H](I)[C@@]1(C)CC[C@H](O1)[C@](C)(I)CCC[C@@H](C)[C@@H]2O ZINC000005923677 KJ Annotated Reactive COC(=O)c1cc(C(=CCC2OCCO2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000005923811 KJ Annotated Anodyne CC[C@@H]1C(=O)N[C@H](CC2=N/C(=C\c3[nH]c(C[C@H]4NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)[C@@H]1C ZINC000056871204 KJ Annotated Anodyne in-vitro C=CC1=C(C)[C@@H](CC2=N/C(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C\C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000056871254 KJ Annotated Anodyne in-vitro C=CC1=C(C)[C@@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000056874964 KJ Annotated Anodyne in-man C=CC1=C(C)[C@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000056874965 KJ Annotated Anodyne in-man C[C@](Cc1ccc(Oc2cc(N3CCN(c4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000056948331 KJ Annotated Anodyne O=C(CCc1ccc(O)c(Br)c1)NCCSSCCNC(=O)CCc1ccc(O)c(Br)c1 ZINC000057531131 KJ Annotated Reactive Cc1onc(-c2ccccc2)c1CN([C@@H]1C[C@H]2CC(C#N)=CC=C2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000058468269 KJ Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c[nH]c4ccccc34)C(=O)N2)cc1 ZINC000058468437 KJ Annotated Anodyne CC(=O)N1N=C2[C@H](Cc3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000058482258 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000058482459 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(CC(C)C)[C@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000058482486 KJ Annotated Anodyne COC(=O)[C@H](COC(C)(C)C)NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000058494061 KJ Annotated Anodyne COc1cccc(Nc2ncc(-c3ccc(C(=O)NCC(=O)Nc4ccccc4)cc3)c(OCC3CCNCC3)n2)c1 ZINC000584904664 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CC23CC4CC(CC(C4)C2)C3)NC(=O)O[C@H]2CO[C@H]3OCCC[C@@H]23)cc1 ZINC000584904710 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H](CO)NCc1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000584904759 KJ Annotated Clean CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(O)nc12 ZINC000584905250 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)[C@@]1(C)CCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(N)cc2)C[C@H](C)C(=O)O)cs1)C(C)C ZINC000584905266 KJ Annotated Clean Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccccc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 ZINC000584905275 KJ Annotated Anodyne CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@@H](NC(=O)c2ccnn2C)Cc2cc(ccc2Cl)Oc2ccc(cc2)C2(CCCC2)CC(=O)N1 ZINC000584905336 KJ Annotated Anodyne O=S(=O)(Oc1ccc(I)cc1)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905368 KJ Annotated Anodyne O=S(=O)(Oc1ccc(Br)cc1)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905632 KJ Annotated Anodyne O=S(=O)([C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccccc1 ZINC000584905637 KJ Annotated Anodyne O=S(=O)(Oc1cccc(Br)c1)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905646 KJ Annotated Anodyne CC(=O)O[C@@H](C)OC(=O)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)O[C@H](C)OC(C)=O)cc3)o2)cc1 ZINC000058503209 KJ Annotated Anodyne CCC(=O)NNC(=O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058506380 KJ Annotated Reactive CN(C[C@@](C)(CCN1CC[C@H]2[C@@H](CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000058512710 KJ Annotated Anodyne COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4Oc5ccccc5O[C@@H]34)cc2)cc1OC ZINC000058513000 KJ Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO ZINC000058528142 KJ Annotated Anodyne CC(=O)OC[C@](O)([C@@H](Cc1cc(O)c(C)cc1O)OC(C)=O)[C@@]12CC[C@@](C)(C[C@H](/C=C(\C)CCC=C(C)C)O1)O2 ZINC000058528756 KJ Annotated Anodyne Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2F)c(=O)nc1-n1cncn1 ZINC000058532916 KJ Annotated Anodyne COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000058534027 KJ Annotated Anodyne CN1CCN(CC(=O)O[C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058537941 KJ Annotated Anodyne O=c1nc(-n2cncn2)ccn1[C@@H]1S[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000058538511 KJ Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000058539480 KJ Annotated Anodyne O=C(OCC(F)(F)F)[C@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@@H]1c1ccco1 ZINC000058543272 KJ Annotated Anodyne COc1ccc([C@@H]2COc3cc(O)c([C@@H](c4ccc(O)cc4O)[C@@H](O)Cc4ccc(O)cc4)cc3C2)c(O)c1OC ZINC000058548576 KJ Annotated Anodyne CC(=O)O[C@H]1CC(=O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5CO[C@@H](O)C5)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000058548587 KJ Annotated Anodyne C[C@]12C[C@]34C[C@H]1C[C@H](O2)[C@H]3[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C[C@@H]4c1ccccc1 ZINC000058549853 KJ Annotated Anodyne CNC(=O)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000058554902 KJ Annotated Anodyne CNc1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)c3ccccc23)n1 ZINC000058555045 KJ Annotated Anodyne CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)Nc1cnccn1 ZINC000058555064 KJ Annotated Anodyne COc1cc(OC)cc([C@@H]2[C@@H](C)C(=O)C[C@H](c3cc(OC)cc(OC)c3)N2C(=O)Cn2cnc3ccccc32)c1 ZINC000058559870 KJ Annotated Anodyne O=C(O)CN(CC(=O)O)c1ccc(F)cc1OCCOc1cc(-c2nc3cc(C(F)(F)F)ccc3s2)ccc1N(CC(=O)O)CC(=O)O ZINC000058562175 KJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCN3CCC[C@H]3CCl)ccc(NCCN3CCC[C@H]3CCl)c21 ZINC000058563014 KJ Annotated Anodyne C=C[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)[P@](C)(=O)O ZINC000058570391 KJ Annotated Mild O=C(O)c1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccc(I)cc3c2=O)c1 ZINC000058575117 KJ Annotated Bother C=C1[C@@H](OC(=O)c2cccnc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000058575727 KJ Annotated Mild O=C(Nc1ccccc1)c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058576214 KJ Annotated Anodyne c1cc2[nH]c(CCc3nc4ccc(C5=N[C@@H]6CCCC[C@H]6N5)cc4[nH]3)nc2cc1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000058576664 KJ Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(Cc3ccccc3)CC(=O)N1[C@H]2COCc1ccccc1 ZINC000058582004 KJ Annotated Anodyne O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cccc(Cl)c1)C2)C(=O)O)c1cccs1 ZINC000058582073 KJ Annotated Anodyne O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O)c1cccs1 ZINC000058582125 KJ Annotated Anodyne CC1(C)Oc2ccc3c(=O)cc(CC#N)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582290 KJ Annotated Mild Cc1c(C#N)oc2c3c(ccc2c1=O)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582292 KJ Annotated Mild Cc1oc2c3c(ccc2c(=O)c1N)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582430 KJ Annotated Anodyne CCc1oc2c3c(ccc2c(=O)c1N)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582431 KJ Annotated Anodyne O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O)c1cccs1 ZINC000058582489 KJ Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C)[C@@H](Cc3ccccc3)C(=O)N1[C@H]2COCc1ccccc1 ZINC000058583265 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)[C@@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058583440 KJ Annotated Anodyne CCOc1nc(N[C@@H](Cc2ccc3c(c2)COC(C)(C)O3)C(=O)NC)nc(-n2cnc3cc(C(=O)N4CCCc5ccccc54)ccc32)n1 ZINC000058583448 KJ Annotated Anodyne COc1c(N2CCC[C@@H](N(C)CCN3C(=O)/C(=N\Nc4ccccc4)c4ccccc43)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000058583897 KJ Annotated Mild C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 ZINC000058583976 KJ Annotated Mild CCOC(=O)N1c2ccccc2[C@@H](S(=O)(=O)c2ccccc2)[C@H](O)[C@@H]1C#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1 ZINC000058583981 KJ Annotated Mild C/C1=C\[C@@H](OC(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@](=O)SC(=O)[C@]2(C)O ZINC000058586546 KJ Annotated Reactive C/C1=C\[C@@H](OC(=O)C2CCCCC2)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@](=O)SC(=O)[C@]2(C)O ZINC000058589825 KJ Annotated Reactive C[C@H](c1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12)N1CCCCC1 ZINC000058591163 KJ Annotated Anodyne O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(I)cc3c2=O)cc1 ZINC000058591670 KJ Annotated Bother C[C@]1(OC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000058596320 KJ Annotated Reactive COc1c(N2CCC[C@H](N(C)CCN3C(=O)/C(=N\Nc4ccccc4)c4cc(F)ccc43)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000058598721 KJ Annotated Mild CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000058602054 KJ Annotated Bother COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(CCCN(Cc3c[nH]cn3)[C@H]2c2ccccc2)C1 ZINC000058608964 KJ Annotated Anodyne Cn1cnc(CCNC(=O)[C@@H]2CN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)c1 ZINC000058609429 KJ Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000058618087 KJ Annotated Mild CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CC[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O ZINC000058632326 KJ Annotated Clean C=CC1=C(C)[C@@H](Cc2[nH]c(/C=C3\N=C(/C=C4\NC(=O)[C@H](C)[C@H]4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O ZINC000058633585 KJ Annotated Anodyne COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(N4CCOCC4)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000058649937 KJ Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000058650130 KJ Annotated Mild in-vitro metabolite Nc1ccn([C@@H]2S[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(=O)n1 ZINC000058655460 KJ Annotated Anodyne CN1CCN(CCC(=O)N[C@@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058660445 KJ Annotated Anodyne O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2)C(=O)O)c1cccs1 ZINC000058660990 KJ Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)OC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000058668635 KJ Annotated Reactive CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3C(F)(F)F)CO2)[C@H]1c1ccc(F)cc1 ZINC000058668942 KJ Annotated Anodyne Cn1cncc1CCNC(=O)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000058669642 KJ Annotated Anodyne CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3OC(F)(F)F)CO2)[C@H]1c1ccc(F)cc1 ZINC000058672556 KJ Annotated Anodyne Cn1nnc([C@H]2C[C@@]3(c4ccccc4)N[C@@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000058678155 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4(c5ccccc5)CCC(=O)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586877491 KJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c12 ZINC000586878599 KJ Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cncc([N+](=O)[O-])c5[nH]4)c3)cc2)c1 ZINC000586878888 KJ Annotated Bother Cc1ccc([C@H](C)[C@H](O)c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)cc1 ZINC000586887210 KJ Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)cc1 ZINC000586887216 KJ Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)cc1 ZINC000586887218 KJ Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)cc1 ZINC000586887220 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@](C)(O)C(C)C)[nH]c3cc21 ZINC000586889319 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@](C)(O)C(C)C)[nH]c3cc21 ZINC000586889324 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586891181 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586891188 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586891501 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586891506 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@@]34CCc3ccccc34)nc1-2 ZINC000586892260 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@]34CCc3ccccc34)nc1-2 ZINC000586892269 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@]34CCc3ccccc34)nc1-2 ZINC000586892271 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@]34CCc3ccccc34)nc1-2 ZINC000586892273 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](O)c4cccc(O)c4)[nH]c3cc21 ZINC000586892489 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](O)c4cccc(O)c4)[nH]c3cc21 ZINC000586892511 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586892611 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586892622 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586892628 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586892635 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCCCc3cccc(O)c3)nc1-2 ZINC000586896747 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc4c(c3O)CCCC4)nc1-2 ZINC000586898100 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586900544 KJ Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)oc12 ZINC000586902816 KJ Annotated Anodyne Cc1oc2c(c1-c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)C(=O)CCC2 ZINC000586904029 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586906681 KJ Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)ccc21 ZINC000586907173 KJ Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c3cc21 ZINC000586907194 KJ Annotated Reactive C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Br)c([N+](=O)[O-])c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907529 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Br)c([N+](=O)[O-])c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907551 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Br)c([N+](=O)[O-])c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907553 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Br)c([N+](=O)[O-])c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907557 KJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)nc2c1 ZINC000586907640 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)nc2c1 ZINC000586907647 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)nc2c1 ZINC000586907650 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)nc2c1 ZINC000586907651 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@H]4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586908218 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@H]4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586908226 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@@H]4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586908228 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586908231 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(Cl)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586909750 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(Cl)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586909751 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(Cl)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586909752 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(Cl)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586909753 KJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@@H]4O)[nH]c3c2)cc1 ZINC000586910010 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3c2)cc1 ZINC000586910011 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@H]4O)[nH]c3c2)cc1 ZINC000586910012 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@H]4O)[nH]c3c2)cc1 ZINC000586910013 KJ Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@@H](O)[C@H]5O)[nH]c4c3)cc2)CC1 ZINC000586910060 KJ Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@@H](O)[C@@H]5O)[nH]c4c3)cc2)CC1 ZINC000586910061 KJ Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@H](O)[C@H]5O)[nH]c4c3)cc2)CC1 ZINC000586910062 KJ Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@H](O)[C@@H]5O)[nH]c4c3)cc2)CC1 ZINC000586910063 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(Br)cc([N+](=O)[O-])c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910401 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(Br)cc([N+](=O)[O-])c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910404 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(Br)cc([N+](=O)[O-])c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910407 KJ Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(Br)cc([N+](=O)[O-])c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910411 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CC(=O)OC4(C)C)[nH]c3cc21 ZINC000586910860 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CC(=O)OC4(C)C)[nH]c3cc21 ZINC000586910865 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586910925 KJ Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586910932 KJ Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2c1 ZINC000586911796 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2c1 ZINC000586911797 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2c1 ZINC000586911799 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2c1 ZINC000586911800 KJ Annotated Anodyne CC1(C)COc2c(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cccc21 ZINC000586912036 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4=COCC4)[nH]c3cc21 ZINC000586912581 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7c(N)nc(-c8nn(Cc9ccccc9F)c9ncccc89)nc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913563 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7c(N)nc(-c8nn(Cc9ccccc9F)c9ncccc89)nc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913572 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7c(N)nc(-c8nn(Cc9ccccc9F)c9ncccc89)nc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913576 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7c(N)nc(-c8nn(Cc9ccccc9F)c9ncccc89)nc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913577 KJ Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586915099 KJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586915100 KJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586915101 KJ Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586915102 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CC5(COC5)C4)[nH]c3cc21 ZINC000586915382 KJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c(Br)cnc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586916956 KJ Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(O)cc5c(c4C)C(=O)c4c(O)c([C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(O)c(O)c4C5=O)[nH]c3cc21 ZINC000586917877 KJ Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(CCc4c(C)c5ccc(OC)c(C)c5oc4=O)[nH]c3c2)cc1 ZINC000586918214 KJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c(=O)oc2c1C ZINC000586918230 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1 ZINC000586918500 KJ Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(O)cc4c(c3C)C(=O)c3c(O)c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)c(O)c3C4=O)[nH]c21 ZINC000586918880 KJ Annotated Clean COc1ccc2c(C)c(CCc3nc4c(I)cnc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586919168 KJ Annotated Anodyne O=C(O)c1cc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586919579 KJ Annotated Bother CSc1sc(-c2nc3cc(I)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919626 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1 ZINC000586919647 KJ Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586919988 KJ Annotated Bother CSc1sc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920164 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3cc21 ZINC000586920275 KJ Annotated Bother O=S(=O)(CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920324 KJ Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586920803 KJ Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1 ZINC000586920807 KJ Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920817 KJ Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920872 KJ Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000586921132 KJ Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000586921810 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCS(=O)(=O)c5ccc6c(c5)CCC6)[nH]c4c3)o2)cc1 ZINC000586921951 KJ Annotated Anodyne O=S(=O)(CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922283 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)o1 ZINC000586922558 KJ Annotated Anodyne CCCOc1cc2nc(-c3cccc(S(=O)(=O)Cc4nnc(CC)o4)c3)[nH]c2cc1Br ZINC000586922560 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)o1 ZINC000586922720 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)o1 ZINC000586922768 KJ Annotated Anodyne N=c1[nH]cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2[nH]1 ZINC000586922854 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)o1 ZINC000586922915 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)o1 ZINC000586923164 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)o1 ZINC000586923237 KJ Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923317 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)c2)o1 ZINC000586923428 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)c2)o1 ZINC000586923536 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)o1 ZINC000586923569 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)o1 ZINC000586923599 KJ Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cnnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923613 KJ Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(O)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923627 KJ Annotated Anodyne Nc1ncnc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586923696 KJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)o1 ZINC000586923715 KJ Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccccc1 ZINC000586924184 KJ Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccccc1 ZINC000586924185 KJ Annotated Anodyne COc1cc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924320 KJ Annotated Unstable COc1cc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924329 KJ Annotated Unstable COC(=O)c1ccc(Oc2ccc3nc(Cc4cc(OC)c(OC)c(S(=O)(=O)Cl)c4)[nH]c3c2)cc1 ZINC000586924342 KJ Annotated Unstable COc1cc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924346 KJ Annotated Unstable COc1cc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924598 KJ Annotated Unstable COC(=O)c1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586924601 KJ Annotated Unstable COc1cc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924703 KJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 ZINC000586924845 KJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(Cc5cc(OC)c(OC)c(S(=O)(=O)Cl)c5)[nH]c4c3)o2)cc1 ZINC000586924866 KJ Annotated Unstable COc1ccc(-c2nnc(-c3ccc4nc(CCC(=O)c5ccc(S(C)(=O)=O)cc5)[nH]c4c3)o2)cc1 ZINC000586925002 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2c1 ZINC000586925030 KJ Annotated Unstable COc1cc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925042 KJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 ZINC000586925052 KJ Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1[N+](=O)[O-] ZINC000586925194 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)C4CCCC4)[nH]c3cc21 ZINC000586925307 KJ Annotated Anodyne COc1cc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925311 KJ Annotated Unstable CCCOc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586925348 KJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925388 KJ Annotated Bother O=C(O)c1cc2[nH]c(CS(=O)(=O)C3CCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586925402 KJ Annotated Bother COc1cc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925449 KJ Annotated Unstable COc1cc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925465 KJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 ZINC000586925546 KJ Annotated Anodyne COc1cc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925547 KJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 ZINC000586925576 KJ Annotated Anodyne COc1cc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925582 KJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586925591 KJ Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000586925602 KJ Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925691 KJ Annotated Bother COc1cc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925698 KJ Annotated Unstable COc1cc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925738 KJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cncc(Br)c3[nH]2)CC1 ZINC000586925786 KJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000586925815 KJ Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586925897 KJ Annotated Unstable COc1cc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925956 KJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926232 KJ Annotated Bother Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1Cl ZINC000586926460 KJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(C#N)cc(Cl)c3[nH]2)CC1 ZINC000586926524 KJ Annotated Mild O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586926557 KJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc(Br)c(O)c3[nH]2)CC1 ZINC000586926631 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926660 KJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586926774 KJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586926793 KJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926863 KJ Annotated Bother COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586927100 KJ Annotated Bother O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586927232 KJ Annotated Unstable CCOC(=O)Cc1ccc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000586927282 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc1-2 ZINC000586927342 KJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 ZINC000586927393 KJ Annotated Anodyne Cc1nc2[nH]c(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1Br ZINC000586927495 KJ Annotated Anodyne CCc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1S(=O)(=O)Cl ZINC000586927496 KJ Annotated Unstable CC(C)COc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br ZINC000586927655 KJ Annotated Bother CS(=O)(=O)c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927771 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc1-2 ZINC000586927816 KJ Annotated Unstable COc1ccc(-c2nnc(-c3ccc4nc(-c5cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c5)[nH]c4c3)o2)cc1 ZINC000586927897 KJ Annotated Bother CN(Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928571 KJ Annotated Mild CN(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928586 KJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000586928629 KJ Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000586928671 KJ Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586928685 KJ Annotated Anodyne COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586928803 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000586928871 KJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 ZINC000586928887 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000586928929 KJ Annotated Anodyne CN(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928940 KJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000586928966 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CN(C)S(=O)(=O)c5ccc(Cl)cc5)[nH]c4c3)o2)cc1 ZINC000586929055 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 ZINC000586929065 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000586929092 KJ Annotated Anodyne CN(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929110 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(C)S(=O)(=O)c4ccc(C#N)cc4)[nH]c3cc21 ZINC000586929124 KJ Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586929339 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000586929467 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586929929 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc(S(N)(=O)=O)cc4C)[nH]c3cc21 ZINC000586930149 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000586930172 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000586930210 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)nc2c1 ZINC000586930297 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000586930359 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586930979 KJ Annotated Anodyne CCc1ccc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586931685 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931728 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(I)cc3[nH]2)c(C)c1 ZINC000586931731 KJ Annotated Anodyne CC(=O)c1ccc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586931732 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc4ncccc4c3[nH]2)c(C)c1 ZINC000586931734 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(I)c3[nH]2)c(C)c1 ZINC000586931751 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(C)c(Br)cnc3[nH]2)c(C)c1 ZINC000586931753 KJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)nc2c1 ZINC000586931754 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)c1 ZINC000586931769 KJ Annotated Anodyne COc1cc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000586931774 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(Br)c(C)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931787 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931909 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Cl)cc(C)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931912 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(C)c(C)c3[nH]2)c(C)c1 ZINC000586931941 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931943 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C#N)cc(Br)c3[nH]2)c(C)c1 ZINC000586931949 KJ Annotated Mild Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(F)cnc(Br)c3[nH]2)c(C)c1 ZINC000586931959 KJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586931973 KJ Annotated Bother Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(C)c1 ZINC000586931989 KJ Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Cl)c(Cl)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932003 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C)c(C)cc3[nH]2)c(C)c1 ZINC000586932006 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc(S(=O)(=O)N(C)C)cc4)[nH]c3cc21 ZINC000586932019 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)c1 ZINC000586932021 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(F)c(F)c3[nH]2)c(C)c1 ZINC000586932044 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C)cc(C)c3[nH]2)c(C)c1 ZINC000586932055 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932067 KJ Annotated Anodyne COc1cc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2cc1Cl ZINC000586932073 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C)cc(Br)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932076 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)nc2c1 ZINC000586932078 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(C)cc3[nH]2)c(C)c1 ZINC000586932083 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C)cc(F)c3[nH]2)c(C)c1 ZINC000586932300 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(I)cnc(Cl)c3[nH]2)c(C)c1 ZINC000586932303 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)c1 ZINC000586932310 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(C)cnc(Cl)c3[nH]2)c(C)c1 ZINC000586932311 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932316 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932325 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(F)cc(F)c3[nH]2)c(C)c1 ZINC000586932333 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc4ccccc4cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932344 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932348 KJ Annotated Bother Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)c1 ZINC000586932376 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cnc4ccccc4c3[nH]2)c(C)c1 ZINC000586932381 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)c1 ZINC000586932423 KJ Annotated Bother Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Cl)cc3[nH]2)c(C)c1 ZINC000586932446 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(F)c(C)c3[nH]2)c(C)c1 ZINC000586932458 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C)c(Br)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932460 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Br)cc(C)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932469 KJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)C ZINC000586932498 KJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)C ZINC000586932500 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(N)ccnc3[nH]2)cc1 ZINC000586932557 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(N)ncc3[nH]2)cc1 ZINC000586932590 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932649 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932658 KJ Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncnc3[nH]2)cc1 ZINC000586932662 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932702 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(F)c(F)cc3[nH]2)c(C)c1 ZINC000586932711 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)c1 ZINC000586932734 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(Cl)c(C)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932745 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c(O)c3[nH]2)c(C)c1 ZINC000586932755 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586932769 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)c1 ZINC000586932777 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(C(F)(F)F)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932780 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Br)c(C)c(C)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932784 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932785 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3c4cccnc4c4ncccc4c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932789 KJ Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Cl)cc(Cl)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932804 KJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586932811 KJ Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C(C)C)cc1 ZINC000586932848 KJ Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C(C)C)cc1 ZINC000586932849 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586932930 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586932975 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cccc(C(F)(F)F)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932984 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586932995 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(C)nc3[nH]2)c(C)c1 ZINC000586933000 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586933025 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933077 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(F)c(F)c(F)c3[nH]2)c(C)c1 ZINC000586933088 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C#N)cc(Cl)c3[nH]2)c(C)c1 ZINC000586933091 KJ Annotated Mild Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)NC(=O)OC(C)(C)C)cc1 ZINC000586933117 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933124 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(F)cnc(Cl)c3[nH]2)c(C)c1 ZINC000586933134 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(Cl)c3[nH]2)c(C)c1 ZINC000586933144 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)c1 ZINC000586933165 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C)c(F)cc3[nH]2)c(C)c1 ZINC000586933168 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(C)ccc(C)c3[nH]2)c(C)c1 ZINC000586933186 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)c1 ZINC000586933187 KJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(C)c3[nH]2)c(C)c1 ZINC000586933193 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C)c(Cl)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933202 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586933238 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586933250 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(N)=O)cc3[nH]2)cc1 ZINC000586933289 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(N)c3[nH]2)cc1 ZINC000586933526 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnncc3[nH]2)cc1 ZINC000586933530 KJ Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000586933531 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586933551 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586933558 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586933591 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586933748 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000586933782 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(O)c3[nH]2)cc1 ZINC000586933791 KJ Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586933918 KJ Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586934009 KJ Annotated Anodyne COC(=O)c1cc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586934012 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4ccc(SC(F)(F)F)cc4[nH]3)cccc12 ZINC000586934059 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4ccc(SC(F)(F)F)cc4[nH]3)cccc12 ZINC000586934062 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cccc12 ZINC000586934188 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cccc12 ZINC000586934189 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cccc12 ZINC000586934236 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cccc12 ZINC000586934237 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cccc12 ZINC000586934274 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cccc12 ZINC000586934275 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cccc12 ZINC000586934294 KJ Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cccc12 ZINC000586934295 KJ Annotated Bother CC(C)CCOc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934358 KJ Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934359 KJ Annotated Anodyne CC(C)COc1cc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934376 KJ Annotated Anodyne CC(C)COc1cc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934377 KJ Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586934379 KJ Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586934380 KJ Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586934450 KJ Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586934451 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2c1 ZINC000586934466 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2c1 ZINC000586934468 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(I)cc2[nH]1 ZINC000586934514 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(I)cc2[nH]1 ZINC000586934515 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586934528 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cccc12 ZINC000586934531 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cccc12 ZINC000586934532 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586934534 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cccc12 ZINC000586934595 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cccc12 ZINC000586934601 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cccc12 ZINC000586934648 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cccc12 ZINC000586934659 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cccc12 ZINC000586934671 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cccc12 ZINC000586934673 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586934686 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586934692 KJ Annotated Anodyne CCCCOc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934750 KJ Annotated Anodyne CCCCOc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934753 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586934833 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586934839 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4c5ccccc5c5ccccc5c4[nH]3)cccc12 ZINC000586935029 KJ Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4c5ccccc5c5ccccc5c4[nH]3)cccc12 ZINC000586935033 KJ Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586935073 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586935079 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cccc12 ZINC000586935302 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cccc12 ZINC000586935309 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586935370 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586935371 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(I)c2[nH]1 ZINC000586935401 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(I)c2[nH]1 ZINC000586935403 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(S(=O)(=O)NC(C)C)c[nH]4)nc3cc21 ZINC000586935423 KJ Annotated Anodyne CCCCCCCCOc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586935512 KJ Annotated Mild CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)c1 ZINC000586935682 KJ Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586935714 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586935715 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586935877 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586935878 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cccc12 ZINC000586935907 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cccc12 ZINC000586935909 KJ Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586935952 KJ Annotated Bother CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586935956 KJ Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586936246 KJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586936251 KJ Annotated Anodyne CCCOc1cc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586936526 KJ Annotated Anodyne CCCOc1cc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586936528 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(Sc5ccccc5)cc4[nH]3)cccc12 ZINC000586936544 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(Sc5ccccc5)cc4[nH]3)cccc12 ZINC000586936553 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586936992 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586936997 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586937018 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c5cccc6c(N(C)C)cccc56)[nH]c4c3)o2)cc1 ZINC000586937021 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586937022 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CCCNC(=N)N)NS(=O)(=O)c5cccc6c(N(C)C)cccc56)[nH]c4c3)o2)cc1 ZINC000586937023 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2c1 ZINC000586937062 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2c1 ZINC000586937072 KJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586937127 KJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586937137 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cccc12 ZINC000586937270 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cccc12 ZINC000586937279 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586937420 KJ Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586937425 KJ Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586937515 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586937519 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586937561 KJ Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586937562 KJ Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586937713 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586937714 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cccc12 ZINC000586937797 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cccc12 ZINC000586937798 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4c(Br)ccc(Br)c4[nH]3)cccc12 ZINC000586937854 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4c(Br)ccc(Br)c4[nH]3)cccc12 ZINC000586937855 KJ Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586938060 KJ Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586938066 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CCSC)NS(=O)(=O)c4ccc(C)cc4C)[nH]c3c2)cc1 ZINC000586938129 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](CCSC)NS(=O)(=O)c4ccc(C)cc4C)[nH]c3c2)cc1 ZINC000586938131 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 ZINC000586938136 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 ZINC000586938140 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586938147 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586938155 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cccc12 ZINC000586938269 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cccc12 ZINC000586938271 KJ Annotated Anodyne CC(C)Oc1cc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586938297 KJ Annotated Anodyne CC(C)Oc1cc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586938301 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(Br)c(Br)cc4[nH]3)cccc12 ZINC000586938384 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(Br)c(Br)cc4[nH]3)cccc12 ZINC000586938385 KJ Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586938453 KJ Annotated Bother CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586938456 KJ Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586938461 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586938470 KJ Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586938514 KJ Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586938515 KJ Annotated Anodyne CCCCOc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586938536 KJ Annotated Anodyne CCCCOc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586938537 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cccc12 ZINC000586938727 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cccc12 ZINC000586938734 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586938775 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586938776 KJ Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586938975 KJ Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586938979 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586939101 KJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586939104 KJ Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586939128 KJ Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586939130 KJ Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586939206 KJ Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586939212 KJ Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586939215 KJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586939216 KJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586939231 KJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586939232 KJ Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586939650 KJ Annotated Reactive C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586939652 KJ Annotated Reactive Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586940119 KJ Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940608 KJ Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940889 KJ Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586940894 KJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586940895 KJ Annotated Anodyne CCCCOc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000586940912 KJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CNS(=O)(=O)/C=C/c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000586940943 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CNS(=O)(=O)/C=C\c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000586940944 KJ Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940960 KJ Annotated Bother COC(=O)c1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586940977 KJ Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940996 KJ Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586941777 KJ Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941850 KJ Annotated Bother O=S(=O)(NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)s1 ZINC000586941914 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCNS(=O)(=O)c5cc(Br)ccc5Br)[nH]c4c3)cc2)CC1 ZINC000586941950 KJ Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)s1 ZINC000586941969 KJ Annotated Anodyne O=S(=O)(NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)s1 ZINC000586942020 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942023 KJ Annotated Anodyne O=S(=O)(NCCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586942110 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586942128 KJ Annotated Anodyne Cc1cc(Br)cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586942144 KJ Annotated Anodyne Cc1cc(Cl)cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586942170 KJ Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Br)s1 ZINC000586942216 KJ Annotated Anodyne O=S(=O)(NCCc1nc2c(Br)cnc(Br)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942229 KJ Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)s1 ZINC000586942265 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cc(Br)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942364 KJ Annotated Anodyne Cc1c(Cl)ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586942367 KJ Annotated Anodyne CCCCOc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Br ZINC000586942372 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1cc(Br)ccc1Br ZINC000586942391 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cccc12 ZINC000586942542 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cccc12 ZINC000586942546 KJ Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Br)s1 ZINC000586942633 KJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942655 KJ Annotated Anodyne O=S(=O)(NCCc1nc2c(Br)ccc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942684 KJ Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586942690 KJ Annotated Anodyne O=S(=O)(NCCc1nc2ccc(F)c(Br)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942778 KJ Annotated Anodyne CCCOc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000586942779 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cccc(C(F)(F)F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942787 KJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586942844 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000586942928 KJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCNS(=O)(=O)c4cc(Br)ccc4Br)[nH]c3c2)cc1 ZINC000586943033 KJ Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc1-2 ZINC000586943039 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943044 KJ Annotated Anodyne Cc1c(Br)ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586943059 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586943068 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943097 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943120 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCNS(=O)(=O)c4ccc(Cl)nc4)[nH]c3cc21 ZINC000586943146 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CNS(=O)(=O)c5ccc(Br)s5)[nH]c4c3)o2)cc1 ZINC000586943171 KJ Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)c(F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943183 KJ Annotated Anodyne O=S(=O)(NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586943228 KJ Annotated Anodyne COC(=O)c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586943268 KJ Annotated Anodyne CC(C)COc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Br ZINC000586943287 KJ Annotated Anodyne Cc1cc(Br)c2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc2c1 ZINC000586943317 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943359 KJ Annotated Bother O=S(=O)(NCCc1nc2cc(Br)cc(F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943371 KJ Annotated Anodyne CC(C)Oc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000586943379 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943385 KJ Annotated Anodyne O=S(=O)(NCCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943394 KJ Annotated Anodyne O=S(=O)(NCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1cc(Br)ccc1Br ZINC000586943400 KJ Annotated Bother CC(C)(C)c1cccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586943410 KJ Annotated Anodyne Cc1c(Br)cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1C ZINC000586943423 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)c(Br)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943444 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cccc12 ZINC000586943448 KJ Annotated Bother CC(C)(C)c1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC000586943474 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc2c1 ZINC000586943476 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586943480 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)c(F)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943488 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943500 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586943508 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586943521 KJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943529 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cccc12 ZINC000586943562 KJ Annotated Mild O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 ZINC000586943599 KJ Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 ZINC000586943674 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc(Br)c(Cl)c4[nH]3)cc2)cc1 ZINC000586943707 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586943717 KJ Annotated Anodyne CC(C)COc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cc1Br ZINC000586943726 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000586943744 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000586943745 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586943748 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)CCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586943779 KJ Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cc1Br ZINC000586943798 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000586943801 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)cc1 ZINC000586943838 KJ Annotated Anodyne Nc1ncnc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c12 ZINC000586943863 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)cc1 ZINC000586943865 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)NCCCN5CCCC5=O)ccc4Cl)[nH]c3c2)cc1 ZINC000586943910 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586943956 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586943977 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586944013 KJ Annotated Anodyne N#Cc1nc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc-2[nH]c1C#N ZINC000586944019 KJ Annotated Mild O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586944069 KJ Annotated Anodyne Nc1nccc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944212 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)cc1 ZINC000586944229 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Br)cc(C#N)cc4[nH]3)cc2)cc1 ZINC000586944236 KJ Annotated Mild CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)cc1 ZINC000586944263 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)cc2)cc1 ZINC000586944266 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586944317 KJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cccc12 ZINC000586944323 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586944340 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586944358 KJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000586944359 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586944363 KJ Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1C ZINC000586944392 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)cc1 ZINC000586944411 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c12 ZINC000586944461 KJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)NCCCN5CCCC5=O)ccc4Cl)[nH]c3c2)cc1 ZINC000586944470 KJ Annotated Clean O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000586944492 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)cc1 ZINC000586944509 KJ Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944531 KJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(O)ncnc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944563 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586944635 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586944695 KJ Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000586944812 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)cc1 ZINC000586944824 KJ Annotated Bother CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2)cc1 ZINC000586944858 KJ Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(S(=O)(=O)NCCCN6CCCC6=O)ccc5Cl)[nH]c4c3)o2)cc1 ZINC000586944876 KJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(O)nncc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944917 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586944971 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586944973 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586944997 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586944998 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586945009 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586945010 KJ Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1Br ZINC000586945013 KJ Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1Br ZINC000586945014 KJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945111 KJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)cc1 ZINC000586945132 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5sccc5S(=O)(=O)NCc5cccs5)[nH]c4c3)cc2)CC1 ZINC000586945254 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc12 ZINC000586945314 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586945483 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586945484 KJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586945503 KJ Annotated Anodyne CCCCOc1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cc1Br ZINC000586945576 KJ Annotated Anodyne CCCCOc1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cc1Br ZINC000586945577 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586945609 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586945610 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)NC[C@@H]5CCCO5)ccc4C)[nH]c3c2)cc1 ZINC000586945630 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)NC[C@H]5CCCO5)ccc4C)[nH]c3c2)cc1 ZINC000586945631 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3c2)cc1 ZINC000586945661 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(CNS(C)(=O)=O)oc4C)[nH]c3cc21 ZINC000586945666 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 ZINC000586945679 KJ Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000586945760 KJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586945805 KJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586945820 KJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586945825 KJ Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586945831 KJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586945919 KJ Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000586945973 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586946227 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586946228 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586946242 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586946243 KJ Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586946274 KJ Annotated Bother O=C(O)c1cc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586946275 KJ Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586946338 KJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586946370 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586946564 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586946566 KJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c21 ZINC000586946570 KJ Annotated Clean Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586946596 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586946599 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586947164 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586947165 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586947211 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586947212 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586947229 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586947230 KJ Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)c1C ZINC000586947252 KJ Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586947466 KJ Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947701 KJ Annotated Anodyne COc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947725 KJ Annotated Anodyne COc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947726 KJ Annotated Anodyne COc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947729 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(NS(C)(=O)=O)ccc4O)[nH]c3cc21 ZINC000586947735 KJ Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586947801 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586947833 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1Cl ZINC000586947874 KJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586947888 KJ Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(OC)c(S(=O)(=O)Nc4ccc(Br)cc4)c3)[nH]c2c1 ZINC000586947940 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1 ZINC000586947988 KJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(I)cc2[nH]1 ZINC000586948009 KJ Annotated Bother COc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586948044 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586948046 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000586948053 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1Cl ZINC000586948109 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccccc4NS(C)(=O)=O)[nH]c3cc21 ZINC000586948144 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586948291 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586948309 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cncc(OC)c3[nH]2)ccc1Cl ZINC000586948314 KJ Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2cn1 ZINC000586948328 KJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586948343 KJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586948347 KJ Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586948360 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586948378 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586948398 KJ Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(-c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(OCC)cc3)[nH]c2c1 ZINC000586948430 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586948535 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1Cl ZINC000586948729 KJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)nc12 ZINC000586948743 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586948778 KJ Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586948796 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1Cl ZINC000586948807 KJ Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586948815 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1Cl ZINC000586948828 KJ Annotated Anodyne COc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2n1 ZINC000586948833 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1 ZINC000586948869 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586948875 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586948908 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(CCO)cc3[nH]2)ccc1Cl ZINC000586948988 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000586948996 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586949048 KJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586949145 KJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(I)c2[nH]1 ZINC000586949165 KJ Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586949245 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586949280 KJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(OCC)cc3)[nH]c2c1 ZINC000586949294 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586949313 KJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2n1 ZINC000586949357 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000586949406 KJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586949462 KJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586949478 KJ Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000586949697 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccnc(O)c3[nH]2)ccc1Cl ZINC000586949707 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccnc(OC)c3[nH]2)ccc1Cl ZINC000586949711 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586949724 KJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(CO)cc3[nH]2)ccc1Cl ZINC000586949734 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586949756 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000586949763 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586949788 KJ Annotated Anodyne N#Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1C(F)(F)F ZINC000586949829 KJ Annotated Mild Nc1ccc(-c2ccc3nc(-c4ccccc4NS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3c2)cc1N ZINC000586949928 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949956 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949962 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586949995 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950075 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950076 KJ Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000586950098 KJ Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c21 ZINC000586950149 KJ Annotated Clean O=S(=O)(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950151 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc1-2 ZINC000586950170 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950182 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)cnc5[nH]4)c3c2)cc1 ZINC000586950227 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)ncc5[nH]4)c3c2)cc1 ZINC000586950247 KJ Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586950263 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950266 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950430 KJ Annotated Anodyne Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586950432 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950437 KJ Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950519 KJ Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950549 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccnc(Br)c5[nH]4)c3c2)cc1 ZINC000586950551 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950603 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(Br)ccnc5[nH]4)c3c2)cc1 ZINC000586950691 KJ Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586950830 KJ Annotated Anodyne O=S(=O)(Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951579 KJ Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586951610 KJ Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586951639 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc(NS(C)(=O)=O)nc4C)[nH]c3cc21 ZINC000586951681 KJ Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586951686 KJ Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586951690 KJ Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586951731 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc(Br)c4[nH]3)c2)cc1 ZINC000586951803 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc(Br)c4[nH]3)c2)cc1 ZINC000586951804 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(F)cnc(Cl)c5[nH]4)c3c2)cc1 ZINC000586951840 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 ZINC000586951880 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 ZINC000586951882 KJ Annotated Anodyne N#Cc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cc1C#N ZINC000586951924 KJ Annotated Mild O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586951928 KJ Annotated Anodyne Cc1cnc2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586951937 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951939 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586951962 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586952035 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586952039 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(F)cnc(Br)c5[nH]4)c3c2)cc1 ZINC000586952042 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Cl)cc4[nH]3)c2)cc1 ZINC000586952048 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Cl)cc4[nH]3)c2)cc1 ZINC000586952050 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586952058 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586952059 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc([N+](=O)[O-])c5[nH]4)c3c2)cc1 ZINC000586952060 KJ Annotated Bother CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OC)cc(OC)c5[nH]4)c3c2)cc1 ZINC000586952065 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586952067 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C)c(Cl)cc4[nH]3)c2)cc1 ZINC000586952070 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C)c(Cl)cc4[nH]3)c2)cc1 ZINC000586952074 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc([N+](=O)[O-])c(C)cc5[nH]4)c3c2)cc1 ZINC000586952099 KJ Annotated Bother CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5[nH]c(O)nc(NCc6ccccc6)c-5n4)c3c2)cc1 ZINC000586952103 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(F)cc(Br)c4[nH]3)c2)cc1 ZINC000586952159 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(F)cc(Br)c4[nH]3)c2)cc1 ZINC000586952164 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586952245 KJ Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CC1 ZINC000586952280 KJ Annotated Anodyne Cc1nccc2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc12 ZINC000586952348 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586952398 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586952408 KJ Annotated Anodyne Cc1ccnc2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc12 ZINC000586952448 KJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(Br)ncc(F)c5[nH]4)[nH]c23)cc1 ZINC000586952449 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)NC4CCC(C)CC4)[nH]c3cc21 ZINC000586952462 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Br)c(C)c4[nH]3)c2)cc1 ZINC000586952474 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Br)c(C)c4[nH]3)c2)cc1 ZINC000586952480 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(S(=O)(=O)C(F)(F)F)cc5[nH]4)c3c2)cc1 ZINC000586952491 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586952498 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586952502 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586952504 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586952505 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586952515 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 ZINC000586952521 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 ZINC000586952524 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc6c(cc5[nH]4)OCCCO6)c3c2)cc1 ZINC000586952555 KJ Annotated Anodyne CCCOc1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586952590 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)cc(C)c4[nH]3)c2)cc1 ZINC000586952595 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)cc(C)c4[nH]3)c2)cc1 ZINC000586952596 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 ZINC000586952638 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 ZINC000586952639 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 ZINC000586952642 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 ZINC000586952643 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc5nc(C)ccc5c4[nH]3)c2)cc1 ZINC000586952647 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc5nc(C)ccc5c4[nH]3)c2)cc1 ZINC000586952648 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586952681 KJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(F)c(-n6cccn6)cc5[nH]4)[nH]c23)cc1 ZINC000586952704 KJ Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586952733 KJ Annotated Anodyne COC(=O)c1cccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586952735 KJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5ncc(Br)c(C)c5[nH]4)[nH]c23)cc1 ZINC000586952784 KJ Annotated Anodyne COc1nccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586952871 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586952873 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952877 KJ Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952882 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cc1 ZINC000586952886 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cc1 ZINC000586952894 KJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc34)[nH]c2c1 ZINC000586952962 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1 ZINC000586952966 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1 ZINC000586952968 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc(Cl)c4[nH]3)c2)cc1 ZINC000586952970 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc(Cl)c4[nH]3)c2)cc1 ZINC000586952971 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(OC)c(Cl)cc4[nH]3)c2)cc1 ZINC000586952987 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(OC)c(Cl)cc4[nH]3)c2)cc1 ZINC000586952989 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586952990 KJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586952992 KJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c2)cc1 ZINC000586953002 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c2)cc1 ZINC000586953003 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc34)[nH]c2c1 ZINC000586953005 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586953025 KJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586953028 KJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Br)c(F)c4[nH]3)c2)cc1 ZINC000586953030 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Br)c(F)c4[nH]3)c2)cc1 ZINC000586953033 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)cc1 ZINC000586953048 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)cc1 ZINC000586953051 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4c(Cl)c(Br)cnc4[nH]3)c2)cc1 ZINC000586953098 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4c(Cl)c(Br)cnc4[nH]3)c2)cc1 ZINC000586953099 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586953226 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586953282 KJ Annotated Bother COc1cncc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586953348 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953361 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953377 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586953386 KJ Annotated Anodyne COc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586953389 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586953427 KJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586953431 KJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(SC)cc4[nH]3)c2)cc1 ZINC000586953455 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(SC)cc4[nH]3)c2)cc1 ZINC000586953457 KJ Annotated Anodyne C=CCc1cccc2nc(/C=C/C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c12 ZINC000586953464 KJ Annotated Mild C=CCc1cccc2nc(/C=C\C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c12 ZINC000586953465 KJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586953489 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586953490 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cc1 ZINC000586953497 KJ Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cc1 ZINC000586953498 KJ Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)cc1 ZINC000586953503 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)cc1 ZINC000586953504 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)cc(F)c4[nH]3)c2)cc1 ZINC000586953508 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)cc(F)c4[nH]3)c2)cc1 ZINC000586953509 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C)c(Br)cc4[nH]3)c2)cc1 ZINC000586953517 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C)c(Br)cc4[nH]3)c2)cc1 ZINC000586953518 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)c(F)cc4[nH]3)c2)cc1 ZINC000586953532 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)c(F)cc4[nH]3)c2)cc1 ZINC000586953533 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)c2)cc1 ZINC000586953536 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)c2)cc1 ZINC000586953537 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)c3c2)cc1 ZINC000586953548 KJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(OC(C)C)cc4[nH]3)c2)cc1 ZINC000586953549 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(OC(C)C)cc4[nH]3)c2)cc1 ZINC000586953550 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)cc1 ZINC000586953551 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)cc1 ZINC000586953552 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 ZINC000586953557 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586953558 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953563 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953571 KJ Annotated Anodyne Cc1ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586953581 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586953586 KJ Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000586953590 KJ Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586953607 KJ Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586953627 KJ Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586953629 KJ Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnccc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953655 KJ Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000586953713 KJ Annotated Bother COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5nc(C)c(Br)cc5[nH]4)[nH]c23)cc1 ZINC000586953716 KJ Annotated Anodyne N#Cc1cccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586953748 KJ Annotated Mild COc1ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586953776 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 ZINC000586953836 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)cc(C)c4[nH]3)c2)cc1 ZINC000586953842 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)cc(C)c4[nH]3)c2)cc1 ZINC000586953843 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586953844 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586953849 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(CN6CCOCC6)cc5[nH]4)c3c2)cc1 ZINC000586953868 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 ZINC000586953874 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 ZINC000586953875 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)c(F)cc4[nH]3)c2)cc1 ZINC000586953895 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)c(F)cc4[nH]3)c2)cc1 ZINC000586953896 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)nc2c1 ZINC000586953916 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)nc2c1 ZINC000586953917 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(OCCN(C)C)cc5[nH]4)c3c2)cc1 ZINC000586954161 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(F)c(Br)c4[nH]3)c2)cc1 ZINC000586954171 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(F)c(Br)c4[nH]3)c2)cc1 ZINC000586954172 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C)cc(Br)c4[nH]3)c2)cc1 ZINC000586954180 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C)cc(Br)c4[nH]3)c2)cc1 ZINC000586954181 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000586954193 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000586954194 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)CC2)cc1 ZINC000586954246 KJ Annotated Anodyne CCCCCCCCOc1cc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c2cc1Br ZINC000586954249 KJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Cl)c(C)c4[nH]3)c2)cc1 ZINC000586954297 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Cl)c(C)c4[nH]3)c2)cc1 ZINC000586954300 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4c(Br)cnc(Br)c4[nH]3)c2)cc1 ZINC000586954309 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4c(Br)cnc(Br)c4[nH]3)c2)cc1 ZINC000586954318 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Br)cc4[nH]3)c2)cc1 ZINC000586954367 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Br)cc4[nH]3)c2)cc1 ZINC000586954369 KJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc6cn[nH]c6cc5[nH]4)c3c2)cc1 ZINC000586954388 KJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CC2)cc1 ZINC000586954430 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586954514 KJ Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cccc(I)c3[nH]2)CC1 ZINC000586954579 KJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586954582 KJ Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000586954665 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586954684 KJ Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(I)cc3[nH]2)CC1 ZINC000586954729 KJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(I)cnc(Cl)c4[nH]3)CC2)cc1 ZINC000586954836 KJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000586954968 KJ Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC2)CC1 ZINC000586954975 KJ Annotated Reactive O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1)N1CCC1 ZINC000586955042 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000586955043 KJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586955101 KJ Annotated Bother CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(I)c4[nH]3)CC2)cc1 ZINC000586955145 KJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000586955190 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4N)CCN(S(C)(=O)=O)C5)[nH]c3cc21 ZINC000586955217 KJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(I)cc4[nH]3)CC2)cc1 ZINC000586955239 KJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586955466 KJ Annotated Bother O=S(=O)(c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1)N1CCC1 ZINC000586955475 KJ Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1)N1CCC1 ZINC000586955553 KJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000586955772 KJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1 ZINC000586955832 KJ Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1)N1CCC1 ZINC000586956065 KJ Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1)N1CCC1 ZINC000586956193 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586956234 KJ Annotated Clean O=S(=O)(c1cc(-c2nc3cc(I)cnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956243 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)nc2c1 ZINC000586956317 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586956336 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586956359 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586956388 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586956399 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586956443 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(I)c2[nH]1 ZINC000586956457 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586956480 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586956622 KJ Annotated Mild COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586956624 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586956630 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586956650 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586956668 KJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)nc2c1 ZINC000586956723 KJ Annotated Anodyne COc1ccc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956780 KJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Cl)N1CCc2ccccc21 ZINC000586956850 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2c1 ZINC000586956854 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586956859 KJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956862 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000586956864 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586956867 KJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586956915 KJ Annotated Bother COc1ccc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000586957218 KJ Annotated Anodyne COc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957227 KJ Annotated Reactive O=S(=O)(c1ccc2nc(O)cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1)N1CCOCC1 ZINC000586957437 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCC[S@](=O)c3ccc(Br)cc3)nc1-2 ZINC000586957630 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCC[S@@](=O)c3ccc(Br)cc3)nc1-2 ZINC000586957631 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586957847 KJ Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(I)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958073 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(I)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958078 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(I)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958081 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(I)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958083 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586958166 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586958169 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586958171 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586958174 KJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586958253 KJ Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586958257 KJ Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586958259 KJ Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586958261 KJ Annotated Bother Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586958295 KJ Annotated Mild COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586958559 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586958563 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586958565 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586958567 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2c1)N1CCOCC1 ZINC000586958593 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958669 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958672 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958674 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958676 KJ Annotated Anodyne CCCCOc1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586958703 KJ Annotated Mild O=C(O)c1cc2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586958758 KJ Annotated Bother CC(C)(SCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)O ZINC000586958883 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586959085 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586959086 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586959279 KJ Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586959434 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2c1)N1CCOCC1 ZINC000586959934 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586959983 KJ Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2c1)N1CCOCC1 ZINC000586960035 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586960153 KJ Annotated Mild O=[S@](CCCc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586960283 KJ Annotated Anodyne O=[S@@](CCCc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586960285 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586960348 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586960351 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COCCOCCOS(=O)(=O)c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000586960414 KJ Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586960467 KJ Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[S@@](=O)CC4CC4)[nH]c3cc21 ZINC000586960539 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[S@](=O)CC4CC4)[nH]c3cc21 ZINC000586960549 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(O)nc5ccc(S(=O)(=O)N6CCOCC6)cc45)[nH]c3cc21 ZINC000586960588 KJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586960659 KJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586960660 KJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586960664 KJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586960665 KJ Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586960757 KJ Annotated Bother O=[S@](CCCc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586961027 KJ Annotated Anodyne O=[S@@](CCCc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586961040 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586961447 KJ Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586961520 KJ Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961618 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961620 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961622 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961623 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586961648 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586961649 KJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961871 KJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961874 KJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961875 KJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961876 KJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586961887 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586961890 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(I)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962192 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(I)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962193 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(I)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962194 KJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(I)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962195 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Sc4nc(N)cc(O)n4)[nH]c3cc21 ZINC000586962600 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Sc4nc(N)cc(O)n4)[nH]c3cc21 ZINC000586962601 KJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(I)cc3[nH]2)ccc1Cl ZINC000586962794 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2c1 ZINC000586962945 KJ Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586963037 KJ Annotated Bother C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586963038 KJ Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586963092 KJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000586963158 KJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)ccc1Cl ZINC000586963209 KJ Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586963444 KJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1Cl ZINC000586963510 KJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(I)c3[nH]2)ccc1Cl ZINC000586963532 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(Cl)c(NC(=O)CSc5nccn5C)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586963533 KJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Cl ZINC000586963711 KJ Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586963889 KJ Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586963890 KJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586963956 KJ Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586964051 KJ Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586964052 KJ Annotated Anodyne N#Cc1ccccc1SCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586964358 KJ Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586964361 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586964378 KJ Annotated Anodyne CCCCOc1cc2nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c2cc1Br ZINC000586964484 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586964533 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586964545 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586964585 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586964707 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586964719 KJ Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964817 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586964965 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586965129 KJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)n2C)cc1 ZINC000586965237 KJ Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965313 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nnc(-c5ccc(C)cc5)n4C)[nH]c3c2)cc1 ZINC000586965337 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000586965360 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586965460 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586965499 KJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000586965546 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1 ZINC000586965958 KJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)n2C)cc1 ZINC000586965995 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586966414 KJ Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586966432 KJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)n1 ZINC000586966585 KJ Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000586967301 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)cnc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586968016 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)cnc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968017 KJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)cnc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968018 KJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@@H](C)O1 ZINC000586968049 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@@H](C)O1 ZINC000586968050 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@H](C)O1 ZINC000586968051 KJ Annotated Anodyne CC1=C(c2ccc3nc(CSc4c(C=O)c(C)nn4Cc4ccc(Cl)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586968095 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)C[C@@H](C)O1 ZINC000586968170 KJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)C[C@@H](C)O1 ZINC000586968173 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)C[C@H](C)O1 ZINC000586968175 KJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(I)cnc3[nH]2)c1C=O ZINC000586968198 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(O)c3[nH]2)C[C@@H](C)O1 ZINC000586968497 KJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(O)c3[nH]2)C[C@@H](C)O1 ZINC000586968498 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(O)c3[nH]2)C[C@H](C)O1 ZINC000586968500 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000586968670 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c1 ZINC000586968675 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000586968680 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586968726 KJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1Cl ZINC000586968837 KJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1C=O ZINC000586968901 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586968929 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@H](C)O1 ZINC000586969068 KJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586969070 KJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586969072 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4cccc[n+]4[O-])[nH]c3cc21 ZINC000586969369 KJ Annotated Anodyne O=C(O)c1cc2[nH]c(CSc3cccc[n+]3[O-])nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586969732 KJ Annotated Bother Cc1ccc(NC(=O)CSCCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000586970115 KJ Annotated Anodyne Cc1ccc(CSCCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000586971877 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CBr)[nH]c3cc21 ZINC000586972291 KJ Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586972710 KJ Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586972714 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c1 ZINC000586973334 KJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c1 ZINC000586973355 KJ Annotated Mild N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586974128 KJ Annotated Bother N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586974187 KJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)c(Br)cc3[nH]2)cc1OC ZINC000586975291 KJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)c(Br)cc3[nH]2)cc1OC ZINC000586975292 KJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1OC ZINC000586976041 KJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1OC ZINC000586976044 KJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(Br)ccc(Br)c3[nH]2)cc1OC ZINC000586976136 KJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(Br)ccc(Br)c3[nH]2)cc1OC ZINC000586976140 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586976625 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586976879 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586976919 KJ Annotated Anodyne Oc1nc(O)c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586977007 KJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1OC ZINC000586977090 KJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1OC ZINC000586977092 KJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 ZINC000586977306 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)Cc4cc(Br)c(O)c(Br)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586977344 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586977401 KJ Annotated Anodyne Nc1nc(O)c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586977500 KJ Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](N)Cc4cc(Br)c(O)c(Br)c4)[nH]c3c2)cc1N ZINC000586977752 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586977763 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3cc(Br)c(OC)c(OCC)c3)[nH]c2c1 ZINC000586977780 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3cc(Br)c(OC)c(OCC)c3)[nH]c2c1 ZINC000586977781 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(I)cc2[nH]1 ZINC000586977782 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586978039 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586978063 KJ Annotated Bother N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586978118 KJ Annotated Anodyne Cc1cc(Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)ccc1Br ZINC000586978124 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc1-2 ZINC000586978212 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586978224 KJ Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1C(F)(F)F ZINC000586978321 KJ Annotated Mild Cc1nc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2cc1Br ZINC000586978364 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586978367 KJ Annotated Clean N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586978400 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586978418 KJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc(Br)c1OC ZINC000586978449 KJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc(Br)c1OC ZINC000586978450 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)Cc4cc(Br)c(O)c(Br)c4)[nH]c3c2)cc1 ZINC000586978491 KJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(I)c2[nH]1 ZINC000586978535 KJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(I)cnc3[nH]2)cc(Br)c1OC ZINC000586978543 KJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(I)cnc3[nH]2)cc(Br)c1OC ZINC000586978544 KJ Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1Br ZINC000586979037 KJ Annotated Anodyne Cc1ncc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)c1Br ZINC000586979159 KJ Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586979390 KJ Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccnc(Cl)c4Br)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586979523 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3c(C=O)cc(Br)cc3OC)nc2c1 ZINC000586979619 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COc4c(C=O)cc(Br)cc4OC)[nH]c3c2)cc1 ZINC000586979815 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccnc(Cl)c3Br)nc1-2 ZINC000586979860 KJ Annotated Anodyne Cc1c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979974 KJ Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586980058 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 ZINC000586980139 KJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586980151 KJ Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586980594 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Br)cc(C=O)c3)nc1-2 ZINC000586981791 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccc(Br)cc3)NC(C)=O)nc2c1 ZINC000586984104 KJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586984654 KJ Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586984878 KJ Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586984881 KJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)c1ccc(Br)cc1 ZINC000586985311 KJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)c1ccc(Br)cc1 ZINC000586985319 KJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586985520 KJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586985521 KJ Annotated Anodyne O=C1c2ccccc2-c2c(CCN3C(=O)c4ccccc4C3=O)c(CBr)nc3ccc(O)c1c23 ZINC000586985632 KJ Annotated Reactive CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586985656 KJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCN(C(=O)CCl)CC4)c(F)c3)nc3ccc(O)c1c23 ZINC000586985992 KJ Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H](NC(C)=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586986040 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](NC(C)=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586986041 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586986056 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586986057 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 ZINC000586986309 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 ZINC000586986310 KJ Annotated Anodyne CC(=O)N1CCN(Cc2cc(Cl)cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2O)CC1 ZINC000586986807 KJ Annotated Clean CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987023 KJ Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(I)cc1 ZINC000586987270 KJ Annotated Anodyne CCOC(=O)C1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000586987418 KJ Annotated Anodyne CCCCCCc1nc2ccc(O)c3c2c(c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)-c1ccccc1C3=O ZINC000586987724 KJ Annotated Anodyne CC(C)c1ccc([C@@H]2[C@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000586987756 KJ Annotated Anodyne CC(C)c1ccc([C@H]2[C@@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000586987757 KJ Annotated Anodyne CC(C)c1ccc([C@@H]2[C@@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000586987758 KJ Annotated Anodyne CC(C)c1ccc([C@H]2[C@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000586987759 KJ Annotated Anodyne COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989940 KJ Annotated Clean COC1=CC[C@@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989941 KJ Annotated Clean COC1=CC[C@@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989942 KJ Annotated Clean COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989943 KJ Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)nc3ccc(O)c1c23 ZINC000586990440 KJ Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C(=O)[C@@]12C ZINC000586990487 KJ Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C(=O)[C@]12C ZINC000586990492 KJ Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C(=O)[C@]12C ZINC000586990494 KJ Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C(=O)[C@@]12C ZINC000586990497 KJ Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCO4)nc3ccc(O)c1c23 ZINC000586990668 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@H]2O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000586991000 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@H]2O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000586991002 KJ Annotated Anodyne C[C@@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H]12 ZINC000586991003 KJ Annotated Anodyne C[C@@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H]12 ZINC000586991004 KJ Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@]2(O)[C@H](O)CO ZINC000586991064 KJ Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c(Cl)c1 ZINC000586993035 KJ Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c(Cl)c1 ZINC000586993048 KJ Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(C[C@H](CCc3ccccc3)O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)nc3ccc(O)c1c23 ZINC000586993904 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993943 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993945 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994583 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994584 KJ Annotated Anodyne COc1cc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1C ZINC000586994810 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCNc3ccc(Br)cc3)nc1-2 ZINC000586994820 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(C)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994821 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994828 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C)c(F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994931 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994999 KJ Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(I)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995023 KJ Annotated Anodyne CCc1ccc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2c1 ZINC000586995025 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995035 KJ Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H](Cc4ccc(Br)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586995036 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(C)ccc(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995155 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995168 KJ Annotated Bother Nc1nc(O)c2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586995292 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)nc2c1 ZINC000586995389 KJ Annotated Anodyne COc1cc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Cl ZINC000586995411 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995483 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995502 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995610 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586995703 KJ Annotated Bother CN(C)C(=O)c1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586995836 KJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)nc2c1 ZINC000586995883 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586995913 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C#N)cc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995987 KJ Annotated Mild COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(C)c(Br)cnc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996020 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)c(C)nc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996024 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996389 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996392 KJ Annotated Mild COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996428 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996448 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996467 KJ Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996508 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996561 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996571 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCNc4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586996703 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C)c(C)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996768 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C)cc(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996785 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996822 KJ Annotated Anodyne Cc1ccc2c3c(cc([C@]4(O)Cc5c(O)c6c(c(O)c5[C@@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4)C(=O)c4ccccc4C6=O)nc13)-c1ccccc1C2=O ZINC000586996892 KJ Annotated Clean COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(C)c(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997137 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(I)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997228 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(C)cnc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997331 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(F)c(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997393 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCNc4ccc(Br)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586997408 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997446 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997483 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C)cc(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997504 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(C(C)=O)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997545 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997583 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997586 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997616 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586997627 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2nc(Br)c[nH]c-2n1 ZINC000586997876 KJ Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2cc1OC ZINC000586997880 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586997900 KJ Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000586997963 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586997984 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586997992 KJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586998081 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998583 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998615 KJ Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc4ncccc4c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998796 KJ Annotated Anodyne O=C(c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586999129 KJ Annotated Anodyne O=C(c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586999130 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cnc4ccccc4c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586999197 KJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C(=O)O)cc(Br)cc4[nH]3)cc2cc1Br ZINC000586999198 KJ Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(C(C)(C)C)nc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586999237 KJ Annotated Anodyne Clc1ncc(I)c2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999242 KJ Annotated Anodyne Clc1ncc(I)c2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999243 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1)N1CCOCC1 ZINC000586999301 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1)N1CCOCC1 ZINC000586999321 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1)N1CCOCC1 ZINC000586999322 KJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2cc1Br ZINC000586999390 KJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586999467 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 ZINC000586999510 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000586999619 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cc5cc(Br)c(O)cc5oc4=O)nc3c2)cc1 ZINC000586999803 KJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000586999928 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587000075 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587000079 KJ Annotated Anodyne CCCOc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587000221 KJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587000227 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc1-2 ZINC000587000248 KJ Annotated Anodyne CC(C)Oc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587000272 KJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)n1 ZINC000587000294 KJ Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587000409 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1 ZINC000587000496 KJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587000519 KJ Annotated Anodyne Clc1ncc(I)c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000707 KJ Annotated Anodyne Clc1ncc(I)c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000713 KJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587000920 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(OCC)cc4oc3=O)nc2c1 ZINC000587001110 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 ZINC000587001230 KJ Annotated Anodyne COC(=O)c1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587001333 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000587001391 KJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587001410 KJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587001428 KJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587001446 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCn3ncc4cc(Br)ccc43)nc1-2 ZINC000587001590 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Br)ccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587001997 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587002123 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc1-2 ZINC000587002340 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc1-2 ZINC000587002343 KJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587002392 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)cc1 ZINC000587002454 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)cc1 ZINC000587002455 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3c2)cc1 ZINC000587002887 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587002977 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587002980 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587003053 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587003054 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3c2)cc1 ZINC000587003434 KJ Annotated Anodyne O=C1C[C@@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003874 KJ Annotated Anodyne O=C1C[C@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003876 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003893 KJ Annotated Anodyne Clc1ncc(I)c2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587003929 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587004020 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587004027 KJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587004138 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccnc4[nH]cc(Br)c34)nc1-2 ZINC000587004507 KJ Annotated Anodyne O=C1C[C@@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004823 KJ Annotated Anodyne O=C1C[C@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004825 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4nc(Br)ccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587005215 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccnc(Br)c3Cl)nc1-2 ZINC000587005248 KJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587005950 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cnn6cccc(Br)c56)[nH]c4c3)cc2)CC1 ZINC000587006047 KJ Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587006094 KJ Annotated Anodyne O=c1c(-c2nc3c(I)cccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006159 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cc(Br)cn(Cc5ccccc5)c4=O)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587006193 KJ Annotated Anodyne O=c1c(-c2nc3c(Cl)ncc(I)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006247 KJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc21 ZINC000587006258 KJ Annotated Clean COC(=O)c1cc(Br)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1 ZINC000587006339 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc4[nH]nc(Br)c4c3)nc1-2 ZINC000587006540 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccnc(Br)c4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587006566 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587006731 KJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1)c1ccc(Br)o1 ZINC000587006746 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587006760 KJ Annotated Anodyne O=c1c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007069 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cnn4cccc(Br)c34)nc1-2 ZINC000587007465 KJ Annotated Anodyne O=c1c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007483 KJ Annotated Bother O=C(Nc1ccc(Cc2nc3cc(I)cnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007694 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(Br)o3)[nH]c12 ZINC000587008198 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587008301 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587008622 KJ Annotated Anodyne CC1=C(c2ccc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587008802 KJ Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009629 KJ Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009630 KJ Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009631 KJ Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009633 KJ Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1OC ZINC000587009699 KJ Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1OC ZINC000587009700 KJ Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1OC ZINC000587009701 KJ Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1OC ZINC000587009702 KJ Annotated Anodyne COC(=O)c1cccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009928 KJ Annotated Anodyne COC(=O)c1cccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009930 KJ Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009931 KJ Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009932 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C)(C)NC(=O)CCl)[nH]c3cc21 ZINC000587009956 KJ Annotated Reactive N[C@H](N=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010056 KJ Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010057 KJ Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010058 KJ Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010059 KJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010255 KJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010256 KJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010257 KJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010258 KJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3nc(Br)c[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010403 KJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3nc(Br)c[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010404 KJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3nc(Br)c[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010405 KJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3nc(Br)c[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010406 KJ Annotated Anodyne O=C(O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010473 KJ Annotated Anodyne O=C(O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010474 KJ Annotated Anodyne O=C(O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010475 KJ Annotated Anodyne O=C(O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010477 KJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010576 KJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010578 KJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010580 KJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010581 KJ Annotated Anodyne N#Cc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C#N ZINC000587010909 KJ Annotated Mild N#Cc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C#N ZINC000587010912 KJ Annotated Mild N#Cc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C#N ZINC000587010913 KJ Annotated Mild N#Cc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C#N ZINC000587010914 KJ Annotated Mild CC1=C(c2ccc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)NNC(=O)C1 ZINC000587011018 KJ Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)NNC(=O)C1 ZINC000587011019 KJ Annotated Anodyne CC1=C(c2ccc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)NNC(=O)C1 ZINC000587011020 KJ Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)NNC(=O)C1 ZINC000587011021 KJ Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)nc3cc2N1 ZINC000587011389 KJ Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)nc3cc2N1 ZINC000587011392 KJ Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)nc3cc2N1 ZINC000587011393 KJ Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)nc3cc2N1 ZINC000587011395 KJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011411 KJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011413 KJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011414 KJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011415 KJ Annotated Anodyne O=C(O)c1cccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011534 KJ Annotated Anodyne O=C(O)c1cccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011536 KJ Annotated Anodyne O=C(O)c1cccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011538 KJ Annotated Anodyne O=C(O)c1cccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011541 KJ Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)CC1 ZINC000587011710 KJ Annotated Anodyne CN1CCN(c2ccc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)CC1 ZINC000587011712 KJ Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)CC1 ZINC000587011713 KJ Annotated Anodyne CN1CCN(c2ccc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)CC1 ZINC000587011714 KJ Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587011813 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012031 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012034 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012035 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012036 KJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012037 KJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012039 KJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012041 KJ Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587012062 KJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012185 KJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(S)nc(S)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012212 KJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(S)nc(S)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012220 KJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(S)nc(S)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012224 KJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(S)nc(S)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012229 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1OC ZINC000587012231 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1OC ZINC000587012233 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1OC ZINC000587012235 KJ Annotated Anodyne COC(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1OC ZINC000587012238 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4nc(Br)sc4C4CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587012268 KJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(CCO)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012383 KJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(CCO)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012385 KJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(CCO)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012388 KJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(CCO)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012390 KJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cs1 ZINC000587013821 KJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587013866 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc(CNC(=O)OC(C)(C)C)n4)[nH]c3c2)cc1 ZINC000587014480 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5csc(CNC(=O)OC(C)(C)C)n5)[nH]c4c3)cc2)CC1 ZINC000587014583 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587014620 KJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cs2)cc1 ZINC000587014673 KJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014713 KJ Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)s1 ZINC000587015174 KJ Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)s1 ZINC000587015175 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587016627 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(O)n4)[nH]c3cc21 ZINC000587016663 KJ Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)cs2)o1 ZINC000587016818 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587017317 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5csc([C@H]6CCCO6)n5)[nH]c4c3)cc2)CC1 ZINC000587017568 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5csc([C@@H]6CCCO6)n5)[nH]c4c3)cc2)CC1 ZINC000587017573 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2)cc1 ZINC000587017630 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587018104 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587018208 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3csc(-c4ccco4)n3)nc1-2 ZINC000587018297 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(Cc5csc(-c6ccco6)n5)[nH]c4c3)cc2)CC1 ZINC000587018300 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc1-2 ZINC000587018468 KJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cs1 ZINC000587018946 KJ Annotated Anodyne Brc1cnc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 ZINC000587018991 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587019127 KJ Annotated Anodyne Clc1ncc(I)c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587019205 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(Cc5csc(NC(=O)c6cccs6)n5)[nH]c4c3)cc2)CC1 ZINC000587019399 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3csc(NC(=O)c4cccs4)n3)nc1-2 ZINC000587019503 KJ Annotated Anodyne O=C(Nc1nc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cs1)c1cccs1 ZINC000587019514 KJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cs1 ZINC000587019829 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2c1 ZINC000587020077 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4csc(NC(=O)OC(C)(C)C)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587020313 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4csc(NC(=O)OC(C)(C)C)n4)[nH]c3c2)cc1 ZINC000587020327 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587020425 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(Cc5csc(NC(=O)OC(C)(C)C)n5)[nH]c4c3)cc2)CC1 ZINC000587020459 KJ Annotated Anodyne Nc1nc(-c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)cs1 ZINC000587020496 KJ Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cs1 ZINC000587020773 KJ Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cs1 ZINC000587021198 KJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)s2)cn1 ZINC000587021334 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(C#N)s4)[nH]c3cc21 ZINC000587021643 KJ Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587022182 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ncc(NC(=O)OC(C)(C)C)s4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587023391 KJ Annotated Anodyne O=C(CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023456 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c3c2)cc1 ZINC000587023505 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587023700 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCC(=O)Nc5nnc(-c6ccncc6)s5)[nH]c4c3)o2)cc1 ZINC000587023817 KJ Annotated Anodyne O=C(CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023846 KJ Annotated Anodyne COC(=O)c1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587024135 KJ Annotated Anodyne O=C(CCc1nc2cc(Br)c(Br)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024168 KJ Annotated Anodyne O=C(CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024169 KJ Annotated Anodyne CCCCOc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Br ZINC000587024192 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ncc(NC(=O)OC(C)(C)C)s4)nc3c2)cc1 ZINC000587024214 KJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)s1 ZINC000587024356 KJ Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024371 KJ Annotated Anodyne O=C(CCc1nc2c(Br)ccc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024384 KJ Annotated Anodyne CC(C)COc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Br ZINC000587024415 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CSCc3ccsc3)nc1-2 ZINC000587024631 KJ Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024913 KJ Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587025309 KJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587026134 KJ Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587026618 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CSCc4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587026859 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587027554 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587027555 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587027556 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587027557 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028224 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028226 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028227 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028229 KJ Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587028774 KJ Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587028800 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4sc5c(c4C)C(=O)N4CCC=C4N5)nc3c2)cc1 ZINC000587029021 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4cscn4)[nH]c3cc21 ZINC000587029218 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 ZINC000587029631 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587029638 KJ Annotated Anodyne Cc1c(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030066 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cn4c(-c5cscn5)nc5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587030149 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030206 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030207 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030209 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030211 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4csc5ccc(O)cc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587032617 KJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)N2 ZINC000587033335 KJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)N2 ZINC000587033348 KJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)N2 ZINC000587033349 KJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)N2 ZINC000587033350 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)ccc2s1 ZINC000587033416 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033619 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033620 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033621 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033622 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)cc(C(=O)O)c4[nH]3)ccc2s1 ZINC000587033725 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)ccc2s1 ZINC000587034205 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Cl)c(Br)cnc4[nH]3)ccc2s1 ZINC000587034228 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C#N)cc(Br)c4[nH]3)ccc2s1 ZINC000587034238 KJ Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)ccc2s1 ZINC000587034240 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)ccc2s1 ZINC000587034259 KJ Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)ccc2s1 ZINC000587034305 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Br)cnc(Cl)c4[nH]3)ccc2s1 ZINC000587034325 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)ccc2s1 ZINC000587034641 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)ccc2s1 ZINC000587034662 KJ Annotated Clean CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(I)cnc(Cl)c4[nH]3)ccc2s1 ZINC000587034702 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C)c(Br)cnc4[nH]3)ccc2s1 ZINC000587034741 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(I)cc4[nH]3)ccc2s1 ZINC000587034802 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(=O)OC)cc(Br)c4[nH]3)ccc2s1 ZINC000587034879 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)ccc2s1 ZINC000587035091 KJ Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)ccc2s1 ZINC000587035227 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(I)c4[nH]3)ccc2s1 ZINC000587035228 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)c(C)nc4[nH]3)ccc2s1 ZINC000587035327 KJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Br)c(O)c4[nH]3)ccc2s1 ZINC000587035705 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@H]5OCCc6ccsc65)[nH]c4c3)cc2)CC1 ZINC000587035787 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@@H]5OCCc6ccsc65)[nH]c4c3)cc2)CC1 ZINC000587035796 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4SCCc5sccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587036908 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4SCCc5sccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587036912 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cc12 ZINC000587036959 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cc12 ZINC000587036965 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@H]3SCCc4sccc43)nc12 ZINC000587037037 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@H]3SCCc4sccc43)nc12 ZINC000587037041 KJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(S(N)(=O)=O)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037122 KJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(S(N)(=O)=O)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037130 KJ Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587037214 KJ Annotated Anodyne COC(=O)c1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587037217 KJ Annotated Anodyne O=C(c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587037234 KJ Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(=O)(=O)N6CCOCC6)cc5[nH]4)c23)cc1 ZINC000587037412 KJ Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037647 KJ Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc12 ZINC000587037664 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc12 ZINC000587037665 KJ Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(=O)N6CCN(CCO)CC6)cc5[nH]4)c23)cc1 ZINC000587037910 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc12 ZINC000587037956 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc12 ZINC000587037959 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc12 ZINC000587038008 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc12 ZINC000587038009 KJ Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1=O ZINC000587038496 KJ Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1=O ZINC000587038497 KJ Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)C1=O ZINC000587039075 KJ Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)C1=O ZINC000587039077 KJ Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587039083 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587039086 KJ Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587039210 KJ Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1Br ZINC000587039357 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc1 ZINC000587039485 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc1 ZINC000587039495 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc12 ZINC000587039595 KJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc12 ZINC000587039598 KJ Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587040442 KJ Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1Br ZINC000587040485 KJ Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587040769 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587041022 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587041023 KJ Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587041451 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CSCN3C(=O)c3ccc(OCC)cc3)nc2c1 ZINC000587041456 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCN3C(=O)c3ccc(OCC)cc3)nc2c1 ZINC000587041457 KJ Annotated Anodyne CCCCOc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1Br ZINC000587041471 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587041892 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587041893 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042019 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042020 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587042136 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587042141 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587043078 KJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587043089 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc1-2 ZINC000587043168 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc1-2 ZINC000587043169 KJ Annotated Anodyne O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587045445 KJ Annotated Reactive N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587045738 KJ Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587045771 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[nH]c3cc21 ZINC000587045827 KJ Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587046086 KJ Annotated Bother N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587046100 KJ Annotated Bother COc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(Cl)c1O ZINC000587046451 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1 ZINC000587048140 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587048145 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587048221 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587048224 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(I)cnc3[nH]2)c1 ZINC000587048518 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587048620 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(I)cnc3[nH]2)c1 ZINC000587048972 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(I)cnc3[nH]2)c1 ZINC000587048977 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2c1 ZINC000587049270 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2c1 ZINC000587049272 KJ Annotated Anodyne CC(=O)Nc1ccc(Cl)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587049445 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587049597 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCC(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2c1 ZINC000587049616 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587050155 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587050156 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1 ZINC000587050411 KJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1 ZINC000587050413 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587050869 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587050878 KJ Annotated Bother N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587052693 KJ Annotated Anodyne CCc1cc(OCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)ccc1Cl ZINC000587052729 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587053048 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587053049 KJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587053344 KJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587053345 KJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587054364 KJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587054367 KJ Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587055542 KJ Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587056744 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587057587 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587057855 KJ Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 ZINC000587057944 KJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 ZINC000587057952 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(CCc4ccccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587058030 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587058603 KJ Annotated Anodyne Nc1ncc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(-c2ccccc2Cl)n1 ZINC000587060545 KJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060998 KJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061117 KJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061172 KJ Annotated Bother CCN1C(=O)C[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061644 KJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061946 KJ Annotated Bother COCCN1C(=O)CC[C@H](c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062074 KJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(I)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062099 KJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062115 KJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062602 KJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062734 KJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(I)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063432 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1)N1CCOCC1 ZINC000587063863 KJ Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063918 KJ Annotated Anodyne O=C(c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587064367 KJ Annotated Anodyne O=c1cccc(-c2nc3c(Cl)ncc(I)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064489 KJ Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587064573 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cccc(=O)n4CCOc4ccccc4Cl)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587064852 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 ZINC000587064970 KJ Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587066763 KJ Annotated Mild COc1cc(Cl)ccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587066785 KJ Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587066802 KJ Annotated Mild Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587068325 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587068434 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1)N1CCOCC1 ZINC000587069497 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1)N1CCOCC1 ZINC000587069501 KJ Annotated Anodyne O=C(c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587070800 KJ Annotated Anodyne O=C(c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587070837 KJ Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587072273 KJ Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587072274 KJ Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587072275 KJ Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587072276 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 ZINC000587073630 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587073845 KJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587074301 KJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587074534 KJ Annotated Anodyne Cc1c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)nnn1Cc1ccc(Cl)cc1 ZINC000587074722 KJ Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587075142 KJ Annotated Anodyne Cc1c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075513 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCc4nnc(-c5ccc(Cl)cc5)o4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587075609 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)nc1-2 ZINC000587076664 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc1-2 ZINC000587077224 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc1-2 ZINC000587077225 KJ Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078720 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587079133 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587079539 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587079543 KJ Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079814 KJ Annotated Bother Cc1onc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080067 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3Cc4cc(Cl)ccc4O3)nc1-2 ZINC000587080204 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3Cc4cc(Cl)ccc4O3)nc1-2 ZINC000587080206 KJ Annotated Anodyne Cc1onc(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080487 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc1-2 ZINC000587080586 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc1-2 ZINC000587080600 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](N)Cc5c[nH]c6cc(Cl)ccc56)[nH]c4c3)cc2)CC1 ZINC000587080910 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H](N)Cc5c[nH]c6cc(Cl)ccc56)[nH]c4c3)cc2)CC1 ZINC000587080911 KJ Annotated Anodyne Cc1onc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080993 KJ Annotated Bother Cc1onc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587081008 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587082100 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCCC(=O)c3ccc(Cl)cn3)nc1-2 ZINC000587082587 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587083063 KJ Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083548 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Cl)c(Cl)n3)nc1-2 ZINC000587083945 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc12 ZINC000587084382 KJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587084621 KJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587086301 KJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587086302 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587087026 KJ Annotated Anodyne CC(C)(F)[C@@H](Br)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587087081 KJ Annotated Reactive CC(C)(F)[C@H](Br)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587087084 KJ Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2c1 ZINC000587087103 KJ Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc([N+](=O)[O-])c([N+](=O)[O-])cc5[nH]4)(C3)C1)C2 ZINC000587087169 KJ Annotated Bother CCS(=O)(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587087730 KJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587087834 KJ Annotated Mild CN(C)C(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088260 KJ Annotated Anodyne CN(C)CCOc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088287 KJ Annotated Anodyne CC1=C(c2ccc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3c2)NNC(=O)C1 ZINC000587088352 KJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(I)cnc5[nH]4)(C3)C1)C2 ZINC000587088381 KJ Annotated Anodyne COC(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1OC ZINC000587088515 KJ Annotated Anodyne COC(=O)c1cc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2cc1OC ZINC000587088571 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nc(Cl)cnc4N)[nH]c3cc21 ZINC000587088637 KJ Annotated Anodyne CN1CCN(c2ccc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3c2)CC1 ZINC000587088955 KJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(CN6CCOCC6)cc5[nH]4)(C3)C1)C2 ZINC000587088976 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587089030 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc12 ZINC000587089113 KJ Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 ZINC000587090966 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000587091053 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3ncoc3CCC(F)(F)F)nc12 ZINC000587091096 KJ Annotated Anodyne Nc1ncnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587091238 KJ Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(I)c3[nH]2)CC1 ZINC000587091274 KJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(F)(F)F ZINC000587091484 KJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(F)(F)F ZINC000587091486 KJ Annotated Anodyne NNC(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091544 KJ Annotated Reactive CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 ZINC000587091802 KJ Annotated Anodyne Oc1nncc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091878 KJ Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 ZINC000587092109 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(I)cc3[nH]2)CC1 ZINC000587092289 KJ Annotated Anodyne Oc1ncnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587092412 KJ Annotated Mild N#Cc1nc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2nc1C#N ZINC000587092414 KJ Annotated Mild O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)nn1CC(F)(F)F ZINC000587092532 KJ Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(F)(F)F ZINC000587093327 KJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(F)(F)F ZINC000587093328 KJ Annotated Anodyne NS(=O)(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093569 KJ Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ncc[nH]c-2n1 ZINC000587093607 KJ Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1)C(F)(F)F ZINC000587093624 KJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1)C(F)(F)F ZINC000587093625 KJ Annotated Anodyne NS(=O)(=O)c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093628 KJ Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587093697 KJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C(F)(F)F)n1 ZINC000587094266 KJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C(F)(F)F)n1 ZINC000587094267 KJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C(F)(F)F)n1 ZINC000587095153 KJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C(F)(F)F)n1 ZINC000587095155 KJ Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587095176 KJ Annotated Bother C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587095178 KJ Annotated Bother Nc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C(F)(F)F)c1 ZINC000587095614 KJ Annotated Anodyne Cc1ccc2c3c(cc(CN4C(=O)c5ccccc5N/C4=C/N4CCOCC4)nc13)-c1ccccc1C2=O ZINC000587096209 KJ Annotated Anodyne Cc1ccc2c3c(cc(CN4C(=O)c5ccccc5N/C4=C\N4CCOCC4)nc13)-c1ccccc1C2=O ZINC000587096212 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587096233 KJ Annotated Anodyne COC(=O)[C@]1(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587096235 KJ Annotated Anodyne COc1ccc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587098056 KJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1=C(C[C@@H]4C)C[C@H](O)[C@]3(O)[C@H]1C(=O)c1cccc(O)c1[C@H]3O)-c1ccccc1C2=O ZINC000587100547 KJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1=C(C[C@@H]4C)C[C@H](O)[C@]3(O)[C@H]1C(=O)c1cccc(O)c1[C@@H]3O)-c1ccccc1C2=O ZINC000587100548 KJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1=C(C[C@@H]4C)C[C@H](O)[C@]3(O)[C@@H]1C(=O)c1cccc(O)c1[C@H]3O)-c1ccccc1C2=O ZINC000587100549 KJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1=C(C[C@@H]4C)C[C@H](O)[C@@]3(O)[C@@H](O)c4c(O)cccc4C(=O)[C@H]13)-c1ccccc1C2=O ZINC000587100550 KJ Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)N(C)CCCC(=O)O)cc4)nc13)-c1ccccc1C2=O ZINC000587101021 KJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)CC4)-c1ccccc1C2=O ZINC000587102324 KJ Annotated Bother Cc1ccc2c3c(c4c(nc13)[C@@H](C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)CC4)-c1ccccc1C2=O ZINC000587102329 KJ Annotated Bother COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3c(C)ccc4c3c1-c1ccccc1C4=O)[C@]1(O)C=CO[C@@H]1O2 ZINC000587102378 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587104823 KJ Annotated Anodyne COC(=O)[C@]1(Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587104824 KJ Annotated Anodyne COC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587104837 KJ Annotated Bother COC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587104838 KJ Annotated Bother COC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587104839 KJ Annotated Bother COC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587104840 KJ Annotated Bother COC(=O)[C@@]1(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587105348 KJ Annotated Anodyne COC(=O)[C@]1(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587105349 KJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587106441 KJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587106442 KJ Annotated Bother O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587106452 KJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587106453 KJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587107287 KJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587107291 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)nc1-2 ZINC000587108540 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3ncccc3C(F)(F)F)nc12 ZINC000587108637 KJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c21 ZINC000587108668 KJ Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c21 ZINC000587108669 KJ Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccccc4C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587108786 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587108878 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587109031 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587109637 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587109796 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587109917 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)nc1-2 ZINC000587109963 KJ Annotated Anodyne O=C1COc2cc3nc(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)[nH]c3cc2N1 ZINC000587110695 KJ Annotated Anodyne O=c1c(-c2nc3c(S)nc(S)nc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111042 KJ Annotated Anodyne O=c1c(-c2nc3nc(Br)c[nH]c-3n2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111741 KJ Annotated Anodyne Cn1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C(F)(F)F)c1 ZINC000587111805 KJ Annotated Anodyne Nc1nc(O)c2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587112119 KJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587112533 KJ Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Br)ccc(Br)c4[nH]3)n2)cc1 ZINC000587112760 KJ Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Br)c(Br)cc4[nH]3)n2)cc1 ZINC000587112810 KJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587113036 KJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587113039 KJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587113041 KJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587113053 KJ Annotated Anodyne FC(F)(F)Oc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587113340 KJ Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587113480 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113599 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113845 KJ Annotated Anodyne COC(=O)c1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587113996 KJ Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587114031 KJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587114337 KJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587114340 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587114377 KJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587114667 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc1-2 ZINC000587114896 KJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115049 KJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)nc2n1 ZINC000587115493 KJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)c1C(F)(F)F ZINC000587115547 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cncc(C(F)(F)F)c3)nc1-2 ZINC000587115649 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587115968 KJ Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587116584 KJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587116924 KJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587116926 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587117698 KJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587117734 KJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587117741 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCn3cc(Br)c(C(F)(F)F)n3)nc1-2 ZINC000587117832 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3c2)cc1 ZINC000587118354 KJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118417 KJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587118434 KJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587118436 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCn5cc(Br)c(C(F)(F)F)n5)[nH]c4c3)cc2)CC1 ZINC000587118537 KJ Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587118623 KJ Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587118764 KJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587118767 KJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Br)cnc(Br)c3[nH]2)cc1Br ZINC000587119082 KJ Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587119179 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587119490 KJ Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000587119561 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cn3nc(C(F)(F)F)cc3C3CC3)nc1-2 ZINC000587119777 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119822 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)nc1-2 ZINC000587119989 KJ Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4ncc(I)cc4[nH]3)n2n1 ZINC000587120033 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3c2)cc1 ZINC000587120074 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4[nH]c(-c5cc(Cn6ccc(C(F)(F)F)n6)on5)nc4c3)cc2)CC1 ZINC000587120083 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587120126 KJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587120344 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc1-2 ZINC000587120385 KJ Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587120561 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587120595 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3c2)cc1 ZINC000587120629 KJ Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587120646 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587120660 KJ Annotated Anodyne COC(=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2n1 ZINC000587120689 KJ Annotated Anodyne COC(=O)c1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587120719 KJ Annotated Anodyne COC(=O)c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cn1 ZINC000587120787 KJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120793 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587120814 KJ Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(-n5cnnn5)cc4[nH]3)nn12 ZINC000587120829 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587120936 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1)N1CCOCC1 ZINC000587120939 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587120947 KJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587120982 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587121003 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587121009 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587121092 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587121095 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587121128 KJ Annotated Anodyne CCCCOc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1Br ZINC000587121133 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587121176 KJ Annotated Anodyne N=c1[nH]c2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc-2c(Cl)[nH]1 ZINC000587121182 KJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587121249 KJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)cc2N1 ZINC000587122284 KJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)cc2N1 ZINC000587122289 KJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)cc2N1 ZINC000587122290 KJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)cc2N1 ZINC000587122291 KJ Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587122843 KJ Annotated Anodyne Cc1cc(-c2nc3c(Br)ncc(Br)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123809 KJ Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587124860 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3c2)cc1 ZINC000587125693 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@H](C)N5)[nH]c3c2)cc1 ZINC000587125695 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3c2)cc1 ZINC000587125698 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@H](C)N5)[nH]c3c2)cc1 ZINC000587125701 KJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2N1 ZINC000587126186 KJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2N1 ZINC000587126187 KJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2N1 ZINC000587126188 KJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2N1 ZINC000587126189 KJ Annotated Anodyne Cc1cc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126339 KJ Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587126464 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587126477 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587126503 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587126631 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587126634 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587126637 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587126640 KJ Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587127279 KJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 ZINC000587127396 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 ZINC000587127425 KJ Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587127443 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cn5c(=O)cc(C(F)(F)F)c6c(C)nn(C)c65)[nH]c4c3)o2)cc1 ZINC000587127699 KJ Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587127767 KJ Annotated Mild O=C(O)c1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587127774 KJ Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)cc(C)c5[nH]4)nc3n2)cn1 ZINC000587127782 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Br)c(C)c5[nH]4)nc3n2)cn1 ZINC000587127915 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(F)cc(Br)c5[nH]4)nc3n2)cn1 ZINC000587127946 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5[nH]c(-c6nn(Cc7ccccc7F)c7ncccc67)nc(N)c-5n4)nc3n2)cn1 ZINC000587127970 KJ Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587128045 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)c(F)c(F)c5[nH]4)nc3n2)cn1 ZINC000587128053 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cn4c(=O)cc(C(F)(F)F)c5c(C)nn(C)c54)[nH]c3c2)cc1 ZINC000587128056 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)c(F)cc5[nH]4)nc3n2)cn1 ZINC000587128202 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C)cc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128234 KJ Annotated Anodyne Cn1nnc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1C(F)F ZINC000587128290 KJ Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(Br)cnc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128373 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc([N+](=O)[O-])c([N+](=O)[O-])cc5[nH]4)c3n2)cnn1C ZINC000587128418 KJ Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)cc(F)c5[nH]4)nc3n2)cn1 ZINC000587128441 KJ Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1OC ZINC000587128520 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C)c(Br)cc5[nH]4)nc3n2)cn1 ZINC000587128571 KJ Annotated Anodyne CC1=C(c2ccc3nc(Cn4nc(C5CC5)c5c(C(F)F)cc(-c6cnn(C)c6C)nc54)[nH]c3c2)NNC(=O)C1 ZINC000587128617 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(F)c(Br)c5[nH]4)nc3n2)cn1 ZINC000587128742 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)C(F)(F)F)ncc5[nH]4)nc3n2)cn1 ZINC000587128751 KJ Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nnn(C)c4C(F)F)[nH]c3cc21 ZINC000587128826 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6c(cc5[nH]4)NC(=O)CC6)c3n2)cnn1C ZINC000587128876 KJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587128896 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(OCCN(C)C)cc5[nH]4)c3n2)cnn1C ZINC000587128945 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)nc2c1 ZINC000587128949 KJ Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587129097 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c6cccnc6c6ncccc6c5[nH]4)nc3n2)cn1 ZINC000587129118 KJ Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)c(C)c(C)c5[nH]4)nc3n2)cn1 ZINC000587129309 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(N6CCN(C)CC6)cc5[nH]4)c3n2)cnn1C ZINC000587129357 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cnc(C(F)(F)F)[nH]c-5n4)c3n2)cnn1C ZINC000587129394 KJ Annotated Anodyne COC(=O)c1cc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2cc1OC ZINC000587129438 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Br)c(F)c5[nH]4)nc3n2)cn1 ZINC000587129478 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(=O)Nc6ccc(CCN7CCN(C)CC7)cc6)cc5[nH]4)nc3n2)cn1 ZINC000587129754 KJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587129824 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(I)cnc5[nH]4)c3n2)cnn1C ZINC000587129890 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6nc7ccccc7nc6cc5[nH]4)nc3n2)cn1 ZINC000587129968 KJ Annotated Bother Cn1nc(-c2nc3ncc(I)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130054 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(CN6CCOCC6)cc5[nH]4)c3n2)cnn1C ZINC000587130275 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(=O)N(C)C)cc5[nH]4)c3n2)cnn1C ZINC000587130306 KJ Annotated Anodyne Cn1nc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130347 KJ Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4nn(C)c5nccc(-c6cccc(OC(F)F)c6)c45)nc3c2)NNC(=O)C1 ZINC000587130416 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 ZINC000587130485 KJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5[nH]c(O)nc(NCc6ccccc6)c-5n4)c3n2)cnn1C ZINC000587130567 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587130627 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587130847 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Oc6ccc(N)cc6)cc5[nH]4)nc3n2)cn1 ZINC000587130907 KJ Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(OC(F)F)cc3)[nH]c12 ZINC000587131014 KJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)nc3n2)cn1 ZINC000587131158 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C(F)(F)C1 ZINC000587132828 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C(F)(F)C1 ZINC000587132835 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587133670 KJ Annotated Anodyne O=S(=O)(NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587133797 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3c(F)c(F)c(S)c(F)c3F)nc1-2 ZINC000587133900 KJ Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134305 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)c4ccc(F)c(F)c4F)[nH]c3cc21 ZINC000587134317 KJ Annotated Anodyne CC(C)CCOc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Br ZINC000587134319 KJ Annotated Anodyne O=C(O)c1cc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587134680 KJ Annotated Bother CCCCCOc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Br ZINC000587134948 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587135344 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1F)N1CCOCC1 ZINC000587136035 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1F)N1CCOCC1 ZINC000587136070 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(OC(C)(C)C)c(F)cc4N)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587136221 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1F)N1CCOCC1 ZINC000587136688 KJ Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1C ZINC000587136689 KJ Annotated Anodyne CC(C)COc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1Br ZINC000587136945 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1F)N1CCOCC1 ZINC000587137159 KJ Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1Br ZINC000587137182 KJ Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137401 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(N)c(N)cc4F)[nH]c3cc21 ZINC000587137416 KJ Annotated Anodyne Nc1nc(O)c2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587138570 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3cc(F)c(F)c(F)c3)nc1-2 ZINC000587138594 KJ Annotated Anodyne N=c1[nH]cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2[nH]1 ZINC000587138813 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1F)N1CCOCC1 ZINC000587138887 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1F)N1CCOCC1 ZINC000587139061 KJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139290 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587139297 KJ Annotated Bother O=S(=O)(c1cc(Br)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1F)N1CCOCC1 ZINC000587139298 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1F)N1CCOCC1 ZINC000587139316 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1F)N1CCOCC1 ZINC000587139393 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1F)N1CCOCC1 ZINC000587139592 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc1-2 ZINC000587139600 KJ Annotated Bother COC(=O)c1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587139619 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Br)cc(S(=O)(=O)N6CCOCC6)c5F)[nH]c4c3)o2)cc1 ZINC000587139653 KJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(Br)cc(S(=O)(=O)N5CCOCC5)c4F)[nH]c3c2)cc1 ZINC000587139661 KJ Annotated Clean O=S(=O)(c1cc(Br)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1F)N1CCOCC1 ZINC000587139840 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1F)N1CCOCC1 ZINC000587139888 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1F)N1CCOCC1 ZINC000587139915 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 ZINC000587140105 KJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140160 KJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cccc(I)c2[nH]1)c1cc(F)ccc1F ZINC000587140171 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1F)N1CCOCC1 ZINC000587140238 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(Br)cc(S(=O)(=O)N5CCOCC5)c4F)[nH]c3c2)cc1 ZINC000587140245 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1F)N1CCOCC1 ZINC000587140251 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1F)N1CCOCC1 ZINC000587140256 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1F)N1CCOCC1 ZINC000587140282 KJ Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1F)N1CCOCC1 ZINC000587140307 KJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587140329 KJ Annotated Anodyne O=C(c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587140637 KJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587141155 KJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587141178 KJ Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587141286 KJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587141287 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587141866 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587142172 KJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587142201 KJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142306 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587142322 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1 ZINC000587143609 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1 ZINC000587143610 KJ Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1F ZINC000587143924 KJ Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1F ZINC000587143927 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144218 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144220 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@@H](N)c5ccc(Br)cc5F)[nH]c4c3)cc2)CC1 ZINC000587144490 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@H](N)c5ccc(Br)cc5F)[nH]c4c3)cc2)CC1 ZINC000587144491 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@H](N)c3ccc(Br)cc3F)nc1-2 ZINC000587145288 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@@H](N)c3ccc(Br)cc3F)nc1-2 ZINC000587145291 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc(-c4ccc(C(=O)NCC)c(F)c4)cc3)[nH]c2c1 ZINC000587147032 KJ Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2[nH]1 ZINC000587147848 KJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(I)cnc4[nH]3)cc2)cc1F ZINC000587147938 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)Oc4ccc(F)c(F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587148461 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)Oc4ccc(F)c(F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587148467 KJ Annotated Anodyne O=C1C[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150831 KJ Annotated Anodyne O=C1C[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150834 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cc(-c5ccc(F)c(F)c5)nn4C)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587150988 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(F)cc4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587151190 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(F)cc4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587151194 KJ Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587152047 KJ Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587152051 KJ Annotated Anodyne CC1=C(c2ccc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587153003 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587153415 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587153424 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587153426 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587153429 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccccc4OCC(=O)Nc4ccccc4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587153931 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2c1 ZINC000587154423 KJ Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587155177 KJ Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587155183 KJ Annotated Anodyne CCCc1nc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)nn1-c1ccccc1F ZINC000587155801 KJ Annotated Anodyne CCCc1nc(-c2nc3cc(S(=O)(=O)Nc4ccccc4OC)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156573 KJ Annotated Anodyne CCCc1nc(-c2nc3cc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156753 KJ Annotated Anodyne O=S(=O)(c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1)C(F)(F)F ZINC000587156929 KJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587156944 KJ Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4cccc(I)c4[nH]3)o2)c1 ZINC000587156967 KJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(I)cc4[nH]3)o2)c1 ZINC000587157918 KJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(I)cnc(Cl)c4[nH]3)o2)c1 ZINC000587157972 KJ Annotated Anodyne O=S(=O)(c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587158183 KJ Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587158185 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587158325 KJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587158378 KJ Annotated Bother O=C(O)c1cc(Br)cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587158450 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 ZINC000587158533 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]5(C)C=C(c6ccccc6F)NO5)[nH]c4c3)cc2)CC1 ZINC000587158893 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@]5(C)C=C(c6ccccc6F)NO5)[nH]c4c3)cc2)CC1 ZINC000587158894 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587162203 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587162211 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587162215 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587162219 KJ Annotated Anodyne O=C1CC=C(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162265 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 ZINC000587162988 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cn3cc(-c4ccc(F)cc4)cn3)nc1-2 ZINC000587164878 KJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1C ZINC000587165852 KJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1C ZINC000587166005 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)[nH]c2c1 ZINC000587166160 KJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1C ZINC000587166174 KJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(I)cnc3[nH]2)c1C ZINC000587166251 KJ Annotated Anodyne O=C(N[C@@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167116 KJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587167442 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc1-2 ZINC000587167607 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc1-2 ZINC000587167614 KJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c12 ZINC000587168196 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587168427 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3c2)cc1 ZINC000587168518 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587168629 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 ZINC000587168879 KJ Annotated Anodyne CN(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169625 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169700 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169701 KJ Annotated Anodyne CN(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169706 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc1-2 ZINC000587170088 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc1-2 ZINC000587170089 KJ Annotated Anodyne CN(Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170259 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587170260 KJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171039 KJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171050 KJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c21 ZINC000587171226 KJ Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c21 ZINC000587171229 KJ Annotated Clean O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1 ZINC000587171399 KJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1 ZINC000587171400 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(C)S(=O)(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587171429 KJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171551 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]2)cn3C2CC2)CC1 ZINC000587171713 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc5c(c4[nH]2)C(=O)c2ccccc2C5=O)cn3C2CC2)CC1 ZINC000587171749 KJ Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c3c2)cc1 ZINC000587171861 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587171934 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587171935 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5c(cc4[nH]2)OC(F)(F)O5)cn3C2CC2)C1 ZINC000587172026 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5c(cc4[nH]2)OC(F)(F)O5)cn3C2CC2)C1 ZINC000587172027 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(F)c(F)c(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172029 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(F)c(F)c(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172030 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587172066 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587172067 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C#N)cc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587172227 KJ Annotated Mild CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Br)cnc(Cl)c4[nH]2)cn3C2CC2)CC1 ZINC000587172277 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(I)cnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172280 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(I)cnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172282 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)ncc4[nH]2)cn3C2CC2)CC1 ZINC000587172309 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(-n5cccn5)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172314 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(-n5cccn5)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172317 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(I)c4[nH]2)cn3C2CC2)C1 ZINC000587172329 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(I)c4[nH]2)cn3C2CC2)C1 ZINC000587172332 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)cnc(Cl)c4[nH]2)cn3C2CC2)CC1 ZINC000587172342 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(I)cnc(Cl)c4[nH]2)cn3C2CC2)CC1 ZINC000587172411 KJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172574 KJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172578 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc([N+](=O)[O-])c4[nH]2)cn3C2CC2)CC1 ZINC000587172745 KJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172783 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172784 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4[nH]c(Cl)nc(C(F)(F)F)c-4n2)cn3C2CC2)C1 ZINC000587172808 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4[nH]c(Cl)nc(C(F)(F)F)c-4n2)cn3C2CC2)C1 ZINC000587172809 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c([N+](=O)[O-])c4[nH]2)cn3C2CC2)CC1 ZINC000587172818 KJ Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)ncc4[nH]2)cn3C2CC2)C1 ZINC000587172959 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)ncc4[nH]2)cn3C2CC2)C1 ZINC000587172960 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cnc4[nH]2)cn3C2CC2)C1 ZINC000587172982 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cnc4[nH]2)cn3C2CC2)C1 ZINC000587172983 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 ZINC000587173018 KJ Annotated Anodyne Cc1nc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2cc1Br ZINC000587173023 KJ Annotated Anodyne Cc1nc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2cc1Br ZINC000587173024 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173086 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(F)cnc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173164 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(F)cnc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173165 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(I)cc4[nH]2)cn3C2CC2)C1 ZINC000587173184 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(I)cc4[nH]2)cn3C2CC2)C1 ZINC000587173185 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c(O)c4[nH]2)cn3C2CC2)C1 ZINC000587173201 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c(O)c4[nH]2)cn3C2CC2)C1 ZINC000587173202 KJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587173208 KJ Annotated Mild N#Cc1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587173209 KJ Annotated Mild CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173317 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173376 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(=O)OC)cc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587173425 KJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(C(=O)O)c4[nH]2)cn3C2CC2)C1 ZINC000587173490 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(C(=O)O)c4[nH]2)cn3C2CC2)C1 ZINC000587173491 KJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587173503 KJ Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587173504 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@@H](N)C6)c(F)cc5c4=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587173637 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@H](N)C6)c(F)cc5c4=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587173638 KJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587173640 KJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587173641 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4coc5cc(F)ccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587175602 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(C(=O)Nc6ccc(CCN7CCN(C)CC7)cc6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587175891 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(C(=O)Nc6ccc(CN7CCN(C)CC7)cc6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176000 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cn(C5CC5)c5c(F)c(N6C[C@H](C)N[C@H](C)C6)c(F)c(N)c5c4=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587176303 KJ Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Cl ZINC000587176573 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Br)c(F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176578 KJ Annotated Anodyne C=CCc1cccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587176630 KJ Annotated Mild C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5[nH]c(-c6nn(Cc7ccccc7F)c7ncccc67)nc(N)c-5n4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176634 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(I)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176653 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Br)cc(F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176684 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)c(F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176685 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Br)c([N+](=O)[O-])c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176688 KJ Annotated Bother C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C#N)c(C(F)(F)F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176699 KJ Annotated Mild C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(OC(F)(F)F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176705 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(C(F)(F)F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176708 KJ Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587176721 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)c(Cl)nc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176858 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176874 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Br)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176880 KJ Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Br ZINC000587176881 KJ Annotated Anodyne Cc1c(Br)ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587176887 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176892 KJ Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cn(C5CC5)c5c(F)c(N6C[C@H](C)N[C@H](C)C6)c(F)c(N)c5c4=O)[nH]c32)n1 ZINC000587176905 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)nc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176909 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(I)cnc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176911 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cn(C5CC5)c5c(F)c(N6C[C@H](C)N[C@H](C)C6)c(F)c(N)c5c4=O)[nH]c3c2)cc1 ZINC000587176945 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc2c1 ZINC000587176960 KJ Annotated Anodyne CSc1ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2c1 ZINC000587176986 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)c(F)c(F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177004 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(I)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177045 KJ Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Cl ZINC000587177057 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(F)cc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177077 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C(F)(F)C(F)(F)F)ncc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177083 KJ Annotated Mild C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Br)c(F)c(F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177085 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Br)cc([N+](=O)[O-])c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177086 KJ Annotated Bother C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(F)c(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177097 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C#N)cc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177109 KJ Annotated Mild C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)cc(F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177128 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(OC(F)(F)F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177134 KJ Annotated Anodyne CC(C)Oc1ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2c1 ZINC000587177260 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(Cl)c(Cl)cnc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177273 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(-c6ccc(N)c(N)c6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177285 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Br)c(F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177299 KJ Annotated Anodyne Cc1cc(Br)cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587177315 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc6c(c5[nH]4)C(=O)c4ccccc4C6=O)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177317 KJ Annotated Clean C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(Cl)cnc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177328 KJ Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587177331 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc6c(c5[nH]4)CCCC6)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177334 KJ Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc2c1 ZINC000587177449 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(C(C)(C)C)nc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177473 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(Br)cnc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177474 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(Br)cnc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177492 KJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(Cl)c(Br)cnc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177493 KJ Annotated Anodyne Brc1nccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178395 KJ Annotated Anodyne Brc1ccc2nc(-c3cc(I)ccc3I)[nH]c2n1 ZINC000587178398 KJ Annotated Anodyne Fc1cc2[nH]c(-c3ccc(I)c(I)c3)nc2cc1-n1cccn1 ZINC000587178514 KJ Annotated Anodyne Cc1cc2[nH]c(-c3cc(I)ccc3I)nc2cc1[N+](=O)[O-] ZINC000587178588 KJ Annotated Bother FC1(F)Oc2cc3nc(-c4cc(I)ccc4I)[nH]c3cc2O1 ZINC000587178631 KJ Annotated Anodyne Cc1nc2[nH]c(-c3ccc(I)c(I)c3)nc2cc1Br ZINC000587178646 KJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(I)ccc3I)nc1-2 ZINC000587178652 KJ Annotated Anodyne Fc1cc2[nH]c(-c3cc(I)ccc3I)nc2cc1-n1cccn1 ZINC000587178682 KJ Annotated Anodyne Brc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2n1 ZINC000587178698 KJ Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1F ZINC000587178745 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178765 KJ Annotated Anodyne Cc1nc2[nH]c(-c3cc(I)ccc3I)nc2cc1Br ZINC000587178823 KJ Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(I)cnc3[nH]2)c(I)c1 ZINC000587178828 KJ Annotated Anodyne Brc1cc2nc(-c3cc(I)ccc3I)[nH]c2cn1 ZINC000587178854 KJ Annotated Anodyne Cc1cc2[nH]c(-c3ccc(I)c(I)c3)nc2cc1[N+](=O)[O-] ZINC000587178887 KJ Annotated Bother FC(F)(F)c1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cn1 ZINC000587178894 KJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178911 KJ Annotated Mild Oc1nc(NCc2ccccc2)c2nc(-c3ccc(C(F)(F)F)cc3I)nc-2[nH]1 ZINC000587178921 KJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178958 KJ Annotated Anodyne Ic1ccc(I)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587178962 KJ Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](N)Cc4cc(I)c(O)c(I)c4)[nH]c3c2)cc1N ZINC000587178973 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)Cc4cc(I)c(O)c(I)c4)[nH]c3c2)cc1 ZINC000587178986 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587178991 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)cc3I)nc2c1 ZINC000587179065 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179129 KJ Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179180 KJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179219 KJ Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(I)ccc3I)[nH]c2cn1 ZINC000587179223 KJ Annotated Anodyne COc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(I)c1 ZINC000587179294 KJ Annotated Anodyne Brc1cnc2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179314 KJ Annotated Anodyne Brc1nccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179322 KJ Annotated Anodyne Oc1c(Br)ccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179376 KJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179382 KJ Annotated Anodyne Brc1cncc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179391 KJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587179394 KJ Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179410 KJ Annotated Anodyne Brc1ccnc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587179425 KJ Annotated Anodyne Brc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cn1 ZINC000587179461 KJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccc(I)c(I)c3)nc1-2 ZINC000587179469 KJ Annotated Anodyne Brc1cncc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179477 KJ Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179511 KJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179534 KJ Annotated Mild Brc1cnc2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179536 KJ Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cc(I)ccc3I)nc2c1F ZINC000587179543 KJ Annotated Anodyne Ic1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1I ZINC000587179582 KJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179611 KJ Annotated Anodyne COc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c(I)c1 ZINC000587179658 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2c1 ZINC000587179702 KJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587179703 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587179817 KJ Annotated Anodyne CCCCCOc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cc1Br ZINC000587179860 KJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2[nH]1 ZINC000587179876 KJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2[nH]1 ZINC000587179879 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587179996 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587180031 KJ Annotated Anodyne Cc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Cl ZINC000587180066 KJ Annotated Anodyne Cn1nc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(I)c1C(=O)O ZINC000587180074 KJ Annotated Bother CCCCCOc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1Br ZINC000587180188 KJ Annotated Anodyne Cn1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(I)c1C(=O)O ZINC000587180200 KJ Annotated Anodyne Cc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Br ZINC000587180248 KJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](N)Cc4cc(I)c(O)c(I)c4)[nH]c32)n1 ZINC000587180331 KJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587180342 KJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587180345 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587180360 KJ Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587180376 KJ Annotated Bother N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587180383 KJ Annotated Anodyne Cc1cc(Br)cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c12 ZINC000587180387 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587180398 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)nc1-2 ZINC000587180462 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587180477 KJ Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c12 ZINC000587180509 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587180510 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587180514 KJ Annotated Anodyne COc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(I)c1 ZINC000587180528 KJ Annotated Anodyne N=c1[nH]cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc-2[nH]1 ZINC000587180553 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3cc(I)c(O)c(I)c3)nc2c1 ZINC000587180557 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587180563 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587180565 KJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc2[nH]1 ZINC000587180595 KJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc2[nH]1 ZINC000587180596 KJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(C(=O)OC)cc2[nH]1 ZINC000587180635 KJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cc(C(=O)OC)cc2[nH]1 ZINC000587180637 KJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2[nH]1 ZINC000587180670 KJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2[nH]1 ZINC000587180672 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587180781 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587180796 KJ Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587180821 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587180840 KJ Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c12 ZINC000587180841 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587180852 KJ Annotated Bother N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587180904 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587180954 KJ Annotated Bother CCCOc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1Br ZINC000587180956 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3c(I)cnn3[C@H](C)CC)[nH]c2c1 ZINC000587180982 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3c(I)cnn3[C@@H](C)CC)[nH]c2c1 ZINC000587180984 KJ Annotated Anodyne Cc1c(Br)ccc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c12 ZINC000587181072 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587181100 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587181109 KJ Annotated Anodyne Nc1nc(O)c2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2n1 ZINC000587181138 KJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587181166 KJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587181167 KJ Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](N)Cc3cc(I)c(O)c(I)c3)nc2c1 ZINC000587181179 KJ Annotated Anodyne N#Cc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1C(F)(F)F ZINC000587181185 KJ Annotated Mild N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587181213 KJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587181306 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587181310 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587181363 KJ Annotated Anodyne CC(C)Oc1ccc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2c1 ZINC000587181373 KJ Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587181386 KJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587181419 KJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587181515 KJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587181516 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nn(C)c(C(=O)O)c4I)[nH]c3cc21 ZINC000587181539 KJ Annotated Anodyne Cn1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(I)c1C(=O)O ZINC000587181544 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4c(I)c(C(=O)O)nn4C)nc3cc21 ZINC000587181613 KJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2[nH]1 ZINC000587181660 KJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2[nH]1 ZINC000587181661 KJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587181929 KJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587181930 KJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587181945 KJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587181946 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)n4ncc(I)c4C)[nH]c3c2)cc1 ZINC000587181948 KJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)n4ncc(I)c4C)[nH]c3c2)cc1 ZINC000587181949 KJ Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587181973 KJ Annotated Anodyne COC(=O)c1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587181978 KJ Annotated Anodyne CSc1sc(-c2nc3ccnc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182199 KJ Annotated Anodyne CSc1sc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182201 KJ Annotated Anodyne CSc1sc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182205 KJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587182244 KJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587182246 KJ Annotated Anodyne CSc1sc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182258 KJ Annotated Bother CSc1sc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182267 KJ Annotated Bother CSc1sc(-c2nc3cc(I)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182275 KJ Annotated Anodyne CSc1sc(-c2nc3ccc(C#N)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182284 KJ Annotated Mild CSc1sc(-c2nc3cncc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182324 KJ Annotated Anodyne CSc1sc(-c2nc3cc(Cl)ncc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182338 KJ Annotated Anodyne CSc1sc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182386 KJ Annotated Bother CSc1sc(-c2nc3ccnc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182465 KJ Annotated Anodyne CSc1sc(-c2nc3cc(Br)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182469 KJ Annotated Anodyne COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2cc1OC ZINC000587182492 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c1 ZINC000587182494 KJ Annotated Anodyne COC(=O)c1cccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c12 ZINC000587182517 KJ Annotated Anodyne CSc1sc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182524 KJ Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)OCO4)c(I)c1S(=O)(=O)C(C)C ZINC000587182591 KJ Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c1 ZINC000587182601 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(I)ccc3F)nc1-2 ZINC000587182613 KJ Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c1OC ZINC000587182627 KJ Annotated Anodyne CSc1sc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(I)c1S(=O)(=O)C(C)C ZINC000587182735 KJ Annotated Anodyne CSc1sc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182745 KJ Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(I)c1S(=O)(=O)C(C)C ZINC000587182785 KJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587182794 KJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587182796 KJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587182803 KJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587182805 KJ Annotated Anodyne CSc1sc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182806 KJ Annotated Bother CSc1sc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182823 KJ Annotated Mild CSc1sc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182825 KJ Annotated Mild COc1cccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c12 ZINC000587182835 KJ Annotated Anodyne CSc1sc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182897 KJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587183007 KJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587183008 KJ Annotated Anodyne CSc1sc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183032 KJ Annotated Anodyne CSc1sc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183036 KJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587183078 KJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587183080 KJ Annotated Anodyne CSc1sc(-c2nc3ccc(Cl)nc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183087 KJ Annotated Anodyne CSc1sc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183123 KJ Annotated Anodyne COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2cc1F ZINC000587183283 KJ Annotated Anodyne CSc1sc(-c2nc3c(C)nc(C)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183295 KJ Annotated Anodyne CSc1sc(-c2nc3cc(Cl)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183344 KJ Annotated Anodyne CSc1sc(-c2nc3ccc(Br)nc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183355 KJ Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c1 ZINC000587183359 KJ Annotated Anodyne CSc1sc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183360 KJ Annotated Anodyne COc1cc(OC)c2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)nc2c1 ZINC000587183367 KJ Annotated Anodyne CSc1sc(-c2nc3cccc(C#N)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183382 KJ Annotated Mild CCOC(=O)Cc1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c1 ZINC000587183475 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c1 ZINC000587183481 KJ Annotated Anodyne CSc1sc(-c2nc3c(Cl)ccnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183488 KJ Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587183496 KJ Annotated Anodyne CC(C)Oc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587183497 KJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)nc2cc1OC ZINC000587183517 KJ Annotated Anodyne CSc1sc(-c2nc3cncc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183526 KJ Annotated Anodyne CSc1sc(-c2nc3cc(Br)ncc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183530 KJ Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(I)c1S(=O)(=O)C(C)C ZINC000587183551 KJ Annotated Anodyne CSc1sc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183553 KJ Annotated Anodyne CSc1sc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(I)c1S(=O)(=O)C(C)C ZINC000587183601 KJ Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(I)c1S(=O)(=O)C(C)C ZINC000587183608 KJ Annotated Anodyne CSc1sc(-c2nc3c(Br)ccnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183610 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4cccc(I)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587183637 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4cccc(I)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587183638 KJ Annotated Anodyne Clc1ncc(I)c2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183920 KJ Annotated Anodyne Clc1ncc(I)c2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183921 KJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587184414 KJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587184415 KJ Annotated Anodyne CC[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184601 KJ Annotated Anodyne CC[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184602 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4nn(CC(=O)O)cc4I)nc3cc21 ZINC000587184616 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4nc(Cl)c[nH]c-4n3)c2o1 ZINC000587184671 KJ Annotated Anodyne CCCOc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184758 KJ Annotated Anodyne CCCOc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184759 KJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587184796 KJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587184797 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cnc(Cl)[nH]c-4n3)c2o1 ZINC000587185082 KJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587185494 KJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587185497 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4nc(Br)c[nH]c-4n3)c2o1 ZINC000587185628 KJ Annotated Anodyne CC[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1cc(I)c(C)n1 ZINC000587185689 KJ Annotated Anodyne CC[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1cc(I)c(C)n1 ZINC000587185690 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Cl)ncnc4[nH]3)c2o1 ZINC000587185720 KJ Annotated Anodyne O=C(O)c1nn(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1I ZINC000587185794 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4cc(I)c(C(=O)O)n4)[nH]c3cc21 ZINC000587185801 KJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587185947 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(F)cnc4[nH]3)c2o1 ZINC000587186061 KJ Annotated Anodyne COC(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2n1 ZINC000587186067 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC)n3cc(I)c(C)n3)nc2c1 ZINC000587186150 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CC)n3cc(I)c(C)n3)nc2c1 ZINC000587186151 KJ Annotated Anodyne COc1cncc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186301 KJ Annotated Anodyne COC(=O)c1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cn1 ZINC000587186307 KJ Annotated Anodyne COc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2n1 ZINC000587186352 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(N)c(N)cc4[nH]3)c2o1 ZINC000587186625 KJ Annotated Anodyne COc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cn1 ZINC000587186628 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2o1 ZINC000587186630 KJ Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccnc(O)c4[nH]3)c2o1 ZINC000587186643 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(S)nc(S)nc4[nH]3)c2o1 ZINC000587186659 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(CCO)cc4[nH]3)c2o1 ZINC000587186704 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2o1 ZINC000587186734 KJ Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186758 KJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc12 ZINC000587186769 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2o1 ZINC000587186772 KJ Annotated Anodyne COc1nccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186831 KJ Annotated Anodyne Brc1cc2[nH]c(-c3nccnc3I)nc2cc1OCc1ccccc1 ZINC000587186872 KJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2o1 ZINC000587186873 KJ Annotated Anodyne O=C(O)c1cc2[nH]c(-c3nccnc3I)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587186881 KJ Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(CO)cc4[nH]3)c2o1 ZINC000587186898 KJ Annotated Anodyne Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000587187015 KJ Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000587187016 KJ Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587188782 KJ Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587188784 KJ Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c[nH]c(=N)[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190111 KJ Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(N)ncnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190117 KJ Annotated Reactive C=C(CN(C)C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587190305 KJ Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(O)nc(O)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190709 KJ Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(O)nc(N)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191399 KJ Annotated Reactive C#CCN(Cc1nc2cc(I)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191715 KJ Annotated Mild CCCCN(Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192729 KJ Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192964 KJ Annotated Anodyne CCCCN(Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193037 KJ Annotated Anodyne CN(CCO)c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000587193130 KJ Annotated Clean C#CCN(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193153 KJ Annotated Mild O=C(O)CCN(CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)Cc1ccccc1 ZINC000587193215 KJ Annotated Anodyne C#CCN(Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193572 KJ Annotated Mild CC1=C(c2ccc3nc(CCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587193721 KJ Annotated Anodyne C#CCN(Cc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193776 KJ Annotated Mild C#CCN(Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193878 KJ Annotated Mild CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587194043 KJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587194044 KJ Annotated Anodyne CN(CCc1nc2cc(I)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194450 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(N(C)C)nc4C)[nH]c3cc21 ZINC000587194519 KJ Annotated Anodyne COC(=O)c1cc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587194944 KJ Annotated Clean Cc1nc(N(C)C)ncc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587195022 KJ Annotated Bother CCCCOc1cc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2cc1Br ZINC000587195161 KJ Annotated Clean O=C(O)CN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195232 KJ Annotated Clean O=C(O)CN(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195567 KJ Annotated Clean O=C(O)CN(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195585 KJ Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(CN(CC(=O)O)Cc5cc6c(c(O)c5O)C(=O)c5ccccc5C6=O)[nH]c4c3)o2)cc1 ZINC000587195732 KJ Annotated Clean C[C@@H](c1ccc(N(C)C)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587196134 KJ Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587196135 KJ Annotated Anodyne O=C(O)CN(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196286 KJ Annotated Clean O=C(O)CN(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196306 KJ Annotated Clean O=C(O)CN(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196323 KJ Annotated Clean O=C(O)CN(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196337 KJ Annotated Clean O=C(O)CN(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196613 KJ Annotated Clean O=C(O)CN(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196773 KJ Annotated Clean CC(C)COc1cc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2cc1Br ZINC000587196796 KJ Annotated Clean O=C(O)CN(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196819 KJ Annotated Clean CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197876 KJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197877 KJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197889 KJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197890 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CN(C[C@H]5CCCO5)C(=O)OC(C)(C)C)[nH]c4c3)cc2)CC1 ZINC000587197958 KJ Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CN(C[C@@H]5CCCO5)C(=O)OC(C)(C)C)[nH]c4c3)cc2)CC1 ZINC000587197968 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 ZINC000587198019 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587198031 KJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587198595 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4N(C)C(=O)c4ccccc4N)[nH]c3c2)cc1 ZINC000587199057 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccccc4N(C)C(=O)c4ccccc4N)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587199091 KJ Annotated Anodyne CCC[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199226 KJ Annotated Anodyne C[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199604 KJ Annotated Anodyne CCC[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199644 KJ Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587199791 KJ Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587199913 KJ Annotated Mild CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587200002 KJ Annotated Reactive C[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200092 KJ Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587200260 KJ Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200361 KJ Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(O)nc(N)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200779 KJ Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(O)nc(N)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200801 KJ Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)cc1 ZINC000587201197 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587201486 KJ Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000587201545 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587201885 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cccc(C(=N)NC(=O)OC(C)(C)C)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587202174 KJ Annotated Anodyne O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587202185 KJ Annotated Anodyne O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587202187 KJ Annotated Anodyne O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587202188 KJ Annotated Anodyne O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587202190 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202357 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202360 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202362 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202364 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202517 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202520 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202524 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202525 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202571 KJ Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202572 KJ Annotated Bother CC[C@H](C)[C@@H](NC(=O)CCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202573 KJ Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202574 KJ Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C)c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202940 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C)c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202949 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C)c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202950 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C)c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202951 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(C)(C)C ZINC000587202961 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(C)(C)C ZINC000587202963 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202995 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202996 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202997 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202998 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203245 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203246 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203247 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203249 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)nc2c1 ZINC000587203272 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)nc2c1 ZINC000587203273 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)nc2c1 ZINC000587203274 KJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)nc2c1 ZINC000587203276 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 ZINC000587203906 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204173 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204184 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204185 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204186 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)cc1 ZINC000587204188 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)cc1 ZINC000587204194 KJ Annotated Anodyne O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCc1ccccc1 ZINC000587204330 KJ Annotated Anodyne O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCc1ccccc1 ZINC000587204331 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587204395 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587204398 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204547 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204557 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204558 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204559 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204790 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204791 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204792 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204793 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)c(C)c(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204857 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)c(C)c(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204858 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)c(C)c(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204859 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)c(C)c(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204860 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Cl)c(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205098 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Cl)c(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205099 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Cl)c(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205102 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Cl)c(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205103 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205261 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205262 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205263 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205264 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205289 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205290 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205291 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205292 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205307 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205308 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205309 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205310 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205311 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205312 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205313 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205314 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)cc(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205405 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)cc(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205406 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)cc(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205407 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)cc(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205408 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205443 KJ Annotated Clean CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205445 KJ Annotated Clean CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205448 KJ Annotated Clean CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205450 KJ Annotated Clean CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205590 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205591 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205593 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205596 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205839 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205844 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205846 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205848 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205905 KJ Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205907 KJ Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205908 KJ Annotated Bother CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206024 KJ Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206031 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206033 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206035 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206037 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206060 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206062 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206066 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206070 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc3ccccc3cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206124 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3ccccc3cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206132 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc3ccccc3cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206135 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3ccccc3cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206139 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206153 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206156 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206157 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206160 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206290 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206291 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206292 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206293 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Br)c(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206294 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@H](CC=C4C[C@H](O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206355 KJ Annotated Anodyne C[C@]12CC[C@@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@@H]2CC[C@@]2(C)c3nc4cccc5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000587206357 KJ Annotated Anodyne C[C@]12CC[C@@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@@H]2CC[C@@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000587206358 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@H](CC=C4C[C@H](O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206359 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Br)c(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206504 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Br)c(C)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206505 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Br)c(C)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206514 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206695 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206699 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206701 KJ Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206703 KJ Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@]2(O)[C@H](O)CO ZINC000587206828 KJ Annotated Anodyne COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587207326 KJ Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587207329 KJ Annotated Clean COC1=CC[C@@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587207331 KJ Annotated Clean COC1=CC[C@@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587207333 KJ Annotated Clean C[C@@]12Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H]12 ZINC000587207957 KJ Annotated Anodyne C[C@@]12Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H]12 ZINC000587207960 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@H]2O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000587207962 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@H]2O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000587207965 KJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)nc3cccc1c23 ZINC000587208929 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3cccc4c3c1-c1ccccc1C4=O)[C@]1(O)C=CO[C@@H]1O2 ZINC000587208954 KJ Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c(Cl)c1 ZINC000587209093 KJ Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c(Cl)c1 ZINC000587209094 KJ Annotated Anodyne CC(=O)[C@@H]1C(=O)C=C2Oc3c(-c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)c(O)c(C)c(O)c3[C@@]2(C)C1=O ZINC000587209465 KJ Annotated Mild CC(=O)[C@@H]1C(=O)C=C2Oc3c(-c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)c(O)c(C)c(O)c3[C@]2(C)C1=O ZINC000587209468 KJ Annotated Mild CC(=O)[C@H]1C(=O)C=C2Oc3c(-c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)c(O)c(C)c(O)c3[C@]2(C)C1=O ZINC000587209472 KJ Annotated Mild CC(=O)[C@H]1C(=O)C=C2Oc3c(-c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)c(O)c(C)c(O)c3[C@@]2(C)C1=O ZINC000587209476 KJ Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C(=O)[C@@]12C ZINC000587209962 KJ Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C(=O)[C@]12C ZINC000587209963 KJ Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C(=O)[C@@]12C ZINC000587209964 KJ Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C(=O)[C@]12C ZINC000587209965 KJ Annotated Mild CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2cccc4c2c3CC4)c(Cl)c1COCC(F)(F)F ZINC000587210149 KJ Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2cccc4c2c3CC4)c(Cl)c1COCC(F)(F)F ZINC000587210150 KJ Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)CC7 ZINC000587210368 KJ Annotated Anodyne CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](c2cnc3cccc4c3c2CC4)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O ZINC000587212046 KJ Annotated Anodyne CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](c2cnc3cccc4c3c2CC4)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O ZINC000587212049 KJ Annotated Anodyne CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](c2cnc3cccc4c3c2CC4)C[C@@H](C)[C@@H](O[C@@H]2CC[C@@H](N(C)C)[C@H](C)O2)C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O ZINC000587212050 KJ Annotated Anodyne CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](c2cnc3cccc4c3c2CC4)C[C@@H](C)[C@@H](O[C@@H]2CC[C@@H](N(C)C)[C@@H](C)O2)C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O ZINC000587212053 KJ Annotated Anodyne C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4cccc5c4c3CC5)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587213985 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4cccc5c4c3CC5)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587213991 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4cccc5c4c3CC5)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587213995 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4cccc5c4c3CC5)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587213999 KJ Annotated Mild COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]2O)CC5 ZINC000587215089 KJ Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CC(=O)CO4)[C@H]13)CC5 ZINC000587215900 KJ Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c21 ZINC000587218996 KJ Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c21 ZINC000587219001 KJ Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c21 ZINC000587219005 KJ Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c21 ZINC000587219006 KJ Annotated Clean CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587219285 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587219286 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587219791 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587219792 KJ Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587221162 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587221199 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587221206 KJ Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587221253 KJ Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587221255 KJ Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c3cc21 ZINC000587223059 KJ Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c3cc21 ZINC000587223062 KJ Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c3cc21 ZINC000587223064 KJ Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c3cc21 ZINC000587223066 KJ Annotated Clean COC(=O)c1cc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587223115 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587223661 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587223663 KJ Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587226296 KJ Annotated Bother C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587226301 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNC(=O)CNC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587226327 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587226415 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587226418 KJ Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587227080 KJ Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587227521 KJ Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587227522 KJ Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587227777 KJ Annotated Anodyne O=C(NCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCc1ccccc1 ZINC000587227843 KJ Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587227890 KJ Annotated Mild CCCCCCCC(=O)NCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587228076 KJ Annotated Mild CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587228108 KJ Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNCCNCC(=O)O)[nH]c21 ZINC000587228401 KJ Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNCCNCC(=O)O)[nH]c3cc21 ZINC000587228410 KJ Annotated Clean CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1 ZINC000587228450 KJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000587228452 KJ Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587228454 KJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587228527 KJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587228558 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cccc(CNc5ncccc5C#N)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587229303 KJ Annotated Mild COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587229335 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587229760 KJ Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587229788 KJ Annotated Anodyne CC(C)COc1cc2nc(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587230185 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587230327 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587230648 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cccnc4NCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587230651 KJ Annotated Anodyne CCCCCOc1cc2nc(CCC(=O)Nc3cccc(C(=O)NCCOC)c3)[nH]c2cc1Br ZINC000587230867 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587231091 KJ Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587231195 KJ Annotated Bother CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587231508 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587231673 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587231681 KJ Annotated Anodyne CC(C)CCOc1cc2nc(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587231709 KJ Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587231744 KJ Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587231794 KJ Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587231795 KJ Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587231796 KJ Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587231797 KJ Annotated Bother COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587231856 KJ Annotated Anodyne CCCCOc1cc2nc(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587231881 KJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587231886 KJ Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587232262 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587232357 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587233435 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587233446 KJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCC(=O)CC1 ZINC000587234532 KJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCC(=O)CC1 ZINC000587234667 KJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)c2)c1 ZINC000587234892 KJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c2)c1 ZINC000587235018 KJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)c2)c1 ZINC000587235132 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587235267 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587235482 KJ Annotated Anodyne Nc1nc(O)c2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587236638 KJ Annotated Anodyne Nc1nc(O)c2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587236641 KJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCC(O)CC1 ZINC000587236690 KJ Annotated Anodyne O=C(NC1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236952 KJ Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237001 KJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(NC(=O)OC(C)(C)C)CCC(O)CC5)[nH]c4c3)o2)cc1 ZINC000587237018 KJ Annotated Anodyne Nc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1N ZINC000587237039 KJ Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237060 KJ Annotated Anodyne COC(=O)c1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2cc1OC ZINC000587237112 KJ Annotated Anodyne Nc1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc12 ZINC000587237154 KJ Annotated Anodyne NC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237303 KJ Annotated Anodyne COC(=O)c1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cn1 ZINC000587237312 KJ Annotated Anodyne O=C(NC1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237379 KJ Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1OC ZINC000587237457 KJ Annotated Anodyne O=C(N[C@@]1(c2nc3c(O)nc(O)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237462 KJ Annotated Anodyne O=C(N[C@]1(c2nc3c(O)nc(O)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237463 KJ Annotated Anodyne N=c1[nH]cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc-2[nH]1 ZINC000587237608 KJ Annotated Anodyne N=c1[nH]cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc-2[nH]1 ZINC000587237609 KJ Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2n1 ZINC000587237648 KJ Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237649 KJ Annotated Anodyne O=C1COc2cc3[nH]c(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)nc3cc2N1 ZINC000587237658 KJ Annotated Anodyne O=C(NC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237663 KJ Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237667 KJ Annotated Anodyne N=C(N)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237692 KJ Annotated Anodyne O=C(NC1(c2nc3nc(Br)c[nH]c-3n2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237694 KJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCC(O)CC1 ZINC000587237793 KJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc12 ZINC000587237865 KJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237923 KJ Annotated Anodyne O=C(NC1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237948 KJ Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(N)ncnc3[nH]2)cc1OC ZINC000587238000 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587238025 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587238027 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587238028 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587238029 KJ Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(O)nc(N)nc3[nH]2)cc1OC ZINC000587238045 KJ Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238190 KJ Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238238 KJ Annotated Bother O=C(NC1(c2nc3ccnc(O)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238258 KJ Annotated Anodyne O=C(NC1(c2nc3c(S)nc(S)nc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238273 KJ Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c[nH]c(=N)[nH]c-3n2)cc1OC ZINC000587238719 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238797 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238798 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238799 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238800 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)cc1 ZINC000587239171 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)cc1 ZINC000587239172 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)cc1 ZINC000587239173 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)cc1 ZINC000587239174 KJ Annotated Anodyne O=C(NC1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239286 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587239441 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587239442 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587239443 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587239445 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587239555 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587239558 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587239560 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587239561 KJ Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239663 KJ Annotated Bother CC1=C(c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3c2)NNC(=O)C1 ZINC000587240177 KJ Annotated Anodyne O=C1CCc2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3cc2N1 ZINC000587240259 KJ Annotated Anodyne CN1CCN(c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3c2)CC1 ZINC000587241067 KJ Annotated Anodyne CS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587241073 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241127 KJ Annotated Clean CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241128 KJ Annotated Clean CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241129 KJ Annotated Clean CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241130 KJ Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(O)cc(NC(=O)OC(C)(C)C)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587242550 KJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587244480 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 ZINC000587244506 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccc(NC(=O)c5cnoc5C)cc4)[nH]c3c2)cc1 ZINC000587245782 KJ Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cn1 ZINC000587247084 KJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)C2 ZINC000587247310 KJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)C2 ZINC000587247314 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CC[C@@H](N)C4)[nH]c3cc21 ZINC000587247648 KJ Annotated Anodyne Nc1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1C(=O)O ZINC000587248204 KJ Annotated Bother Nc1cc(C(=O)O)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587248690 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c3cc21 ZINC000587248887 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(N)cccc4O)[nH]c3cc21 ZINC000587249209 KJ Annotated Anodyne Nc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1CC(=O)O ZINC000587249395 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3cc21 ZINC000587249755 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(N)c4C(=O)O)[nH]c3cc21 ZINC000587250302 KJ Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587250341 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(N)cccc4C(=O)O)[nH]c3cc21 ZINC000587251078 KJ Annotated Anodyne Nc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c2ccccc2c1 ZINC000587252231 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(N)cc5ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587252496 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc4ccccc4c3N)nc1-2 ZINC000587253113 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4cccnc4N)[nH]c3cc21 ZINC000587253422 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc5ccccc5c4N)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587254212 KJ Annotated Anodyne COc1cncc(N)c1-c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587254415 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cncc(N)c4)[nH]c3cc21 ZINC000587254891 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2nc(Cl)c[nH]c-2n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255950 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255967 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)ncnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256080 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cnc(Cl)[nH]c-2n1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256225 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(=O)O ZINC000587256233 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CCC(N)CC4)[nH]c3cc21 ZINC000587256320 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256473 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2nc(Cl)c[nH]c-2n1)C(=O)O ZINC000587256530 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Cl)ncnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256595 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587256834 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)ncnc2[nH]1 ZINC000587256836 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2nc(Cl)c[nH]c-2n1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256842 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587256939 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cnc(Cl)[nH]c-2n1)C(=O)O ZINC000587256962 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)C(=O)O ZINC000587256966 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587257003 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cnc(Cl)[nH]c-2n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257122 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)O ZINC000587257124 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(O)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257127 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Cl)ncnc2[nH]1)C(=O)O ZINC000587257129 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cnccc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257135 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C#N)c(C#N)cc2[nH]1)C(=O)O ZINC000587257176 KJ Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cncc(OC)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257181 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257189 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(C)ccnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257203 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(F)cnc2[nH]1)C(=O)O ZINC000587257231 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cnccc2[nH]1)C(=O)O ZINC000587257234 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cnccc2[nH]1 ZINC000587257235 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257243 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cnccc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257245 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587257248 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=N)N)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257258 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(O)c2[nH]1)C(=O)O ZINC000587257261 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)OC)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257263 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(O)cc2[nH]1)C(=O)O ZINC000587257267 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cncc(OC)c2[nH]1 ZINC000587257270 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccnc(OC)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257276 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(F)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257278 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cncc(OC)c2[nH]1)C(=O)O ZINC000587257296 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C)nc2[nH]1)C(=O)O ZINC000587257304 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587257305 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(=O)O ZINC000587257319 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)C(=O)O ZINC000587257320 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccnc(OC)c2[nH]1 ZINC000587257333 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OC)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257334 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257339 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccnc2[nH]1 ZINC000587257346 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)C(=O)O ZINC000587257348 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257350 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C)cnc2[nH]1)C(=O)O ZINC000587257377 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257383 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cncc(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257386 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccnc(OC)c2[nH]1)C(=O)O ZINC000587257407 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cncc(C)c2[nH]1)C(=O)O ZINC000587257414 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587257426 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)ncc2[nH]1 ZINC000587257433 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587257440 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587257442 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(-n3cnnn3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257467 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587257479 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(=O)O ZINC000587257480 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(C)(=O)=O)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257498 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587257513 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257525 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257542 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257543 KJ Annotated Anodyne C=CC[C@@](C)(N)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587257546 KJ Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257575 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587257584 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(O)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257586 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC)ncc2[nH]1)C(=O)O ZINC000587257589 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(C)ccnc2[nH]1)C(=O)O ZINC000587257602 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)C(=O)O ZINC000587257603 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(N)ccnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257604 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(=O)O ZINC000587257605 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(N)=O)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257619 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(=N)N)cc2[nH]1)C(=O)O ZINC000587257638 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257662 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C#N)c(C#N)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257666 KJ Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257681 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(=N)N)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257694 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccnc(O)c2[nH]1 ZINC000587257696 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)ncc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257712 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257733 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587257743 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccnc(OC)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257744 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257749 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587257811 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(S)nc(S)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257812 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257845 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC)ncc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257860 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257861 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(N)ccnc2[nH]1 ZINC000587257868 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257877 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(OC)nc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257893 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(C)nccc2[nH]1)C(=O)O ZINC000587257907 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OCC(=O)N3)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257921 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cncc([N+](=O)[O-])c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257925 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587257938 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cncc(OC)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257945 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccnc2[nH]1)C(=O)O ZINC000587257950 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587257954 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(=O)O ZINC000587257960 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(N)c(N)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257967 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)O ZINC000587257979 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(OC)nc2[nH]1)C(=O)O ZINC000587257981 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)C(=O)O ZINC000587257984 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257990 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(C)nccc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257991 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587257992 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(N)=O)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258005 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258006 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258018 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(=O)O ZINC000587258052 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(=O)O ZINC000587258058 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)O)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258065 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258073 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)C(=O)O ZINC000587258079 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OC)nc2[nH]1 ZINC000587258083 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(CO)cc2[nH]1)C(=O)O ZINC000587258085 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587258090 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587258127 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587258135 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(C(=O)OC)ccnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258138 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(CO)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258142 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)C(=O)O ZINC000587258152 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587258157 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587258179 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258185 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C)nc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258190 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258191 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OC)ncc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258194 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccnc(O)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258198 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H](N)c4cccc5ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587258524 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@H](N)c3cccc4ccccc34)nc1-2 ZINC000587258603 KJ Annotated Anodyne COc1cccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587258904 KJ Annotated Mild COc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1F ZINC000587258907 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587258915 KJ Annotated Mild COc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1C ZINC000587258916 KJ Annotated Mild Cc1cc(F)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587258927 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587258931 KJ Annotated Mild CCOC(=O)c1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587258969 KJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587258977 KJ Annotated Mild COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587258981 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587259008 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587259037 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587259155 KJ Annotated Mild CC(=O)c1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587259199 KJ Annotated Mild CCOC(=O)Cc1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587259356 KJ Annotated Mild Cc1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587259360 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587259416 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cncc(Cl)c2[nH]1 ZINC000587259421 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(F)cc2[nH]1 ZINC000587259452 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587259469 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587259482 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587259504 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587259521 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587259529 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587259531 KJ Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)C(C)C)[nH]c3cc21 ZINC000587259605 KJ Annotated Anodyne N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587259764 KJ Annotated Mild Cc1cc2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587259793 KJ Annotated Mild N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587259823 KJ Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587259841 KJ Annotated Anodyne N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000587259877 KJ Annotated Mild Cc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1F ZINC000587259879 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587259898 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587259920 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000587259995 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587260002 KJ Annotated Mild N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587260004 KJ Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587260007 KJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc12 ZINC000587260015 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587260086 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587260088 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587260113 KJ Annotated Mild Cc1c(F)ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587260128 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587260137 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cccc(F)c2[nH]1 ZINC000587260161 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587260176 KJ Annotated Mild COc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1OC ZINC000587260195 KJ Annotated Mild Cc1cc2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c(C)n1 ZINC000587260348 KJ Annotated Mild COc1cc(OC)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587260361 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587260363 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587260399 KJ Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587260448 KJ Annotated Mild Cc1cccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587260454 KJ Annotated Mild N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587260459 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCCCCCN=[N+]=[N-])[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587260681 KJ Annotated Clean COc1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260836 KJ Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261989 KJ Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587262238 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587262239 KJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262580 KJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C4CCN(c5ccc([N+](=O)[O-])c(C(N)=O)c5)CC4)[nH]c3c2)cc1 ZINC000587262585 KJ Annotated Bother Cc1cc(C#Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262651 KJ Annotated Mild NC(=O)c1cc(N2CCC(c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262897 KJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262927 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@H](C)[C@H]4C[N+](=O)[O-])[nH]c3cc21 ZINC000587263036 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3cc21 ZINC000587263037 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3cc21 ZINC000587263038 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@H]4C[N+](=O)[O-])[nH]c3cc21 ZINC000587263039 KJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263160 KJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(C5CCN(c6ccc([N+](=O)[O-])c(C(N)=O)c6)CC5)[nH]c4c3)o2)cc1 ZINC000587263190 KJ Annotated Bother CCCOc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br ZINC000587263236 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587263250 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587263251 KJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263285 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587263394 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587263396 KJ Annotated Bother CCCCOc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br ZINC000587263412 KJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263428 KJ Annotated Bother COc1cc(OCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263439 KJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587263542 KJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587263543 KJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587263544 KJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587263545 KJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587263547 KJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587263548 KJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587263549 KJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587263550 KJ Annotated Bother COC(=O)c1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587263557 KJ Annotated Bother COC(=O)c1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587263558 KJ Annotated Bother COC(=O)c1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587263559 KJ Annotated Bother COC(=O)c1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587263560 KJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263585 KJ Annotated Bother CC(C)Oc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br ZINC000587263602 KJ Annotated Bother CC(C)COc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br ZINC000587263644 KJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263648 KJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587263808 KJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587263811 KJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587263813 KJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587263815 KJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587263842 KJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587263843 KJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587263844 KJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587263845 KJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587263955 KJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587263957 KJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587263959 KJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587263962 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587263982 KJ Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587264121 KJ Annotated Bother COCCOc1ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587264154 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587264639 KJ Annotated Bother CC(C)COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587264640 KJ Annotated Bother CC(C)COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587264641 KJ Annotated Bother CC(C)COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587264642 KJ Annotated Bother CC(C)COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587264644 KJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])nc2c1 ZINC000587264868 KJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])nc2c1 ZINC000587264869 KJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587264910 KJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587264912 KJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587264914 KJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587264915 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264981 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587265039 KJ Annotated Bother CCCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587265099 KJ Annotated Bother CCCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587265104 KJ Annotated Bother CCCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587265105 KJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(Br)cnc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265126 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587265306 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587265307 KJ Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587265365 KJ Annotated Bother CCCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587265388 KJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587265435 KJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587265438 KJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587265439 KJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587265440 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265444 KJ Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265491 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587265613 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265624 KJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587265639 KJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587265640 KJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587265642 KJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587265645 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265809 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587265816 KJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587265819 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265959 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(Br)ccc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587266010 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Cl)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587266020 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587266256 KJ Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587266312 KJ Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587266314 KJ Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587266316 KJ Annotated Bother CC(C)COc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587266317 KJ Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587266319 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587266321 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587266624 KJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(CCOCCOCCOCCOCCNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587266695 KJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@H](C)O)[nH]c4c3)o2)cc1 ZINC000587266700 KJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@H](Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@H](C)O)[nH]c4c3)o2)cc1 ZINC000587266701 KJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@H](Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@H](C)O)[nH]c4c3)o2)cc1 ZINC000587266702 KJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@H](C)O)[nH]c4c3)o2)cc1 ZINC000587266704 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587266814 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587266879 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587266897 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587267033 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587267035 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cccc(OCc4ccccc4)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587267078 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587267124 KJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CCOCCOCCOCCOCCNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587267128 KJ Annotated Bother CCCOc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587267178 KJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c3c2)cc1 ZINC000587267220 KJ Annotated Bother COC(=O)c1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587267239 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587267277 KJ Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587267375 KJ Annotated Bother CC(C)Oc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587267453 KJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)c1[N+](=O)[O-] ZINC000587267522 KJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267636 KJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587267752 KJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587267753 KJ Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587267894 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587267950 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587268232 KJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(I)cnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268266 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3cc21 ZINC000587268954 KJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc1-2 ZINC000587269037 KJ Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587269314 KJ Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587269338 KJ Annotated Bother O=C(O)c1cc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587269633 KJ Annotated Bother CC(C)CCOc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587270035 KJ Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)nn2)c1 ZINC000587270274 KJ Annotated Bother N[C@@H](CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270596 KJ Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587270662 KJ Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 ZINC000587270906 KJ Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 ZINC000587270997 KJ Annotated Bother N[C@@H](CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271047 KJ Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587272277 KJ Annotated Reactive O=C(NCC(=O)c1c(CO)oc2cc(Br)cnc12)OCC1c2ccccc2-c2ccccc21 ZINC000587272902 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3cc21 ZINC000587272938 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3cc21 ZINC000587273032 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3cc21 ZINC000587273033 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3cc21 ZINC000587273232 KJ Annotated Bother O=C(O)c1cc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587273740 KJ Annotated Bother Cc1nn(Cc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)o2)c(C)c1Br ZINC000587274511 KJ Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587274690 KJ Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587274693 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3cc21 ZINC000587275883 KJ Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3cc21 ZINC000587275884 KJ Annotated Bother O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276246 KJ Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000587276476 KJ Annotated Anodyne COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)c3c(CO)oc4cc(Br)cnc34)c2n1 ZINC000587276680 KJ Annotated Anodyne O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277019 KJ Annotated Anodyne C[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277582 KJ Annotated Bother C[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277583 KJ Annotated Bother O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280554 KJ Annotated Bother O=C(Cl)CCOCC(COCCC(=O)Cl)(COCCC(=O)Cl)COCCC(=O)c1coc2ccccc12 ZINC000587280722 KJ Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)c2C)ccc1Br ZINC000587282523 KJ Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)c2C)ccc1Br ZINC000587282524 KJ Annotated Reactive C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587283142 KJ Annotated Reactive C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587283149 KJ Annotated Reactive Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3Br)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O4)CCC2 ZINC000587288123 KJ Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3Br)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O4)CCC2 ZINC000587288124 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](Cc2ccnc4ccccc24)(c2ccc(C(F)(F)F)cc2)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587288127 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](Cc2ccnc4ccccc24)(c2ccc(C(F)(F)F)cc2)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587288128 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2c(Sc4cccc(C(F)(F)F)c4)nc4sccn24)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587288781 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2c(Sc4cccc(C(F)(F)F)c4)nc4sccn24)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587288783 KJ Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587289177 KJ Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587289180 KJ Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c(Br)s1 ZINC000587289713 KJ Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c(Br)s1 ZINC000587289716 KJ Annotated Anodyne CC(C)[S@@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1F ZINC000587289780 KJ Annotated Anodyne CC(C)[S@@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1F ZINC000587289786 KJ Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1F ZINC000587289789 KJ Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1F ZINC000587289792 KJ Annotated Anodyne COCCOC(=O)[C@@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587289987 KJ Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587289988 KJ Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587289989 KJ Annotated Mild COCCOC(=O)[C@@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587289990 KJ Annotated Mild O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(SCc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587290209 KJ Annotated Bother O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(SCc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587290214 KJ Annotated Bother CC(=O)O[C@]1([C@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587290629 KJ Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587290636 KJ Annotated Mild COc1ccc([C@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587290886 KJ Annotated Mild COc1ccc([C@@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587290889 KJ Annotated Mild O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](Cc2ccc4ccccc4n2)(c2ccc(C(F)(F)F)cc2)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587291317 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](Cc2ccc4ccccc4n2)(c2ccc(C(F)(F)F)cc2)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587291318 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Sc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587291351 KJ Annotated Bother O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Sc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587291352 KJ Annotated Bother CC(=O)O[C@]1([C@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587291863 KJ Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587291864 KJ Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2)cc1 ZINC000587293102 KJ Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2)cc1 ZINC000587293103 KJ Annotated Mild N#C[C@H](c1ccc(F)cc1)c1ccc([C@]2(c3ccccc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587293141 KJ Annotated Mild N#C[C@H](c1ccc(F)cc1)c1ccc([C@@]2(c3ccccc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587293144 KJ Annotated Mild N#C[C@@H](c1ccc(F)cc1)c1ccc([C@]2(c3ccccc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587293145 KJ Annotated Mild N#C[C@@H](c1ccc(F)cc1)c1ccc([C@@]2(c3ccccc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587293148 KJ Annotated Mild CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587293574 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587293576 KJ Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@]2(c3ccccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587294988 KJ Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3ccccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587294991 KJ Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3ccccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587294995 KJ Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@@]2(c3ccccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587294998 KJ Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587295081 KJ Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587295084 KJ Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587295086 KJ Annotated Bother CN1CCCC[C@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587295088 KJ Annotated Bother CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@@]2(c3cccc(F)c3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587295123 KJ Annotated Anodyne CC(C)(C)[C@H]1CCc2c(sc(N)c2[C@]2(c3cccc(F)c3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587295130 KJ Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@]2(c3cccc(F)c3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587295132 KJ Annotated Anodyne CC(C)(C)[C@H]1CCc2c(sc(N)c2[C@@]2(c3cccc(F)c3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587295134 KJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c2C(=O)[C@H]3[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587295609 KJ Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c2C(=O)[C@H]3[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587295610 KJ Annotated Reactive O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@]2(C(=O)[C@@H](c4ccc(NC5CCCC5)c(O)c4)Oc4c2ccc2ccccc42)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587295688 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@]2(C(=O)[C@@H](c4ccc(NC5CCCC5)c(O)c4)Oc4c2ccc2ccccc42)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587295692 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@]2(C(=O)[C@H](c4ccc(NC5CCCC5)c(O)c4)Oc4c2ccc2ccccc42)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587295695 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@]2(C(=O)[C@H](c4ccc(NC5CCCC5)c(O)c4)Oc4c2ccc2ccccc42)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587295702 KJ Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587297397 KJ Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587297398 KJ Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587298574 KJ Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587298583 KJ Annotated Bother Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)c2cc1C ZINC000587299002 KJ Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)c2cc1C ZINC000587299009 KJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@]5(Oc6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc7c6C(=O)[C@H]5[C@@H](c5ccc(O)cc5)O7)[C@@]4(C)CC[C@@H]32)C1 ZINC000587305890 KJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@]5(Oc6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc7c6C(=O)[C@H]5[C@@H](c5ccc(O)cc5)O7)[C@@]4(C)CC[C@@H]32)C1 ZINC000587305896 KJ Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587306554 KJ Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587306560 KJ Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587306857 KJ Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587306861 KJ Annotated Mild CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3)CC(OC)=CC4 ZINC000587306928 KJ Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3)CC(OC)=CC4 ZINC000587306933 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)[C@@]12C ZINC000587307252 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)[C@@]12C ZINC000587307259 KJ Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c2C(=O)[C@H]3[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587307524 KJ Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c2C(=O)[C@H]3[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587307527 KJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c2C(=O)[C@H]3[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587307571 KJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c2C(=O)[C@H]3[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587307574 KJ Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587308205 KJ Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587308212 KJ Annotated Mild C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587311615 KJ Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587311621 KJ Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587311628 KJ Annotated Mild C[C@@]1([C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587311629 KJ Annotated Mild C[C@@]1([C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]32C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587311633 KJ Annotated Mild C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587311640 KJ Annotated Mild C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587311897 KJ Annotated Mild C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587311901 KJ Annotated Mild C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@]4(CC[C@]3(C)[C@H]1CC2)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)[C@H]4[C@@H](c1ccc(O)cc1)O2 ZINC000587311904 KJ Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@@]4(CC[C@]3(C)[C@H]1CC2)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)[C@H]4[C@@H](c1ccc(O)cc1)O2 ZINC000587311905 KJ Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312275 KJ Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312276 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@]2(C(c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c42)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312605 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@]2(C(c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c42)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312608 KJ Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312671 KJ Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312672 KJ Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312673 KJ Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312674 KJ Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312675 KJ Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312676 KJ Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@@H]1Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312890 KJ Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@H]1Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587312892 KJ Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587313103 KJ Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587313104 KJ Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587313186 KJ Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587313189 KJ Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@@]2(c4ccccc4)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O5)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587314071 KJ Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@]2(c4ccccc4)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O5)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587314075 KJ Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@@]2(c4ccccc4)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O5)O[C@]2(C)CC[C@H]1[C@H]3C2 ZINC000587314079 KJ Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@]2(c4ccccc4)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O5)O[C@]2(C)CC[C@H]1[C@H]3C2 ZINC000587314082 KJ Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@@H]3CC[C@]12C)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc2c1C(=O)[C@H]5[C@@H](c1ccc(O)cc1)O2 ZINC000587314415 KJ Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)[C@H]5[C@@H](c1ccc(O)cc1)O2 ZINC000587314416 KJ Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@]12C)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc2c1C(=O)[C@H]5[C@@H](c1ccc(O)cc1)O2 ZINC000587314417 KJ Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@@]12C)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc2c1C(=O)[C@H]5[C@@H](c1ccc(O)cc1)O2 ZINC000587314419 KJ Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)[C@H]5[C@@H](c1ccc(O)cc1)O2 ZINC000587314422 KJ Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@@H]3CC[C@@]12C)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc2c1C(=O)[C@H]5[C@@H](c1ccc(O)cc1)O2 ZINC000587314424 KJ Annotated Anodyne CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c([C@]5(c6ccccc6)Oc6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc7c6C(=O)[C@H]5[C@@H](c5ccc(O)cc5)O7)c(O)c4[C@@H]1[C@@H]23 ZINC000587314957 KJ Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@@]4(c5ccccc5)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587314959 KJ Annotated Anodyne CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c([C@@]5(c6ccccc6)Oc6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc7c6C(=O)[C@H]5[C@@H](c5ccc(O)cc5)O7)c(O)c4[C@@H]1[C@@H]23 ZINC000587314961 KJ Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@]4(c5ccccc5)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587314963 KJ Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@@]1(C3)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587315740 KJ Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@]1(C3)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587315744 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cc4ccccc4nc2Sc2nc4ccccc4s2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587317360 KJ Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cc4ccccc4nc2Sc2nc4ccccc4s2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587317363 KJ Annotated Anodyne C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587317465 KJ Annotated Anodyne C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587317468 KJ Annotated Anodyne C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587317469 KJ Annotated Anodyne C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587317472 KJ Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@]1(C3)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587317514 KJ Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@]1(C3)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587317515 KJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1CSc1nc2ccccc2s1 ZINC000587317655 KJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1CSc1nc2ccccc2s1 ZINC000587317660 KJ Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc7c6C(=O)[C@H]5[C@@H](c5ccc(O)cc5)O7)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587318726 KJ Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc7c6C(=O)[C@H]5[C@@H](c5ccc(O)cc5)O7)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587318730 KJ Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@@]5(Oc6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc7c6C(=O)[C@H]5[C@@H](c5ccc(O)cc5)O7)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587318733 KJ Annotated Anodyne CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587318736 KJ Annotated Reactive C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@@]5(Oc6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc7c6C(=O)[C@H]5[C@@H](c5ccc(O)cc5)O7)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587318737 KJ Annotated Anodyne CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587318738 KJ Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587318740 KJ Annotated Reactive CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587318741 KJ Annotated Reactive CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587318754 KJ Annotated Mild CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587318756 KJ Annotated Mild Cc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587319794 KJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587319796 KJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587319800 KJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587319803 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587320386 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587320391 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587320393 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587320396 KJ Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1 ZINC000587320408 KJ Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1 ZINC000587320412 KJ Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1 ZINC000587320415 KJ Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c1 ZINC000587320418 KJ Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587320493 KJ Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587320500 KJ Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587320503 KJ Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587320505 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587321543 KJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587321548 KJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587321550 KJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587321553 KJ Annotated Reactive C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587322259 KJ Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587322260 KJ Annotated Anodyne C[C@@H]1Oc2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2NC1=O ZINC000587322648 KJ Annotated Reactive C[C@@H]1Oc2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2NC1=O ZINC000587322649 KJ Annotated Reactive C[C@@H]1Oc2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2NC1=O ZINC000587322652 KJ Annotated Reactive C[C@@H]1Oc2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2NC1=O ZINC000587322653 KJ Annotated Reactive O=C1[C@@H]2[C@@H]3C[C@H]4[C@H]([C@H](Br)[C@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@@H]42)[C@@H]3[C@H]1Br ZINC000587322797 KJ Annotated Reactive O=C1[C@H]2[C@@H]3C[C@H]4[C@H]([C@H](Br)[C@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@@H]24)[C@@H]3[C@H]1Br ZINC000587322801 KJ Annotated Reactive O=C1[C@H](Br)[C@H]2[C@H]3[C@H](Br)[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@H]4[C@H]3C[C@H]2[C@@H]14 ZINC000587322808 KJ Annotated Reactive O=C1[C@H]2[C@@H]3C[C@H]4[C@H]([C@H](Br)[C@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@H]24)[C@@H]3[C@H]1Br ZINC000587322810 KJ Annotated Reactive O=C(CCl)NC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323710 KJ Annotated Reactive O=C(CCl)NC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323711 KJ Annotated Reactive O=C(CCl)NC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323712 KJ Annotated Reactive O=C(CCl)NC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323713 KJ Annotated Reactive N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324217 KJ Annotated Reactive N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324219 KJ Annotated Reactive N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324221 KJ Annotated Reactive N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324222 KJ Annotated Reactive CN1CCN(C[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587324377 KJ Annotated Anodyne CN1CCN(C[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587324384 KJ Annotated Anodyne CN1CCN(C[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587324422 KJ Annotated Anodyne CN1CCN(C[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587324424 KJ Annotated Anodyne COCCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324426 KJ Annotated Anodyne COCCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324431 KJ Annotated Anodyne COCCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324433 KJ Annotated Anodyne COCCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324436 KJ Annotated Anodyne COCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324466 KJ Annotated Anodyne COCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324468 KJ Annotated Anodyne COCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324471 KJ Annotated Anodyne COCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324473 KJ Annotated Anodyne COC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587324499 KJ Annotated Reactive COC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587324501 KJ Annotated Reactive COC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587324503 KJ Annotated Reactive COC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587324504 KJ Annotated Reactive CCn1cc(Br)c([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587324574 KJ Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587324575 KJ Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587324576 KJ Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587324577 KJ Annotated Anodyne COCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587324726 KJ Annotated Anodyne COCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587324727 KJ Annotated Anodyne COCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587324728 KJ Annotated Anodyne COCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587324729 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2CCOCC2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325107 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2CCOCC2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325109 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2CCOCC2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325111 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2CCOCC2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325113 KJ Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325820 KJ Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325821 KJ Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325822 KJ Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325823 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325828 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325829 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325830 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325831 KJ Annotated Anodyne O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326043 KJ Annotated Anodyne O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326046 KJ Annotated Anodyne O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326050 KJ Annotated Anodyne O=C(O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326053 KJ Annotated Anodyne CC(C)(C)[C@@]1(Cn2nnn(-c3ccccc3Cl)c2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327185 KJ Annotated Anodyne CC(C)(C)[C@@]1(Cn2nnn(-c3ccccc3Cl)c2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327190 KJ Annotated Anodyne CC(C)(C)[C@]1(Cn2nnn(-c3ccccc3Cl)c2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327192 KJ Annotated Anodyne CC(C)(C)[C@]1(Cn2nnn(-c3ccccc3Cl)c2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327194 KJ Annotated Anodyne NC(=O)C1CCN(C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587327201 KJ Annotated Anodyne NC(=O)C1CCN(C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587327202 KJ Annotated Anodyne NC(=O)C1CCN(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587327206 KJ Annotated Anodyne NC(=O)C1CCN(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587327208 KJ Annotated Anodyne COC1(OC)[C@@]2(Cl)[C@@H]3C(=O)[C@@H]4[C@H]5[C@](Cl)([C@]1(Cl)[C@H]3[C@@]51Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@]42Cl ZINC000587327394 KJ Annotated Anodyne COC1(OC)[C@@]2(Cl)[C@@H]3C(=O)[C@@H]4[C@@H]5[C@]6(Oc7cc(O)ccc7C(=O)[C@@H]6c6ccc(F)cc6)[C@@H]3[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587327395 KJ Annotated Anodyne COC1(OC)[C@@]2(Cl)[C@@H]3[C@H]4C(=O)[C@@H]5[C@@H]([C@@]2(Cl)[C@]5(Cl)[C@]41Cl)[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327396 KJ Annotated Anodyne COC1(OC)[C@@]2(Cl)[C@@H]3C(=O)[C@@H]4[C@@H]5[C@]6(Oc7cc(O)ccc7C(=O)[C@@H]6c6ccc(F)cc6)[C@@H]3[C@@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587327397 KJ Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328541 KJ Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328551 KJ Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328553 KJ Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccc(F)cc3)s[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328556 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328650 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328652 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328654 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328657 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329150 KJ Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000587329155 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329156 KJ Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000587329157 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329158 KJ Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000587329160 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329161 KJ Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000587329164 KJ Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587329816 KJ Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587329819 KJ Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587329822 KJ Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587329824 KJ Annotated Anodyne C[C@H](Oc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)NN ZINC000587330434 KJ Annotated Reactive C[C@H](Oc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)NN ZINC000587330442 KJ Annotated Reactive C[C@H](Oc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)NN ZINC000587330445 KJ Annotated Reactive C[C@H](Oc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)NN ZINC000587330448 KJ Annotated Reactive CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330653 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330654 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330655 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330657 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(C(O)(O)C(F)(F)F)=COc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587330831 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(C(O)(O)C(F)(F)F)=COc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587330838 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(C(O)(O)C(F)(F)F)=COc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587330840 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(C(O)(O)C(F)(F)F)=COc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587330843 KJ Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330956 KJ Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330957 KJ Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330960 KJ Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330961 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587330972 KJ Annotated Bother O=C1c2ccc(O)cc2O[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587330974 KJ Annotated Bother O=C1c2ccc(O)cc2O[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587330978 KJ Annotated Bother O=C1c2ccc(O)cc2O[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587330984 KJ Annotated Bother CCOC(=O)c1ncn(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587331195 KJ Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587331198 KJ Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587331199 KJ Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587331202 KJ Annotated Anodyne C[C@@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331329 KJ Annotated Reactive C[C@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331335 KJ Annotated Reactive C[C@@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331338 KJ Annotated Reactive C[C@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331340 KJ Annotated Reactive COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331721 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331723 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331729 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331731 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)N1C(=O)OC(C)(C)C ZINC000587332363 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)N1C(=O)OC(C)(C)C ZINC000587332373 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)N1C(=O)OC(C)(C)C ZINC000587332379 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)N1C(=O)OC(C)(C)C ZINC000587332385 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](NC(=O)C(F)(F)F)c3cc4c(cc32)OCO4)[C@@H]1c1ccc(F)cc1 ZINC000587333117 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3cc4c(cc32)OCO4)[C@@H]1c1ccc(F)cc1 ZINC000587333123 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3cc4c(cc32)OCO4)[C@H]1c1ccc(F)cc1 ZINC000587333124 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](NC(=O)C(F)(F)F)c3cc4c(cc32)OCO4)[C@H]1c1ccc(F)cc1 ZINC000587333126 KJ Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333275 KJ Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333278 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333280 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333283 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34Oc3cc(O)ccc3C(=O)[C@@H]4c3ccc(F)cc3)OC2=O)cc1 ZINC000587333940 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34Oc3cc(O)ccc3C(=O)[C@H]4c3ccc(F)cc3)OC2=O)cc1 ZINC000587333952 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34Oc3cc(O)ccc3C(=O)[C@H]4c3ccc(F)cc3)OC2=O)cc1 ZINC000587333955 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34Oc3cc(O)ccc3C(=O)[C@@H]4c3ccc(F)cc3)OC2=O)cc1 ZINC000587333958 KJ Annotated Anodyne COC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587334693 KJ Annotated Anodyne COC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587334695 KJ Annotated Anodyne COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334770 KJ Annotated Anodyne COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334771 KJ Annotated Anodyne COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334772 KJ Annotated Anodyne COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334773 KJ Annotated Anodyne CNc1ccc(NCCO)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587334867 KJ Annotated Clean CNc1ccc(NCCO)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587334870 KJ Annotated Clean CNc1ccc(NCCO)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587334872 KJ Annotated Clean CNc1ccc(NCCO)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587334877 KJ Annotated Clean CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334958 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334960 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334963 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334965 KJ Annotated Bother CC(C)(C)OC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335020 KJ Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335023 KJ Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335026 KJ Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335031 KJ Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587335286 KJ Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587335287 KJ Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587335290 KJ Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587335295 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335366 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335368 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335370 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335376 KJ 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)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335691 KJ 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)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335717 KJ 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)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335724 KJ 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)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335725 KJ Annotated Mild COc1ccc(Cl)cc1[C@]1([C@@H]2CCCN(C=O)C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336000 KJ Annotated Anodyne COc1ccc(Cl)cc1[C@]1([C@H]2CCCN(C=O)C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336002 KJ Annotated Anodyne COc1ccc(Cl)cc1[C@]1([C@H]2CCCN(C=O)C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336004 KJ Annotated Anodyne COc1ccc(Cl)cc1[C@]1([C@@H]2CCCN(C=O)C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336009 KJ Annotated Anodyne Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336801 KJ Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336806 KJ Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336809 KJ Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336811 KJ Annotated Bother CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O)C[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336816 KJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O)C[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336820 KJ Annotated Anodyne C[C@@H]1CN(C(=O)C2CC3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000587336934 KJ Annotated Anodyne C[C@@H]1CN(C(=O)C2CC3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000587336939 KJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337083 KJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337088 KJ Annotated Anodyne O=C(O)C1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337148 KJ Annotated Anodyne O=C(O)C1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337162 KJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587337295 KJ Annotated Anodyne C=CCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587337297 KJ Annotated Mild C=CCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587337313 KJ Annotated Mild C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587337318 KJ Annotated Anodyne C=CCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587337320 KJ Annotated Mild C=CCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587337325 KJ Annotated Mild C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587337326 KJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587337328 KJ Annotated Anodyne CN(C)/C=C\[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337762 KJ Annotated Anodyne CN(C)/C=C/[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337776 KJ Annotated Anodyne CN(C)/C=C\[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337778 KJ Annotated Anodyne CN(C)/C=C/[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337786 KJ Annotated Anodyne Cn1c(=O)c(=O)n(C[C@]2(c3ccc4c(c3)CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337914 KJ Annotated Anodyne Cn1c(=O)c(=O)n(C[C@@]2(c3ccc4c(c3)CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337927 KJ Annotated Anodyne Cn1c(=O)c(=O)n(C[C@]2(c3ccc4c(c3)CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337932 KJ Annotated Anodyne Cn1c(=O)c(=O)n(C[C@@]2(c3ccc4c(c3)CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337936 KJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587337961 KJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587337972 KJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587337975 KJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587337980 KJ Annotated Anodyne O=C1c2c(O)ccc([N+](=O)[O-])c2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587338248 KJ Annotated Bother O=C1c2c(O)ccc([N+](=O)[O-])c2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587338251 KJ Annotated Bother COCCCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587338618 KJ Annotated Mild COCCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587338620 KJ Annotated Mild COCCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587338623 KJ Annotated Mild COCCCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587338625 KJ Annotated Mild CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)N1C(=O)OC(C)(C)C ZINC000587339042 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)N1C(=O)OC(C)(C)C ZINC000587339044 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)N1C(=O)OC(C)(C)C ZINC000587339354 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)N1C(=O)OC(C)(C)C ZINC000587339355 KJ Annotated Anodyne N#Cc1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(C2CC2)c1=O ZINC000587339551 KJ Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(C2CC2)c1=O ZINC000587339564 KJ Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(C2CC2)c1=O ZINC000587339568 KJ Annotated Mild N#Cc1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(C2CC2)c1=O ZINC000587339580 KJ Annotated Mild COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339665 KJ Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339666 KJ Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339670 KJ Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339675 KJ Annotated Anodyne COCCCn1cc([C@]2(c3cc(OC)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587339714 KJ Annotated Mild COCCCn1cc([C@@]2(c3cc(OC)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587339718 KJ Annotated Mild COCCCn1cc([C@@]2(c3cc(OC)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587339722 KJ Annotated Mild COCCCn1cc([C@]2(c3cc(OC)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587339729 KJ Annotated Mild CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339781 KJ Annotated Clean CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339784 KJ Annotated Clean CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339787 KJ Annotated Clean CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339788 KJ Annotated Clean O=C1c2c([N+](=O)[O-])ccc(O)c2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587339893 KJ Annotated Bother O=C1c2c([N+](=O)[O-])ccc(O)c2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587339894 KJ Annotated Bother COc1ccc(CN2C(=O)C[C@@]3(C=C2C)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000587339895 KJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1OC ZINC000587339896 KJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1OC ZINC000587339897 KJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000587339898 KJ Annotated Anodyne Cc1nc(O)c(I)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339992 KJ Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339999 KJ Annotated Anodyne Cc1nc(O)c(I)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340002 KJ Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340005 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C(=O)C=C1[C@@H](N)CC2 ZINC000587340068 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C(=O)C=C1[C@@H](N)CC2 ZINC000587340077 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C(=O)C=C1[C@@H](N)CC2 ZINC000587340078 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C(=O)C=C1[C@@H](N)CC2 ZINC000587340082 KJ Annotated Mild COC(=O)c1cc(I)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 ZINC000587340217 KJ Annotated Anodyne COC(=O)c1cc(I)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 ZINC000587340219 KJ Annotated Anodyne COC(=O)c1cc(I)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 ZINC000587340221 KJ Annotated Anodyne COC(=O)c1cc(I)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 ZINC000587340223 KJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340306 KJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340309 KJ Annotated Anodyne O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340327 KJ Annotated Bother O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340328 KJ Annotated Bother O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340329 KJ Annotated Bother O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340330 KJ Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340384 KJ Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340386 KJ Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340388 KJ Annotated Bother Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340390 KJ Annotated Bother COC(=O)C[C@@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340415 KJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340426 KJ Annotated Anodyne O=C1c2c([N+](=O)[O-])ccc(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587340505 KJ Annotated Bother O=C1c2c([N+](=O)[O-])ccc(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587340513 KJ Annotated Bother O=C1c2c([N+](=O)[O-])ccc(O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587340520 KJ Annotated Bother O=C1c2c([N+](=O)[O-])ccc(O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587340532 KJ Annotated Bother COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1 ZINC000587340637 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 ZINC000587340643 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 ZINC000587340650 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1 ZINC000587340655 KJ Annotated Clean COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341055 KJ Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341061 KJ Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341063 KJ Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341072 KJ Annotated Bother CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341150 KJ Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341159 KJ Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341163 KJ Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341167 KJ Annotated Anodyne CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341168 KJ Annotated Clean CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341172 KJ Annotated Clean CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341175 KJ Annotated Clean CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341182 KJ Annotated Clean Cn1cc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1/C=C/C(=O)NO ZINC000587341268 KJ Annotated Bother Cn1cc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1/C=C/C(=O)NO ZINC000587341270 KJ Annotated Bother Cn1cc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1/C=C\C(=O)NO ZINC000587341423 KJ Annotated Bother Cn1cc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1/C=C\C(=O)NO ZINC000587341425 KJ Annotated Bother O=C1Oc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000587342019 KJ Annotated Anodyne O=C1Oc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000587342022 KJ Annotated Anodyne O=C1Oc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000587342025 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2CN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587342028 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342096 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342097 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342100 KJ Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342101 KJ Annotated Anodyne O=C(CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)ON1C(=O)CCC1=O ZINC000587342119 KJ Annotated Mild O=C(CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)ON1C(=O)CCC1=O ZINC000587342121 KJ Annotated Mild O=C(CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)ON1C(=O)CCC1=O ZINC000587342177 KJ Annotated Mild O=C(CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)ON1C(=O)CCC1=O ZINC000587342179 KJ Annotated Mild COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342231 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342234 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342235 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342236 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342245 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342248 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342250 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342251 KJ Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](CN1CCOCC1)CC2 ZINC000587342371 KJ Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](CN1CCOCC1)CC2 ZINC000587342372 KJ Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](CN1CCOCC1)CC2 ZINC000587342373 KJ Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](CN1CCOCC1)CC2 ZINC000587342374 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(C3C(=O)OC(C)(C)OC3=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587342696 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(C3C(=O)OC(C)(C)OC3=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587342698 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(C3C(=O)OC(C)(C)OC3=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587342699 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(C3C(=O)OC(C)(C)OC3=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587342701 KJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cccc2N1CCNCC1 ZINC000587343304 KJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cccc2N1CCNCC1 ZINC000587343305 KJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cccc2N1CCNCC1 ZINC000587343306 KJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cccc2N1CCNCC1 ZINC000587343307 KJ Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343352 KJ Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343353 KJ Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343354 KJ Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343355 KJ Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587343749 KJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587343751 KJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587343753 KJ Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587343755 KJ Annotated Anodyne O=C1COc2ccc([C@]3(c4ccccc4C(=O)O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2N1 ZINC000587343951 KJ Annotated Anodyne O=C1COc2ccc([C@@]3(c4ccccc4C(=O)O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2N1 ZINC000587343953 KJ Annotated Anodyne O=C1COc2ccc([C@@]3(c4ccccc4C(=O)O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2N1 ZINC000587343955 KJ Annotated Anodyne O=C1COc2ccc([C@]3(c4ccccc4C(=O)O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2N1 ZINC000587343956 KJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344280 KJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344282 KJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344283 KJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344284 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344333 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344334 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344335 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344336 KJ Annotated Anodyne O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344636 KJ Annotated Bother O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344637 KJ Annotated Bother O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344638 KJ Annotated Bother O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344640 KJ Annotated Bother O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(N3CCNCC3)c21 ZINC000587344812 KJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(N3CCNCC3)c21 ZINC000587344815 KJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(N3CCNCC3)c21 ZINC000587344818 KJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(N3CCNCC3)c21 ZINC000587344821 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345522 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345528 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345532 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345534 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345924 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345928 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345929 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345932 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587346487 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587346491 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587346498 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587346502 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346673 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346679 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346682 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346688 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@@]4(CO)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587346785 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@@]4(CO)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587346788 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@]4(CO)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587346789 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@]4(CO)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587346792 KJ Annotated Mild CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346812 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346817 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346820 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346823 KJ Annotated Anodyne COC(=O)[C@]1(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587347178 KJ Annotated Anodyne COC(=O)[C@]1(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587347180 KJ Annotated Anodyne COC(=O)[C@]1(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587347181 KJ Annotated Anodyne COC(=O)[C@]1(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587347182 KJ Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347787 KJ Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347789 KJ Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347792 KJ Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347794 KJ Annotated Anodyne O=C(O)c1cc(C(=O)O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587348108 KJ Annotated Anodyne O=C(O)c1cc(C(=O)O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587348110 KJ Annotated Anodyne O=C(O)c1cc(C(=O)O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587348112 KJ Annotated Anodyne O=C(O)c1cc(C(=O)O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587348115 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348556 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348567 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348568 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348571 KJ Annotated Anodyne C=CC(C)(C)[C@@]12C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587349020 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587349022 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587349025 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587349028 KJ Annotated Mild COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349218 KJ Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349232 KJ Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349237 KJ Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349246 KJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3cc(C(=O)O)ccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350665 KJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cc(C(=O)O)ccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350669 KJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cc(C(=O)O)ccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350671 KJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3cc(C(=O)O)ccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350674 KJ Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@](O)(c1cc(C)ccc1C)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350687 KJ Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@](O)(c1cc(C)ccc1C)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350701 KJ Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@](O)(c1cc(C)ccc1C)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350710 KJ Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@](O)(c1cc(C)ccc1C)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350720 KJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1O ZINC000587351024 KJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1O ZINC000587351036 KJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1O ZINC000587351041 KJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1O ZINC000587351046 KJ Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351101 KJ Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351104 KJ Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351108 KJ Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351113 KJ Annotated Mild COC(=O)c1cc(O)cc(O)c1[C@]1(c2c(O)cc(C)cc2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351338 KJ Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@@]1(c2c(O)cc(C)cc2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351376 KJ Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@@]1(c2c(O)cc(C)cc2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351380 KJ Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@]1(c2c(O)cc(C)cc2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351383 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587351477 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587351482 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587351484 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587351487 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351504 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351510 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351515 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351520 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587351679 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587351681 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587351683 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587351685 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351964 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351969 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351974 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351983 KJ Annotated Anodyne C[C@]12C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@H](O)CO ZINC000587352205 KJ Annotated Mild C[C@]12C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@H](O)CO ZINC000587352206 KJ Annotated Mild C[C@]12C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@H](O)CO ZINC000587352208 KJ Annotated Mild C[C@]12C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@H](O)CO ZINC000587352209 KJ Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587352225 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587352226 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)c(O)c3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587352227 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)c(O)c3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587352229 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587353804 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587353810 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587353812 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587353815 KJ Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354106 KJ Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354109 KJ Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354111 KJ Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354119 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCO3)([C@@H](O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 ZINC000587354192 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCO3)([C@@H](O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587354193 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCO3)([C@H](O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587354194 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCO3)([C@H](O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 ZINC000587354196 KJ Annotated Anodyne C[C@@]1(c2ccc3c(c2)OCCOCCOCCOCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354264 KJ Annotated Anodyne C[C@@]1(c2ccc3c(c2)OCCOCCOCCOCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354274 KJ Annotated Anodyne C[C@]1(c2ccc3c(c2)OCCOCCOCCOCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354277 KJ Annotated Anodyne C[C@]1(c2ccc3c(c2)OCCOCCOCCOCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354278 KJ Annotated Anodyne O=C(O)c1cc2c(cc1C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587355341 KJ Annotated Anodyne O=C(O)c1cc2c(cc1C(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587355346 KJ Annotated Anodyne O=C(O)c1cc2c(cc1C(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587355348 KJ Annotated Anodyne O=C(O)c1cc2c(cc1C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587355350 KJ Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355436 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355437 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355481 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355484 KJ Annotated Mild C[C@@]1(c2ccc3c(c2)OCCOCCOCCOCCOCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356390 KJ Annotated Anodyne C[C@@]1(c2ccc3c(c2)OCCOCCOCCOCCOCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356395 KJ Annotated Anodyne C[C@]1(c2ccc3c(c2)OCCOCCOCCOCCOCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356402 KJ Annotated Anodyne C[C@]1(c2ccc3c(c2)OCCOCCOCCOCCOCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356403 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(O)cc1)O2 ZINC000587356439 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(O)cc1)O2 ZINC000587356442 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(O)cc1)O2 ZINC000587356447 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(O)cc1)O2 ZINC000587356449 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(O)cc3O[C@H]2c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587356526 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(O)cc3O[C@H]2c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587356528 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587356529 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587356530 KJ Annotated Clean CCOC(=O)C[C@]1(CCS(=O)(=O)c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358171 KJ Annotated Anodyne CCOC(=O)C[C@@]1(CCS(=O)(=O)c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358178 KJ Annotated Anodyne CCOC(=O)C[C@]1(CCS(=O)(=O)c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358179 KJ Annotated Anodyne CCOC(=O)C[C@@]1(CCS(=O)(=O)c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358183 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587358314 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587358318 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587358322 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587358324 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358588 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358596 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358600 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358607 KJ Annotated Clean COc1cc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)ccc1O ZINC000587358623 KJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)ccc1O ZINC000587358631 KJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)ccc1O ZINC000587358635 KJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)ccc1O ZINC000587358638 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587359291 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587359292 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587359294 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587359296 KJ Annotated Clean CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359544 KJ Annotated Reactive CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359551 KJ Annotated Reactive CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359554 KJ Annotated Reactive CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359559 KJ Annotated Reactive COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCC(C)(C)CO3 ZINC000587359647 KJ Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCC(C)(C)CO3 ZINC000587359655 KJ Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCC(C)(C)CO3 ZINC000587359657 KJ Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCC(C)(C)CO3 ZINC000587359661 KJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359675 KJ Annotated Unstable O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359682 KJ Annotated Unstable O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359685 KJ Annotated Unstable O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359691 KJ Annotated Unstable CS(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359721 KJ Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359722 KJ Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359726 KJ Annotated Reactive CS(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359728 KJ Annotated Reactive C[C@@]12CC[C@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359873 KJ Annotated Anodyne C[C@@]12CC[C@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359874 KJ Annotated Anodyne C[C@@]12CC[C@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359875 KJ Annotated Anodyne C[C@@]12CC[C@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359876 KJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360383 KJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360386 KJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360388 KJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360391 KJ Annotated Anodyne CC(=O)OC(C)(C)/C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)[C@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587360399 KJ Annotated Mild CC(=O)OC(C)(C)/C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)[C@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587360406 KJ Annotated Mild CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)[C@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587360412 KJ Annotated Mild CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)[C@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587360414 KJ Annotated Mild Cc1ccc(S(=O)(=O)C[C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587360687 KJ Annotated Reactive Cc1ccc(S(=O)(=O)C[C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587360689 KJ Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587360690 KJ Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587360692 KJ Annotated Reactive C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](O)O2)[C@H]1CC[C@@H]3[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360775 KJ Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](O)O2)[C@H]1CC[C@@H]3[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360776 KJ Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](O)O2)[C@H]1CC[C@@H]3[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360777 KJ Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](O)O2)[C@H]1CC[C@@H]3[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360779 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587361289 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587361292 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587361294 KJ Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(C(=O)CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587361296 KJ Annotated Clean CS(=O)(=O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587361471 KJ Annotated Reactive CS(=O)(=O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587361473 KJ Annotated Reactive CS(=O)(=O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587361475 KJ Annotated Reactive CS(=O)(=O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587361477 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C4(C)C ZINC000587361565 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C4(C)C ZINC000587361566 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C4(C)C ZINC000587361567 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C4(C)C ZINC000587361568 KJ Annotated Reactive COc1cccc(-c2cc(CCCCN3C(=O)[C@@H]4[C@H](N=CN4C)N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587362158 KJ Annotated Anodyne COc1cccc(-c2cc(CCCCN3C(=O)[C@@H]4[C@@H](N=CN4C)N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587362159 KJ Annotated Anodyne COc1cccc(-c2cc(CCCCN3C(=O)[C@H]4[C@@H](N=CN4C)N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587362160 KJ Annotated Anodyne COc1cccc(-c2cc(CCCCN3C(=O)[C@H]4[C@H](N=CN4C)N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587362161 KJ Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365382 KJ Annotated Anodyne COc1cccc(-c2cc(C[C@@H]3[C@@H](O)[C@H]4O[C@@H]5C=C(C)[C@@H](O)C[C@]5(COC(C)=O)[C@]3(C)[C@@]43CO3)nc3c2oc2ccccc23)c1 ZINC000587367231 KJ Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1CC1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587368497 KJ Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1C[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587368498 KJ Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1C[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587368501 KJ Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1C[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587368506 KJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368889 KJ Annotated Anodyne O=C(O)CC[C@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368893 KJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368894 KJ Annotated Anodyne O=C(O)CC[C@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368895 KJ Annotated Anodyne CC(=O)O[C@]1(c2ccc3c(O)nc(O)nc3n2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587369131 KJ Annotated Mild O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369207 KJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369208 KJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369209 KJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369210 KJ Annotated Reactive COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CSc1nnnn1C ZINC000587369231 KJ Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587369234 KJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CSc1nnnn1C ZINC000587369313 KJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CSc1nnnn1C ZINC000587369314 KJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CSc1nnnn1C ZINC000587369315 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=CC(=O)[C@@]4(CO3)Oc3cc(O)ccc3C(=O)[C@@H]4c3ccc(F)cc3)nc2c1 ZINC000587369432 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@]4(CO3)Oc3cc(O)ccc3C(=O)[C@H]4c3ccc(F)cc3)nc2c1 ZINC000587369433 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@]4(CO3)Oc3cc(O)ccc3C(=O)[C@@H]4c3ccc(F)cc3)nc2c1 ZINC000587369434 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@@]4(CO3)Oc3cc(O)ccc3C(=O)[C@H]4c3ccc(F)cc3)nc2c1 ZINC000587369435 KJ Annotated Mild CS(=O)(=O)N1CCCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587369487 KJ Annotated Reactive CS(=O)(=O)N1CCCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587369488 KJ Annotated Reactive CS(=O)(=O)N1CCCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587369489 KJ Annotated Reactive CS(=O)(=O)N1CCCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587369490 KJ Annotated Reactive CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369568 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369569 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369570 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369571 KJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5nc(O)nc(O)c5cc4C[C@@H]32)C1 ZINC000587369605 KJ Annotated Reactive CCn1c(SCC2=CC(=O)[C@@]3(CO2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)nc2ccccc2c1=O ZINC000587369703 KJ Annotated Mild CCn1c(SCC2=CC(=O)[C@@]3(CO2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)nc2ccccc2c1=O ZINC000587369704 KJ Annotated Mild CCn1c(SCC2=CC(=O)[C@]3(CO2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)nc2ccccc2c1=O ZINC000587369705 KJ Annotated Mild CCn1c(SCC2=CC(=O)[C@]3(CO2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)nc2ccccc2c1=O ZINC000587369706 KJ Annotated Mild C[C@@H]1Cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1S(C)(=O)=O ZINC000587369712 KJ Annotated Reactive C[C@@H]1Cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1S(C)(=O)=O ZINC000587369713 KJ Annotated Reactive C[C@@H]1Cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1S(C)(=O)=O ZINC000587369714 KJ Annotated Reactive C[C@@H]1Cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1S(C)(=O)=O ZINC000587369715 KJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587369767 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587369768 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587369769 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587369770 KJ Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587369779 KJ Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587369780 KJ Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587369781 KJ Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587369782 KJ Annotated Reactive C[C@]1(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369806 KJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369807 KJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369808 KJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369809 KJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587369864 KJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587369865 KJ Annotated Anodyne COc1cc(O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1S(=O)(=O)O ZINC000587369905 KJ Annotated Anodyne COc1cc(O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1S(=O)(=O)O ZINC000587369906 KJ Annotated Anodyne COc1cc(O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1S(=O)(=O)O ZINC000587369907 KJ Annotated Anodyne COc1cc(O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1S(=O)(=O)O ZINC000587369908 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369971 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369973 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369974 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369975 KJ Annotated Anodyne CCN(c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000587369992 KJ Annotated Reactive CCN(c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000587369993 KJ Annotated Reactive CCN(c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000587369995 KJ Annotated Reactive CCN(c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000587369997 KJ Annotated Reactive C[C@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370030 KJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370033 KJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370034 KJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370035 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCN(C(=O)OC(C)(C)C)CC1)(c1ccc(Br)cc1)O2 ZINC000587370088 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCN(C(=O)OC(C)(C)C)CC1)(c1ccc(Br)cc1)O2 ZINC000587370089 KJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587370145 KJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587370146 KJ Annotated Anodyne COC1=COC(CSc2nnnn2-c2ccccc2)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587370153 KJ Annotated Anodyne COC1=COC(CSc2nnnn2-c2ccccc2)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587370154 KJ Annotated Anodyne COC1=COC(CSc2nnnn2-c2ccccc2)=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587370155 KJ Annotated Anodyne COC1=COC(CSc2nnnn2-c2ccccc2)=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587370156 KJ Annotated Anodyne CCS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587370361 KJ Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587370364 KJ Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587370365 KJ Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587370368 KJ Annotated Reactive CCn1c(SCC2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C(=O)CO2)nc2ccccc2c1=O ZINC000587370443 KJ Annotated Anodyne CCn1c(SCC2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C(=O)CO2)nc2ccccc2c1=O ZINC000587370445 KJ Annotated Anodyne CCn1c(SCC2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C(=O)CO2)nc2ccccc2c1=O ZINC000587370446 KJ Annotated Anodyne CCn1c(SCC2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C(=O)CO2)nc2ccccc2c1=O ZINC000587370447 KJ Annotated Anodyne Cc1cc(O)nc(SC[C@@]2(c3ccc(O)c(O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587370477 KJ Annotated Clean Cc1cc(O)nc(SC[C@]2(c3ccc(O)c(O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587370478 KJ Annotated Clean Cc1cc(O)nc(SC[C@]2(c3ccc(O)c(O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587370479 KJ Annotated Clean Cc1cc(O)nc(SC[C@@]2(c3ccc(O)c(O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587370480 KJ Annotated Clean COC(=O)c1ccc2oc(SCC3=C[C@@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)C(=O)CO3)nc2c1 ZINC000587370836 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)C(=O)CO3)nc2c1 ZINC000587370838 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)C(=O)CO3)nc2c1 ZINC000587370840 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)C(=O)CO3)nc2c1 ZINC000587370842 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370843 KJ Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370846 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370847 KJ Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370848 KJ Annotated Anodyne CN1CCc2nc(C3(c4nc5c(s4)CN(C)CC5)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2C1 ZINC000587370981 KJ Annotated Anodyne CN1CCc2nc(C3(c4nc5c(s4)CN(C)CC5)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2C1 ZINC000587370985 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)O2 ZINC000587371541 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)O2 ZINC000587371542 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)CC(C(Br)Br)(C(Br)Br)O2 ZINC000587371641 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccc(CNC(=O)CCl)o1)O2 ZINC000587373247 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccc(CNC(=O)CCl)o1)O2 ZINC000587373257 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Br)c(N)c(Br)c1)O2 ZINC000587373585 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Br)c(N)c(Br)c1)O2 ZINC000587373588 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc1Cl)O2 ZINC000587374087 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc1Cl)O2 ZINC000587374092 KJ Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 ZINC000587374306 KJ Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 ZINC000587374307 KJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587374528 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587374536 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587374540 KJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587374544 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C#N)C(=O)Nc1cc(Br)ccc1Br)O2 ZINC000587374938 KJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C#N)C(=O)Nc1cc(Br)ccc1Br)O2 ZINC000587374941 KJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C#N)C(=O)Nc1cc(Br)ccc1Br)O2 ZINC000587374943 KJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C#N)C(=O)Nc1cc(Br)ccc1Br)O2 ZINC000587374945 KJ Annotated Mild CN1[C@H](C(=O)Nc2ccccn2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2sc(Cl)cc2S1(=O)=O ZINC000587375344 KJ Annotated Anodyne CN1[C@H](C(=O)Nc2ccccn2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2sc(Cl)cc2S1(=O)=O ZINC000587375346 KJ Annotated Anodyne CN1[C@H](C(=O)Nc2ccccn2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2sc(Cl)cc2S1(=O)=O ZINC000587375348 KJ Annotated Anodyne CN1[C@H](C(=O)Nc2ccccn2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2sc(Cl)cc2S1(=O)=O ZINC000587375351 KJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587376560 KJ Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587376561 KJ Annotated Bother Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000587378486 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000587378487 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000587378488 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000587378489 KJ Annotated Reactive CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378957 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378958 KJ Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12CC(=O)c1cc(C)cc(N)c1O2)c1ccccc1 ZINC000587379998 KJ Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12CC(=O)c1cc(C)cc(N)c1O2)c1ccccc1 ZINC000587379999 KJ Annotated Anodyne CCN(C(=O)[C@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12CC(=O)c1cc(C)cc(N)c1O2)c1ccccc1 ZINC000587380000 KJ Annotated Anodyne CCN(C(=O)[C@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12CC(=O)c1cc(C)cc(N)c1O2)c1ccccc1 ZINC000587380001 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2O[C@@H]2C(=O)[C@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587382404 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2[C@@H](C(=O)[C@H]3O[C@H]31)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587382408 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2O[C@@H]2C(=O)[C@@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587382411 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2[C@H](C(=O)[C@H]3O[C@H]31)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587382415 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(NC(=O)c3c(F)cc(F)cc3F)n1)(C1CCN(C)CC1)O2 ZINC000587382678 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(NC(=O)c3c(F)cc(F)cc3F)n1)(C1CCN(C)CC1)O2 ZINC000587382682 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(F)(F)F)cc1S(C)(=O)=O)(c1cnoc1C1CC1)O2 ZINC000587382985 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(F)(F)F)cc1S(C)(=O)=O)(c1cnoc1C1CC1)O2 ZINC000587382991 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc1)O2 ZINC000587383120 KJ Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc1)O2 ZINC000587383130 KJ Annotated Unstable COCCOCOc1cc2c(cc1F)C1(CC(=O)c3cc(C)cc(N)c3O1)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587384565 KJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c(I)c1C ZINC000587385615 KJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c(I)c1C ZINC000587385629 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C(NC(=O)c1ccccc1)NC(=O)c1ccccc1)O2 ZINC000587386040 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C(NC(=O)c1ccccc1)NC(=O)c1ccccc1)O2 ZINC000587386043 KJ Annotated Anodyne CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](C[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O ZINC000587386792 KJ Annotated Anodyne CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](C[C@H]2CC(=O)c3cc(C)cc(N)c3O2)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O ZINC000587386793 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)c(F)c(I)c1)O2 ZINC000587387457 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)c(F)c(I)c1)O2 ZINC000587387459 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(I)cc(C)c1NC(=O)C(F)(F)F)O2 ZINC000587387481 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(I)cc(C)c1NC(=O)C(F)(F)F)O2 ZINC000587387484 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)nc(Cl)c1NC(=O)C(C)(C)C)O2 ZINC000587388054 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)nc(Cl)c1NC(=O)C(C)(C)C)O2 ZINC000587388055 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587388547 KJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587388549 KJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587388550 KJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587388552 KJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc31)O2 ZINC000587388874 KJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc31)O2 ZINC000587388876 KJ Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587390538 KJ Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587390539 KJ Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587390541 KJ Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587390543 KJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc31)O2 ZINC000587391735 KJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc31)O2 ZINC000587391736 KJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C1)O2 ZINC000587393015 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C1)O2 ZINC000587393017 KJ Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587396437 KJ Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587396438 KJ Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587396439 KJ Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587396440 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C1)O2 ZINC000587397477 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C1)O2 ZINC000587397479 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587398355 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587398356 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc31)O2 ZINC000587398425 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc31)O2 ZINC000587398431 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)(C(O)O)O2 ZINC000587399307 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)(C(O)O)O2 ZINC000587399313 KJ Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587399708 KJ Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587399717 KJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[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@@]23OC(=O)O/C=C/[C@@]1(C)O ZINC000587401070 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[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@@]23OC(=O)O/C=C/[C@@]1(C)O ZINC000587401073 KJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587402392 KJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587402393 KJ Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587402507 KJ Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587402511 KJ Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587402514 KJ Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587402516 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587402853 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587402855 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587404268 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587404272 KJ Annotated Mild COc1ccc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587407299 KJ Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587407307 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(Br)ccnc3n1S(=O)(=O)c1ccccc1)O2 ZINC000587407696 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(Br)ccnc3n1S(=O)(=O)c1ccccc1)O2 ZINC000587407697 KJ Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587408260 KJ Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587408264 KJ Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1Cl ZINC000587408500 KJ Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1Cl ZINC000587408502 KJ Annotated Reactive COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587408735 KJ Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587408746 KJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587409047 KJ Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587409050 KJ Annotated Bother COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)CC(=O)c4cc(C)cc(N)c4O2)[C@H]13 ZINC000587409157 KJ Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)CC(=O)c4cc(C)cc(N)c4O2)[C@H]13 ZINC000587409165 KJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Br)cnc3n1S(=O)(=O)c1ccccc1)O2 ZINC000587409569 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Br)cnc3n1S(=O)(=O)c1ccccc1)O2 ZINC000587409570 KJ Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H]1O ZINC000587409689 KJ Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H]1O ZINC000587409695 KJ Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H]1O ZINC000587409696 KJ Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H]1O ZINC000587409698 KJ Annotated Mild CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410307 KJ Annotated Unstable CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410317 KJ Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c1Cl)O2 ZINC000587410321 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c1Cl)O2 ZINC000587410322 KJ Annotated Reactive CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410374 KJ Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410375 KJ Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587410746 KJ Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587410748 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]31C)O2 ZINC000587411442 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]31C)O2 ZINC000587411444 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1nn(-c3cccc(Br)c3)c(=NC#N)s1)O2 ZINC000587412912 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1nn(-c3cccc(Br)c3)c(=NC#N)s1)O2 ZINC000587412914 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C#N)C(=O)Nc1cc(Br)ccc1Br)[C@@H](C2)C3=O ZINC000587413802 KJ Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C#N)C(=O)Nc1cc(Br)ccc1Br)[C@@H](C2)C3=O ZINC000587413803 KJ Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C#N)C(=O)Nc1cc(Br)ccc1Br)[C@@H](C2)C3=O ZINC000587413804 KJ Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H](C#N)C(=O)Nc1cc(Br)ccc1Br)[C@@H](C2)C3=O ZINC000587413805 KJ Annotated Mild COc1cc2c3c(c1)O[C@](CBr)(c1cc(Br)c(N)c(Br)c1)[C@@H](C2)C3=O ZINC000587414756 KJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Br)c(N)c(Br)c1)[C@@H](C2)C3=O ZINC000587414763 KJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1)O2 ZINC000587415452 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]1C(=O)OC(c1ccccc1)c1ccccc1)O2 ZINC000587415453 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]1C(=O)OC(c1ccccc1)c1ccccc1)O2 ZINC000587415454 KJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1)O2 ZINC000587415455 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1N1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587415626 KJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1N1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587415627 KJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587416525 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587416528 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCN(C(=O)OC(C)(C)C)CC1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416807 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCN(C(=O)OC(C)(C)C)CC1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416808 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cncc(Br)c1C)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587416897 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cncc(Br)c1C)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587416900 KJ Annotated Anodyne COc1cc2c3c(c1)OC(c1ccc(Br)cn1)(c1ccc(Br)cn1)[C@@H](C2)C3=O ZINC000587417463 KJ Annotated Anodyne CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417556 KJ Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417559 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccc(Cl)cc4OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587417620 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccc(Cl)cc4OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587417621 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccc(Br)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587417830 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccc(Br)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587417831 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c1C)[C@@H](C2)C3=O ZINC000587418013 KJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c1C)[C@@H](C2)C3=O ZINC000587418016 KJ Annotated Reactive COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2O[C@@H]2C(=O)[C@@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587418124 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2O[C@@H]2C(=O)[C@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587418125 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H]4[C@@H](C(=O)[C@H]5O[C@H]51)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C1(Cl)Cl)[C@@H](C2)C3=O ZINC000587418126 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H]4[C@H](C(=O)[C@H]5O[C@H]51)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C1(Cl)Cl)[C@@H](C2)C3=O ZINC000587418127 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OC(=O)c1nn(C)cc1Br)[C@@H](C2)C3=O ZINC000587418356 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OC(=O)c1nn(C)cc1Br)[C@@H](C2)C3=O ZINC000587418381 KJ Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)c1 ZINC000587418779 KJ Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)c1 ZINC000587418788 KJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1c(Cl)cc(Cn4nnc(C(N)=O)c4N)cc1Cl)[C@@H](C2)C3=O ZINC000587418863 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1c(Cl)cc(Cn4nnc(C(N)=O)c4N)cc1Cl)[C@@H](C2)C3=O ZINC000587418867 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587418995 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587418997 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587418999 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587419000 KJ Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419041 KJ Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419042 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccc(CNC(=O)CCl)o1)[C@@H](C2)C3=O ZINC000587419059 KJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccc(CNC(=O)CCl)o1)[C@@H](C2)C3=O ZINC000587419063 KJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587419530 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587419535 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(F)(F)F)cc1S(C)(=O)=O)(c1cnoc1C1CC1)[C@@H](C2)C3=O ZINC000587422233 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(F)(F)F)cc1S(C)(=O)=O)(c1cnoc1C1CC1)[C@@H](C2)C3=O ZINC000587422250 KJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422666 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422667 KJ Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(F)(F)F)nn1C ZINC000587423288 KJ Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(F)(F)F)nn1C ZINC000587423289 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(NC(=O)c4c(F)cc(F)cc4F)n1)(C1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587423429 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(NC(=O)c4c(F)cc(F)cc4F)n1)(C1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587423430 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)cc1)[C@@H](C2)C3=O ZINC000587423935 KJ Annotated Unstable COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)cc1)[C@@H](C2)C3=O ZINC000587423936 KJ Annotated Unstable CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3)c1ccccc1 ZINC000587424010 KJ Annotated Anodyne CCN(C(=O)[C@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3)c1ccccc1 ZINC000587424027 KJ Annotated Anodyne CCN(C(=O)[C@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3)c1ccccc1 ZINC000587424030 KJ Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3)c1ccccc1 ZINC000587424032 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(=O)n(Cc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587424741 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(=O)n(Cc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587424742 KJ Annotated Anodyne COCCOCOc1cc2c(cc1F)C1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587426303 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(Oc4ccc(I)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587426368 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Oc4ccc(I)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587426369 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(C(NC(=O)c1ccccc1)NC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587426609 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(C(NC(=O)c1ccccc1)NC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587426618 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O4)[C@H](N(C)C)[C@H]1O)[C@@H](C2)C3=O ZINC000587426869 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O4)[C@H](N(C)C)[C@H]1O)[C@@H](C2)C3=O ZINC000587426870 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)nc(Cl)c1NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587427490 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)nc(Cl)c1NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587427498 KJ Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587427659 KJ Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587427662 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)c(F)c(I)c1)[C@@H](C2)C3=O ZINC000587428342 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)c(F)c(I)c1)[C@@H](C2)C3=O ZINC000587428351 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(I)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587428383 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(I)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587428384 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(I)cc(C)c1NC(=O)C(F)(F)F)[C@@H](C2)C3=O ZINC000587428758 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(I)cc(C)c1NC(=O)C(F)(F)F)[C@@H](C2)C3=O ZINC000587428760 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C)c(I)c4C)c1)[C@@H](C2)C3=O ZINC000587428954 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C)c(I)c4C)c1)[C@@H](C2)C3=O ZINC000587428955 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(/C(=C\c4cn(C)c5ccccc45)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587429357 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(/C(=C\c4cn(C)c5ccccc45)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587429361 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(I)c1OC)[C@@H](C2)C3=O ZINC000587429373 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(I)c1OC)[C@@H](C2)C3=O ZINC000587429376 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(C#N)c(=O)n(C4CCCCC4)c1)(c1cc(F)ccc1O)[C@@H](C2)C3=O ZINC000587429464 KJ Annotated Mild COc1cc2c3c(c1)O[C@](c1cc(C#N)c(=O)n(C4CCCCC4)c1)(c1cc(F)ccc1O)[C@@H](C2)C3=O ZINC000587429465 KJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587430783 KJ Annotated Bother COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587430802 KJ Annotated Bother COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587431427 KJ Annotated Bother COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587431430 KJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587432380 KJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587432389 KJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587432391 KJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587432392 KJ Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587433070 KJ Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587433071 KJ Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587433072 KJ Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587433073 KJ Annotated Bother CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587433100 KJ Annotated Bother CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587433101 KJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1)[C@@H](C2)C3=O ZINC000587434080 KJ Annotated Mild COc1cc2c3c(c1)O[C@@](C)(C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1)[C@@H](C2)C3=O ZINC000587434081 KJ Annotated Mild COc1cc2c3c(c1)O[C@](c1cccc(CN4C(=O)c5ccccc5C4=O)c1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587435054 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(CN4C(=O)c5ccccc5C4=O)c1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587435056 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1cccc(CN4C(=O)c5ccccc5C4=O)c1)[C@@H](C2)C3=O ZINC000587435228 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccncc1)(c1cccc(CN4C(=O)c5ccccc5C4=O)c1)[C@@H](C2)C3=O ZINC000587435232 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587435734 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587435735 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587435736 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587435737 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC)c(OC)c1)(c1nccc4cc(OC)c(OC)cc14)[C@@H](C2)C3=O ZINC000587436630 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(OC)c1)(c1nccc4cc(OC)c(OC)cc14)[C@@H](C2)C3=O ZINC000587436631 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCC(Cc5ccccc5)CC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587436818 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCC(Cc5ccccc5)CC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587436822 KJ Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587438136 KJ Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587438139 KJ Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@H](C)C/C=C/[C@H]4[C@H](O)C(C)=C(C)[C@H]5[C@H](Cc6ccccc6)NC(=O)[C@@]45[C@@H](OC(C)=O)/C=C/[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587438560 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H](C)C/C=C/[C@H]4[C@H](O)C(C)=C(C)[C@H]5[C@H](Cc6ccccc6)NC(=O)[C@@]45[C@H](OC(C)=O)/C=C/[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587438563 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H](C)C/C=C/[C@H]4[C@H](O)C(C)=C(C)[C@@H]5[C@H](Cc6ccccc6)NC(=O)[C@]54[C@@H](OC(C)=O)/C=C/[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587438565 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H](C)C/C=C/[C@H]4[C@H](O)C(C)=C(C)[C@@H]5[C@H](Cc6ccccc6)NC(=O)[C@]54[C@H](OC(C)=O)/C=C/[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587438567 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C)C/C=C/[C@H]4[C@@H]5O[C@]5(C)[C@@H](C)[C@H]5[C@H](Cc6ccccc6)NC(=O)[C@@]45OC(=O)O/C=C/[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587438703 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C)C/C=C/[C@H]4[C@@H]5O[C@]5(C)[C@@H](C)[C@H]5[C@H](Cc6ccccc6)NC(=O)[C@@]45OC(=O)O/C=C/[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587438709 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587438776 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587438782 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587438786 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587438792 KJ Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587438937 KJ Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587438939 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4C[C@H](NC(=O)OCc5ccccc5)C[C@@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587441153 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H](NC(=O)OCc5ccccc5)C[C@@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587441166 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(OCc4ccccc4)cc(OCc4ccccc4)c1)(C(O)O)[C@@H](C2)C3=O ZINC000587443316 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(OCc4ccccc4)cc(OCc4ccccc4)c1)(C(O)O)[C@@H](C2)C3=O ZINC000587443317 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587443389 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587443392 KJ Annotated Mild CCC(=O)O[C@]1([C@@]2(COC(C)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587444270 KJ Annotated Mild CCC(=O)O[C@]1([C@]2(COC(C)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587444284 KJ Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587444370 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587444382 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(N5CCCC5)c(O)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587445008 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(N5CCCC5)c(O)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587445011 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(N5CCCC5)c(O)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587445015 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(N5CCCC5)c(O)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587445018 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587445171 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587445174 KJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(NC(C)=O)cc41)[C@@H](C2)C3=O ZINC000587445673 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(NC(C)=O)cc41)[C@@H](C2)C3=O ZINC000587445676 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(Br)ccnc4n1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587447710 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(Br)ccnc4n1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587447711 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(Br)cnc4n1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587447712 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(Br)cnc4n1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587447713 KJ Annotated Anodyne CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447915 KJ Annotated Unstable CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447917 KJ Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448088 KJ Annotated Unstable CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448097 KJ Annotated Unstable CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1O ZINC000587448297 KJ Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1O ZINC000587448301 KJ Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1O ZINC000587448303 KJ Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1O ZINC000587448306 KJ Annotated Mild COc1cc2c3c(c1)O[C@H](c1sc(=NS(=O)(=O)c4ccccc4)n(CCCCl)c1Cl)[C@@H](C2)C3=O ZINC000587448335 KJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1sc(=NS(=O)(=O)c4ccccc4)n(CCCCl)c1Cl)[C@@H](C2)C3=O ZINC000587448337 KJ Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1Cl ZINC000587448347 KJ Annotated Reactive CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1Cl ZINC000587448351 KJ Annotated Reactive CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448464 KJ Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448465 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587448927 KJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587448928 KJ Annotated Bother COc1cc2c3c(c1)O[C@@]1(C=C(c4ccc(OC)c(OC)c4)Oc4cc(OC)c(OC)c(OC)c41)[C@@H](C2)C3=O ZINC000587449576 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccc(OC)c(OC)c4)Oc4cc(OC)c(OC)c(OC)c41)[C@@H](C2)C3=O ZINC000587449580 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1nn(-c4cccc(Br)c4)c(=NC#N)s1)[C@@H](C2)C3=O ZINC000587450678 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1nn(-c4cccc(Br)c4)c(=NC#N)s1)[C@@H](C2)C3=O ZINC000587450681 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)c([N+](=O)[O-])c1 ZINC000587451395 KJ Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)c([N+](=O)[O-])c1 ZINC000587451399 KJ Annotated Bother COc1cc2c3c(c1)O[C@](CP(=O)(OC)OC)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587451474 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CP(=O)(OC)OC)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587451477 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(NS(=O)(=O)N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587451523 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(NS(=O)(=O)N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587451529 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C(C)(C)O[C@H]5CC(=O)OC[C@]54[C@H]4CC[C@@]5(C)[C@H](c6ccoc6)OC(=O)[C@H]6O[C@]65[C@@]41C)[C@@H](C2)C3=O ZINC000587451910 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4C(C)(C)O[C@H]5CC(=O)OC[C@]54[C@H]4CC[C@@]5(C)[C@H](c6ccoc6)OC(=O)[C@H]6O[C@]65[C@@]41C)[C@@H](C2)C3=O ZINC000587451916 KJ Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1OCC ZINC000587451921 KJ Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1OCC ZINC000587451937 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CS[C@@H]4[C@H](NC(=O)Cc5ccccc5)C(=O)N4[C@H]1C(=O)OC(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587453097 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CS[C@@H]4[C@H](NC(=O)Cc5ccccc5)C(=O)N4[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587453098 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CS[C@@H]4[C@H](NC(=O)Cc5ccccc5)C(=O)N4[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587453099 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CS[C@@H]4[C@H](NC(=O)Cc5ccccc5)C(=O)N4[C@H]1C(=O)OC(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587453100 KJ Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587453758 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587453759 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587453760 KJ Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587453761 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccc(OC)c(OC)c4)Oc4c(OC)c(OC)c(OC)c(OC)c41)[C@@H](C2)C3=O ZINC000587454613 KJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccc(OC)c(OC)c4)Oc4c(OC)c(OC)c(OC)c(OC)c41)[C@@H](C2)C3=O ZINC000587454616 KJ Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587454778 KJ Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587454779 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1)CC2=O ZINC000587455825 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1)CC2=O ZINC000587455826 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc(Br)c21 ZINC000587458543 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc(Br)c21 ZINC000587458545 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC1=O)CC2=O ZINC000587460512 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC1=O)CC2=O ZINC000587460513 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(Br)cc(C(=O)O)c(N)c21 ZINC000587461091 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(Br)cc(C(=O)O)c(N)c21 ZINC000587461092 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(NC(=O)c3nnc(O)c4ccccc34)c1C)CC2=O ZINC000587461154 KJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(NC(=O)c3nnc(O)c4ccccc34)c1C)CC2=O ZINC000587461155 KJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCN(c3ncccn3)CC1)(c1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587461574 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N1CCN(c3ncccn3)CC1)(c1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587461584 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)cnc2N(Cc2ccccc2)C(=O)[C@@H]1C(=O)OCC ZINC000587462488 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)cnc2N(Cc2ccccc2)C(=O)[C@@H]1C(=O)OCC ZINC000587462497 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)cnc2N(Cc2ccccc2)C(=O)[C@H]1C(=O)OCC ZINC000587462501 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)cnc2N(Cc2ccccc2)C(=O)[C@H]1C(=O)OCC ZINC000587462506 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587463352 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587463353 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1Cl)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587463454 KJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1Cl)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587463456 KJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC1=O)CC2=O ZINC000587463576 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC1=O)CC2=O ZINC000587463581 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)N1CCn3c(nnc3C(F)(F)F)C1)(Cc1cc(F)c(F)cc1F)CC2=O ZINC000587464121 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)N1CCn3c(nnc3C(F)(F)F)C1)(Cc1cc(F)c(F)cc1F)CC2=O ZINC000587464122 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COS(=O)(=O)C(F)(F)F)(c1ccc(Br)cc1)CC2=O ZINC000587464644 KJ Annotated Unstable CCCc1c(O)ccc2c1O[C@](COS(=O)(=O)C(F)(F)F)(c1ccc(Br)cc1)CC2=O ZINC000587464645 KJ Annotated Unstable CCCc1c(O)ccc2c1O[C@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C)CC2=O ZINC000587465375 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C)CC2=O ZINC000587465382 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587465502 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587465503 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@@]13OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]13C)CC2=O ZINC000587466062 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@]13OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587466068 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@]13OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]13C)CC2=O ZINC000587466071 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@]13OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]13C)CC2=O ZINC000587466078 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@]13OC(C)(C)O[C@@H]1C[C@H]1[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587466083 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CO)([C@@]13OC(C)(C)O[C@@H]1C[C@H]1[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587466088 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)OCC)Oc3ccc(I)cc31)CC2=O ZINC000587466820 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)OCC)Oc3ccc(I)cc31)CC2=O ZINC000587467020 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587467787 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587467788 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3nn(C)cc3I)cc1)CC2=O ZINC000587468115 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3nn(C)cc3I)cc1)CC2=O ZINC000587468116 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC[C@H]1C(=O)C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@H]13)(CNc1c(O)ccc(C(=O)O)c1O)CC2=O ZINC000587468237 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CC[C@H]1C(=O)C=C[C@@]3(C)[C@H]1[C@@H]1CC[C@H]3O1)(CNc1c(O)ccc(C(=O)O)c1O)CC2=O ZINC000587468242 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CC[C@@H]1C(=O)C=C[C@@]3(C)[C@H]1[C@@H]1CC[C@H]3O1)(CNc1c(O)ccc(C(=O)O)c1O)CC2=O ZINC000587468245 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CC[C@@H]1C(=O)C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@H]13)(CNc1c(O)ccc(C(=O)O)c1O)CC2=O ZINC000587468248 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1F)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587468679 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1F)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587468683 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c1=O)CC2=O ZINC000587469434 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c1=O)CC2=O ZINC000587469435 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587469582 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587469586 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3c(I)cnn3C)c1)CC2=O ZINC000587469629 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3c(I)cnn3C)c1)CC2=O ZINC000587469633 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@@H](C)C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587469980 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@H](C)C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587469983 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@H](C)C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587469985 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@@H](C)C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587469987 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2Oc2c(CO)ccc(NCCN(C)C)c21 ZINC000587470361 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(O)ccc2Oc2c(CO)ccc(NCCN(C)C)c21 ZINC000587470362 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(I)cc(C(F)(F)F)c21 ZINC000587470756 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(I)cc(C(F)(F)F)c21 ZINC000587470757 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCN(Cc3ccccc3)CC1)(c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O ZINC000587471442 KJ Annotated Bother CCCc1c(O)ccc2c1O[C@](C(=O)N1CCN(Cc3ccccc3)CC1)(c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O ZINC000587471443 KJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(I)cc(I)c1O)CC2=O ZINC000587471699 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)cc(I)c1O)CC2=O ZINC000587471700 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587472223 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587472224 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587472225 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587472226 KJ Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587472740 KJ Annotated Anodyne CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587472741 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(I)c(O)c(Br)n1)CC2=O ZINC000587472841 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)c(O)c(Br)n1)CC2=O ZINC000587472844 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc21 ZINC000587472988 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(OC)=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc21 ZINC000587472992 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(N)=C(OC)C(=O)c2ccc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)nc21 ZINC000587473414 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(N)=C(OC)C(=O)c2ccc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)nc21 ZINC000587473415 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c1)CC2=O ZINC000587474270 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c1)CC2=O ZINC000587474271 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12CN(c1ccc(CC)cc1)C(=O)O2 ZINC000587475549 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12CN(c1ccc(CC)cc1)C(=O)O2 ZINC000587475550 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1nc(C(=O)OCC)cc1C(=O)OCC)(c1ccc(C)cc1)CC2=O ZINC000587475694 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1nc(C(=O)OCC)cc1C(=O)OCC)(c1ccc(C)cc1)CC2=O ZINC000587475697 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(=O)OC)c1)CC2=O ZINC000587477237 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(=O)OC)c1)CC2=O ZINC000587477240 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587479648 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587479652 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccccc4OC)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587480798 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccccc4OC)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587480803 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1C)([C@]1(O)C[C@H](OC)O[C@@H]1[C@@H](O)C(=O)c1ccccc1C)CC2=O ZINC000587481230 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1C)([C@]1(O)C[C@H](OC)O[C@@H]1[C@H](O)C(=O)c1ccccc1C)CC2=O ZINC000587481239 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1C)([C@]1(O)C[C@@H](OC)O[C@@H]1[C@H](O)C(=O)c1ccccc1C)CC2=O ZINC000587481243 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1C)([C@]1(O)C[C@@H](OC)O[C@@H]1[C@@H](O)C(=O)c1ccccc1C)CC2=O ZINC000587481245 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587481735 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587481747 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC[C@H]3C=C(C(=O)OCC)NO3)ccc3ccccc13)CC2=O ZINC000587481816 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC[C@@H]3C=C(C(=O)OCC)NO3)ccc3ccccc13)CC2=O ZINC000587481825 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC[C@@H]3C=C(C(=O)OCC)NO3)ccc3ccccc13)CC2=O ZINC000587481827 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC[C@H]3C=C(C(=O)OCC)NO3)ccc3ccccc13)CC2=O ZINC000587481828 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](O)[C@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587482583 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](O)[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587482586 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](O)[C@@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587482594 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587482598 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587483253 KJ Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587483255 KJ Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587483344 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587483367 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(OC)=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c21 ZINC000587484576 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c21 ZINC000587484578 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(OC)c1)CC2=O ZINC000587484977 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(OC)c1)CC2=O ZINC000587484983 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000587485375 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000587485385 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000587485396 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000587485399 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@@]13OC(C)(C)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587485644 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@]13OC(C)(C)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587485649 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2=O ZINC000587485888 KJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2=O ZINC000587485889 KJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@H]13 ZINC000587486410 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@@H]13 ZINC000587486419 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@H]13 ZINC000587486428 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@@H]13 ZINC000587486434 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)N(CC)CC)cc1)CC2=O ZINC000587487157 KJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)N(CC)CC)cc1)CC2=O ZINC000587487184 KJ Annotated Reactive C=C1N[C@]2([C@]3(COC(C)=O)CC(=O)c4ccc(O)c(CCC)c4O3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587487215 KJ Annotated Mild C=C1N[C@]2([C@@]3(COC(C)=O)CC(=O)c4ccc(O)c(CCC)c4O3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587487270 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587487379 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587487383 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(OC)c2C(=O)c2ccc3c(c21)C(=O)C[C@](C)(O)C3 ZINC000587487666 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(OC)c2C(=O)c2ccc3c(c21)C(=O)C[C@](C)(O)C3 ZINC000587487672 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587487915 KJ Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587487916 KJ Annotated Clean CCCc1c(O)ccc2c1O[C@](CN1C(=O)c3ccccc3C1=O)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587487972 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1C(=O)c3ccccc3C1=O)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587487978 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnn(S(=O)(=O)c3ccc(C)cc3)c1)(c1cc(OC)ccc1O)CC2=O ZINC000587488239 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnn(S(=O)(=O)c3ccc(C)cc3)c1)(c1cc(OC)ccc1O)CC2=O ZINC000587488248 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)CC2=O ZINC000587488406 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)CC2=O ZINC000587488410 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587488412 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587488415 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587488417 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587488419 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCC(=O)O[C@H]1[C@H](SCC)O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]1O)CC2=O ZINC000587489115 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCC(=O)O[C@H]1[C@H](SCC)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]1O)CC2=O ZINC000587489121 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCC(=O)O[C@H]1[C@H](SCC)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]1O)CC2=O ZINC000587489123 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCC(=O)O[C@H]1[C@H](SCC)O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]1O)CC2=O ZINC000587489126 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(=O)CCC(=O)O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)CC2=O ZINC000587489460 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](COC(=O)CCC(=O)O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)CC2=O ZINC000587489476 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3c1cc1c(=O)cc(C(=O)O)n(CC)c1c3CCC)CC2=O ZINC000587489697 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3c1cc1c(=O)cc(C(=O)O)n(CC)c1c3CCC)CC2=O ZINC000587489708 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c1C)CC2=O ZINC000587489874 KJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c1C)CC2=O ZINC000587489876 KJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2nc3ccccc3c(O)c2C(=O)c2[nH]c3ccccc3c(=O)c21 ZINC000587490033 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2nc3ccccc3c(O)c2C(=O)c2[nH]c3ccccc3c(=O)c21 ZINC000587490038 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc3c(c2C(=O)c2cccc(OC)c21)C(=O)C[C@](C)(O)C3 ZINC000587490327 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc3c(c2C(=O)c2cccc(OC)c21)C(=O)C[C@](C)(O)C3 ZINC000587490331 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1C)([C@H](O)[C@H]1O[C@@H](OC)C[C@@]1(O)C(=O)c1ccccc1C)CC2=O ZINC000587490438 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1C)([C@H](O)[C@H]1O[C@H](OC)C[C@@]1(O)C(=O)c1ccccc1C)CC2=O ZINC000587490441 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1C)([C@@H](O)[C@H]1O[C@H](OC)C[C@@]1(O)C(=O)c1ccccc1C)CC2=O ZINC000587490443 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1C)([C@@H](O)[C@H]1O[C@@H](OC)C[C@@]1(O)C(=O)c1ccccc1C)CC2=O ZINC000587490446 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@@]1(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587490868 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CO)([C@@]1(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587490870 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CN3C(=O)CS/C3=C\C(=O)OCC)c1)CC2=O ZINC000587493227 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CN3C(=O)CS/C3=C/C(=O)OCC)c1)CC2=O ZINC000587493236 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CN3C(=O)CS/C3=C\C(=O)OCC)c1)CC2=O ZINC000587493238 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CN3C(=O)CS/C3=C/C(=O)OCC)c1)CC2=O ZINC000587493240 KJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OC)c1)CC2=O ZINC000587493980 KJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OC)c1)CC2=O ZINC000587493981 KJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C/C(=C(\c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)O)C=CC1=O ZINC000587494065 KJ Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C/C(=C(\c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)O)C=CC1=O ZINC000587494068 KJ Annotated Mild CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(=O)N(C)C ZINC000587497054 KJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(=O)N(C)C ZINC000587497057 KJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587497984 KJ Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587497997 KJ Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587498002 KJ Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587498007 KJ Annotated Reactive O=C1C[C@@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587498721 KJ Annotated Anodyne O=C1C[C@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587498727 KJ Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587499570 KJ Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587499571 KJ Annotated Reactive CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501593 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501597 KJ Annotated Bother CN(C)CCNc1ccc(CO)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(O)ccc1O2 ZINC000587503751 KJ Annotated Anodyne CN(C)CCNc1ccc(CO)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(O)ccc1O2 ZINC000587503761 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504768 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504770 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504904 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504909 KJ Annotated Anodyne CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587505353 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587505354 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587505357 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587505362 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587505366 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587505371 KJ Annotated Mild C[C@@H](NC(=O)CCC(=O)O)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506200 KJ Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506204 KJ Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506207 KJ Annotated Anodyne C[C@@H](NC(=O)CCC(=O)O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506210 KJ Annotated Anodyne O=C1C[C@@H](c2cc(I)c(O)c(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587506333 KJ Annotated Anodyne O=C1C[C@H](c2cc(I)c(O)c(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587506361 KJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(I)ccc2O1 ZINC000587506364 KJ Annotated Anodyne CCOC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(I)ccc2O1 ZINC000587506379 KJ Annotated Anodyne Cn1cc(I)c(C(=O)Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 ZINC000587507047 KJ Annotated Anodyne Cn1cc(I)c(C(=O)Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 ZINC000587507050 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C(=O)C=C1[C@@H](N)CC2 ZINC000587507209 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C(=O)C=C1[C@@H](N)CC2 ZINC000587507212 KJ Annotated Mild O=C1C[C@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587507938 KJ Annotated Anodyne O=C1C[C@@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587507940 KJ Annotated Anodyne Cn1ncc(I)c1C(=O)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508241 KJ Annotated Anodyne Cn1ncc(I)c1C(=O)Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508244 KJ Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587508618 KJ Annotated Anodyne COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587508627 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@H](C)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508818 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508830 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508831 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508834 KJ Annotated Anodyne O=C1C[C@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587508878 KJ Annotated Mild O=C1C[C@@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587508883 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508949 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508950 KJ Annotated Mild O=C1C[C@@](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)(Cc2cc(F)c(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587509513 KJ Annotated Anodyne O=C1C[C@](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)(Cc2cc(F)c(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587509520 KJ Annotated Anodyne COC1=C(N)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587509792 KJ Annotated Mild COC1=C(N)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587509797 KJ Annotated Mild CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)NC(=O)OCc1ccccc1 ZINC000587510111 KJ Annotated Anodyne CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)NC(=O)OCc1ccccc1 ZINC000587510115 KJ Annotated Anodyne CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)NC(=O)OCc1ccccc1 ZINC000587510120 KJ Annotated Anodyne CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)NC(=O)OCc1ccccc1 ZINC000587510121 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(=O)OCC)n1 ZINC000587510248 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(=O)OCC)n1 ZINC000587510268 KJ Annotated Anodyne O=C1C[C@@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)Oc2c1ccc1c2CCCC1 ZINC000587510698 KJ Annotated Anodyne O=C1C[C@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)Oc2c1ccc1c2CCCC1 ZINC000587510701 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(=O)OCC)n1 ZINC000587511140 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(=O)OCC)n1 ZINC000587511142 KJ Annotated Anodyne CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512617 KJ Annotated Anodyne CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512621 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587513580 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587513582 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587514605 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587514606 KJ Annotated Anodyne C[C@@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515830 KJ Annotated Anodyne C[C@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515831 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587517020 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587517021 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517206 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517207 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517208 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517209 KJ Annotated Anodyne Cn1c(=O)c(=O)n(C[C@@]2(c3ccc4c(c3)CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518620 KJ Annotated Anodyne Cn1c(=O)c(=O)n(C[C@]2(c3ccc4c(c3)CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518656 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34CC(=O)c3ccc5c(c3O4)CCCC5)OC2=O)cc1 ZINC000587518996 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34CC(=O)c3ccc5c(c3O4)CCCC5)OC2=O)cc1 ZINC000587518997 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587519329 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587519330 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519331 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519332 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)CC2)cc1 ZINC000587521081 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)CC2)cc1 ZINC000587521086 KJ Annotated Clean CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521196 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521202 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587523025 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587523026 KJ Annotated Anodyne C=CC(C)(C)[C@@]12C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587523970 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587523975 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587523980 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587523986 KJ Annotated Mild Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587526229 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587526235 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587526884 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587526888 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527232 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527239 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)CC2)cc1 ZINC000587527285 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)CC2)cc1 ZINC000587527289 KJ Annotated Clean Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587527317 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587527318 KJ Annotated Anodyne O=C1C[C@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587527331 KJ Annotated Anodyne O=C1C[C@@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587527332 KJ Annotated Anodyne C=C1N[C@]2([C@@]3(COC(C)=O)CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587527744 KJ Annotated Mild C=C1N[C@]2([C@]3(COC(C)=O)CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587527745 KJ Annotated Mild Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587527868 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587527901 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587527998 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587527999 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)CC2)cc1 ZINC000587528022 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)CC2)cc1 ZINC000587528023 KJ Annotated Clean Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587528321 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587528322 KJ Annotated Anodyne O=C1C[C@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587528351 KJ Annotated Anodyne O=C1C[C@@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587528352 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587528353 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587528354 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@]4(CO)CC(=O)c5ccc6c(c5O4)CCCC6)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587528849 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@@]4(CO)CC(=O)c5ccc6c(c5O4)CCCC6)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587528852 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529001 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529002 KJ Annotated Mild COc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587529891 KJ Annotated Anodyne COc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587529892 KJ Annotated Anodyne O=C1C[C@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530062 KJ Annotated Reactive O=C1C[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530075 KJ Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530299 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530306 KJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530801 KJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530802 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21CC(=O)c2ccc4c(c2O1)CCCC4)C(=O)C[C@](C)(O)C3 ZINC000587531310 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@]21CC(=O)c2ccc4c(c2O1)CCCC4)C(=O)C[C@](C)(O)C3 ZINC000587531311 KJ Annotated Anodyne O=C1C[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531734 KJ Annotated Reactive O=C1C[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531741 KJ Annotated Reactive COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532059 KJ Annotated Anodyne COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532065 KJ Annotated Anodyne O=C1C[C@@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587532161 KJ Annotated Mild O=C1C[C@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587532168 KJ Annotated Mild O=C1C[C@@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Oc2c1ccc1c2CCCC1 ZINC000587532568 KJ Annotated Anodyne O=C1C[C@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Oc2c1ccc1c2CCCC1 ZINC000587532569 KJ Annotated Anodyne CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@]31CC(=O)c2ccc3c(c2O1)CCCC3)C4(C)C ZINC000587532893 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3)C4(C)C ZINC000587532897 KJ Annotated Reactive CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587532900 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@@]2(c3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587532901 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@@]2(c3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587532902 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587532903 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533285 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533299 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533694 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533697 KJ Annotated Reactive O=C1C[C@@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587533795 KJ Annotated Clean O=C1C[C@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587533797 KJ Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587533798 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533800 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533801 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533802 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533803 KJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@H]2C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587533805 KJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587533806 KJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@H]2C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587533807 KJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587533810 KJ Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587533811 KJ Annotated Bother CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@@H](O)[C@]2(c3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587534218 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587534220 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587534221 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@@H](O)[C@@]2(c3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587534223 KJ Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587534337 KJ Annotated Clean Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587534338 KJ Annotated Clean COc1cc2c(c(O)c1OC)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(O)cc1)O2 ZINC000587535180 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(O)cc1)O2 ZINC000587535181 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(O)cc1)O2 ZINC000587535182 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(O)cc1)O2 ZINC000587535185 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536215 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536216 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536217 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536218 KJ Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](O)O2)[C@H]1CC[C@@H]3[C@@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536269 KJ Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](O)O2)[C@H]1CC[C@@H]3[C@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536270 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587536832 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587536833 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587536834 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587536835 KJ Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536962 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536963 KJ Annotated Mild C[C@]12CC[C@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536976 KJ Annotated Anodyne C[C@@]12CC[C@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536977 KJ Annotated Anodyne C[C@@]12CC[C@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536978 KJ Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536979 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)CCCN1C(=O)c2ccccc2C1=O ZINC000587537338 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)CCCN1C(=O)c2ccccc2C1=O ZINC000587537339 KJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)CCCN1C(=O)c2ccccc2C1=O ZINC000587537340 KJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)CCCN1C(=O)c2ccccc2C1=O ZINC000587537341 KJ Annotated Reactive CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587537406 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587537407 KJ Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587537408 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587537409 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587538235 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587538236 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587538237 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587538238 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C(Br)(Br)CBr ZINC000587538568 KJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C(Br)(Br)CBr ZINC000587538573 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(Br)(Br)CBr ZINC000587538575 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(Br)(Br)CBr ZINC000587538577 KJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587538633 KJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587538634 KJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587538635 KJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587538636 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587538737 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587538738 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587538739 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587538742 KJ Annotated Anodyne O=C(CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)Nc1cccc(Br)c1 ZINC000587539071 KJ Annotated Anodyne O=C(CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)Nc1cccc(Br)c1 ZINC000587539072 KJ Annotated Anodyne O=C(CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)Nc1cccc(Br)c1 ZINC000587539073 KJ Annotated Anodyne O=C(CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)Nc1cccc(Br)c1 ZINC000587539074 KJ Annotated Anodyne N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539583 KJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539584 KJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539585 KJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539586 KJ Annotated Mild O=C(O)COc1c(Br)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539827 KJ Annotated Anodyne O=C(O)COc1c(Br)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539828 KJ Annotated Anodyne O=C(O)COc1c(Br)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539829 KJ Annotated Anodyne O=C(O)COc1c(Br)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539830 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587539938 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587539940 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587539943 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587539945 KJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1Cc1ccc(Br)cc1 ZINC000587540010 KJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1Cc1ccc(Br)cc1 ZINC000587540012 KJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1Cc1ccc(Br)cc1 ZINC000587540014 KJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1Cc1ccc(Br)cc1 ZINC000587540016 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540086 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540087 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540088 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540089 KJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCC(=O)N(C)C ZINC000587540401 KJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCC(=O)N(C)C ZINC000587540402 KJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCC(=O)N(C)C ZINC000587540403 KJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCC(=O)N(C)C ZINC000587540404 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)/C(=C\Cl)N2 ZINC000587541207 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)/C(=C\Cl)N2 ZINC000587541208 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)/C(=C/Cl)N2 ZINC000587541209 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)/C(=C/Cl)N2 ZINC000587541210 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541639 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541640 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541641 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541642 KJ Annotated Bother O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587542686 KJ Annotated Mild O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587542691 KJ Annotated Mild O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587542693 KJ Annotated Mild O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587542697 KJ Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542712 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542714 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542716 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542719 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542896 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542904 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542906 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542908 KJ Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543104 KJ Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543105 KJ Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543108 KJ Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543109 KJ Annotated Anodyne CCN1N=C(Br)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3c(cc21)OCO3 ZINC000587543220 KJ Annotated Anodyne CCN1N=C(Br)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3c(cc21)OCO3 ZINC000587543225 KJ Annotated Anodyne CCN1N=C(Br)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3c(cc21)OCO3 ZINC000587543226 KJ Annotated Anodyne CCN1N=C(Br)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3c(cc21)OCO3 ZINC000587543228 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)=CC2=O ZINC000587544230 KJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)=CC2=O ZINC000587544239 KJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)=CC2=O ZINC000587544242 KJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)=CC2=O ZINC000587544244 KJ Annotated Mild O=C(CCl)NCc1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587545281 KJ Annotated Reactive O=C(CCl)NCc1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587545282 KJ Annotated Reactive O=C(CCl)NCc1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587545283 KJ Annotated Reactive O=C(CCl)NCc1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587545285 KJ Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Br)C1 ZINC000587545323 KJ Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Br)C1 ZINC000587545325 KJ Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Br)C1 ZINC000587545327 KJ Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Br)C1 ZINC000587545328 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 ZINC000587545450 KJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 ZINC000587545451 KJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 ZINC000587545452 KJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 ZINC000587545453 KJ Annotated Bother Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587545671 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587545685 KJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587545687 KJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587545688 KJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)OCC2=O ZINC000587546334 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)OCC2=O ZINC000587546339 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)OCC2=O ZINC000587546343 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)OCC2=O ZINC000587546346 KJ Annotated Anodyne O=C(NCCO)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587546483 KJ Annotated Anodyne O=C(NCCO)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587546490 KJ Annotated Anodyne O=C(NCCO)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587546491 KJ Annotated Anodyne O=C(NCCO)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587546492 KJ Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587546839 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587546843 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587546845 KJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587546846 KJ Annotated Reactive CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547094 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547095 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547096 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547097 KJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547334 KJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547335 KJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547336 KJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547337 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587547388 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587547389 KJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587547390 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587547391 KJ Annotated Reactive Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547670 KJ Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547673 KJ Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547677 KJ Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547681 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)N1CCN(c2ncccn2)CC1)c1c[nH]c2ccc(Br)cc12 ZINC000587547742 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)N1CCN(c2ncccn2)CC1)c1c[nH]c2ccc(Br)cc12 ZINC000587547743 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)N1CCN(c2ncccn2)CC1)c1c[nH]c2ccc(Br)cc12 ZINC000587547744 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)N1CCN(c2ncccn2)CC1)c1c[nH]c2ccc(Br)cc12 ZINC000587547745 KJ Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587548181 KJ Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587548184 KJ Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587548185 KJ Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587548186 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549602 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549604 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549606 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549608 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1(CCNCC1)Oc1ccc(Br)cc12 ZINC000587549809 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1(CCNCC1)Oc1ccc(Br)cc12 ZINC000587549810 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1(CCNCC1)Oc1ccc(Br)cc12 ZINC000587549813 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC1(CCNCC1)Oc1ccc(Br)cc12 ZINC000587549815 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587549908 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587549909 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587550010 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587550011 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550422 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550423 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550424 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550425 KJ Annotated Anodyne CC(=O)N(C1=C(Cl)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2C1=O)C1CC1 ZINC000587552019 KJ Annotated Mild CC(=O)N(C1=C(Cl)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2C1=O)C1CC1 ZINC000587552020 KJ Annotated Mild CC(=O)N(C1=C(Cl)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2C1=O)C1CC1 ZINC000587552021 KJ Annotated Mild CC(=O)N(C1=C(Cl)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2C1=O)C1CC1 ZINC000587552022 KJ Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587552301 KJ Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587552302 KJ Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587552303 KJ Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587552304 KJ Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587552430 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587552433 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587552436 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587552437 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 ZINC000587552848 KJ Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 ZINC000587552853 KJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 ZINC000587552854 KJ Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 ZINC000587552855 KJ Annotated Unstable C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2c(O)nc(O)nc2n1 ZINC000587553712 KJ Annotated Anodyne CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587554029 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587554030 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587554032 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587554038 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587554040 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587554043 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587554045 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587554046 KJ Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)C1CC1 ZINC000587554845 KJ Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)C1CC1 ZINC000587554849 KJ Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)C1CC1 ZINC000587554853 KJ Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)C1CC1 ZINC000587554854 KJ Annotated Mild COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C\C(=O)N[C@H]3C(=O)Cc4cc5c(O)nc(O)nc5nc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000587556483 KJ Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C\C(=O)N[C@@H]3C(=O)Cc4cc5c(O)nc(O)nc5nc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000587556485 KJ Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)N[C@@H]3C(=O)Cc4cc5c(O)nc(O)nc5nc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000587556489 KJ Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)N[C@H]3C(=O)Cc4cc5c(O)nc(O)nc5nc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000587556494 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000587556911 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000587556919 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000587556920 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000587556921 KJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556922 KJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556923 KJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556924 KJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556926 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557781 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557782 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557783 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557784 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)c(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558133 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)c(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558134 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)c(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558135 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)c(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558136 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3cc(F)ccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558169 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3cc(F)ccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558170 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3cc(F)ccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558171 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3cc(F)ccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558172 KJ Annotated Anodyne O=Cc1cc([C@]2(CN3CCC(C(F)(F)F)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587558994 KJ Annotated Anodyne O=Cc1cc([C@@]2(CN3CCC(C(F)(F)F)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587558999 KJ Annotated Anodyne O=Cc1cc([C@]2(CN3CCC(C(F)(F)F)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587559000 KJ Annotated Anodyne O=Cc1cc([C@@]2(CN3CCC(C(F)(F)F)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587559001 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559421 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559424 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559426 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559429 KJ Annotated Anodyne CC(=O)O[C@]1(c2ccc3c(O)nc(O)nc3n2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587560339 KJ Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587560859 KJ Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000587561072 KJ Annotated Mild C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)Cc5cc6c(O)nc(O)nc6nc5C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587561282 KJ Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)Cc5cc6c(O)nc(O)nc6nc5C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587561284 KJ Annotated Anodyne CC(=O)O[C@]1(C(C)=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 ZINC000587561417 KJ Annotated Anodyne CC(=O)S[C@@H]1CC2=Cc3nc4nc(O)nc(O)c4cc3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 ZINC000587563724 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(COc4cccc(OCC(C)C)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587565725 KJ Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587566287 KJ Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587566849 KJ Annotated Bother CCOC(=O)CCOCCCOCCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587566887 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566969 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566989 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566990 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566991 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567085 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567086 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567087 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567088 KJ Annotated Anodyne COc1ccc(I)c2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567277 KJ Annotated Anodyne COc1ccc(I)c2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567278 KJ Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567279 KJ Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567280 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587567369 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587567370 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587567371 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587567372 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567529 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567530 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567531 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567532 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567640 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567641 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567642 KJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567643 KJ Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587568076 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(O)c(Br)n1 ZINC000587568223 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(O)c(Br)n1 ZINC000587568225 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(O)c(Br)n1 ZINC000587568226 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(O)c(Br)n1 ZINC000587568227 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587568581 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587568582 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587568583 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587568584 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587568598 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587568600 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587568601 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587568602 KJ Annotated Anodyne Cn1ncc(I)c1C(=O)Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568627 KJ Annotated Anodyne Cn1ncc(I)c1C(=O)Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568628 KJ Annotated Anodyne Cn1ncc(I)c1C(=O)Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568629 KJ Annotated Anodyne Cn1ncc(I)c1C(=O)Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568630 KJ Annotated Anodyne COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587568690 KJ Annotated Anodyne COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587568691 KJ Annotated Anodyne COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587568692 KJ Annotated Anodyne COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587568694 KJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC(=O)N(C)C)c1 ZINC000587568813 KJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC(=O)N(C)C)c1 ZINC000587568816 KJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC(=O)N(C)C)c1 ZINC000587568818 KJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC(=O)N(C)C)c1 ZINC000587568820 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569011 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569012 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569013 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569014 KJ Annotated Anodyne COc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587569067 KJ Annotated Anodyne COc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587569071 KJ Annotated Anodyne COc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587569072 KJ Annotated Anodyne COc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587569073 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587569321 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587569324 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587569326 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587569327 KJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569403 KJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569404 KJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569405 KJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569406 KJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1I ZINC000587569433 KJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1I ZINC000587569434 KJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1I ZINC000587569435 KJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1I ZINC000587569436 KJ Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569908 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569909 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569910 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569911 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCN(c3ccccc3F)CC2)nc2ccccn2c1=O ZINC000587569912 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCN(c3ccccc3F)CC2)nc2ccccn2c1=O ZINC000587569913 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCN(c3ccccc3F)CC2)nc2ccccn2c1=O ZINC000587569914 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCN(c3ccccc3F)CC2)nc2ccccn2c1=O ZINC000587569915 KJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1OC ZINC000587570209 KJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1OC ZINC000587570210 KJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1OC ZINC000587570211 KJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1OC ZINC000587570212 KJ Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587570554 KJ Annotated Anodyne COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587570559 KJ Annotated Anodyne COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587570560 KJ Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587570561 KJ Annotated Anodyne CCCCn1cc([C@]2(c3cc(F)ccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C#N)c1=O ZINC000587570572 KJ Annotated Mild CCCCn1cc([C@]2(c3cc(F)ccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C#N)c1=O ZINC000587570575 KJ Annotated Mild CCCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C#N)c1=O ZINC000587570578 KJ Annotated Mild CCCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C#N)c1=O ZINC000587570580 KJ Annotated Mild CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587571540 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587571543 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587571544 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587571545 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(I)cnn1[C@H]1CCCCO1 ZINC000587571565 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(I)cnn1[C@H]1CCCCO1 ZINC000587571566 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(I)cnn1[C@@H]1CCCCO1 ZINC000587571567 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(I)cnn1[C@@H]1CCCCO1 ZINC000587571568 KJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1O ZINC000587571630 KJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1O ZINC000587571631 KJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1O ZINC000587571632 KJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1O ZINC000587571633 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c2ccnc-2[nH]c(I)c1F ZINC000587571961 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccnc-2[nH]c(I)c1F ZINC000587571962 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccnc-2[nH]c(I)c1F ZINC000587571963 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c2ccnc-2[nH]c(I)c1F ZINC000587571964 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571993 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571994 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571995 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571996 KJ Annotated Anodyne Cn1cc(I)c(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587572283 KJ Annotated Anodyne Cn1cc(I)c(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587572284 KJ Annotated Anodyne Cn1cc(I)c(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587572285 KJ Annotated Anodyne Cn1cc(I)c(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587572286 KJ Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(I)ccc2O1 ZINC000587572522 KJ Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(I)ccc2O1 ZINC000587572527 KJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(I)ccc2O1 ZINC000587572528 KJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(I)ccc2O1 ZINC000587572529 KJ Annotated Anodyne COc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(I)=CO2 ZINC000587572838 KJ Annotated Anodyne COc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(I)=CO2 ZINC000587572846 KJ Annotated Anodyne COc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(I)=CO2 ZINC000587572850 KJ Annotated Anodyne COc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(I)=CO2 ZINC000587572855 KJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573380 KJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573384 KJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573385 KJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573387 KJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573503 KJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573504 KJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573505 KJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573506 KJ Annotated Anodyne C[C@]1(c2ccc(NC(=O)CI)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573576 KJ Annotated Reactive C[C@]1(c2ccc(NC(=O)CI)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573577 KJ Annotated Reactive C[C@@]1(c2ccc(NC(=O)CI)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573578 KJ Annotated Reactive C[C@@]1(c2ccc(NC(=O)CI)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573579 KJ Annotated Reactive C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587573605 KJ Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587573608 KJ Annotated Mild C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587573609 KJ Annotated Mild C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587573610 KJ Annotated Mild CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587573762 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587573767 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587573769 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587573772 KJ Annotated Bother CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573862 KJ Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573865 KJ Annotated Anodyne CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573867 KJ Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573870 KJ Annotated Anodyne N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574067 KJ Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574071 KJ Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574072 KJ Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574073 KJ Annotated Reactive CNc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587574701 KJ Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587574702 KJ Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587574703 KJ Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587574704 KJ Annotated Bother CN(C)CCNc1ccc(CO)c2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(O)ccc1O2 ZINC000587574852 KJ Annotated Anodyne CN(C)CCNc1ccc(CO)c2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(O)ccc1O2 ZINC000587574853 KJ Annotated Anodyne CN(C)CCNc1ccc(CO)c2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(O)ccc1O2 ZINC000587574855 KJ Annotated Anodyne CN(C)CCNc1ccc(CO)c2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(O)ccc1O2 ZINC000587574857 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)N1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587574937 KJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)N1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587574938 KJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)N1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587574939 KJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)N1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587574940 KJ Annotated Bother O=C1c2c([N+](=O)[O-])cccc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587575700 KJ Annotated Bother O=C1c2c([N+](=O)[O-])cccc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587575701 KJ Annotated Bother CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575762 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575763 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575764 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575765 KJ Annotated Anodyne COC1=C(N)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587576664 KJ Annotated Mild COC1=C(N)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587576672 KJ Annotated Mild COC1=C(N)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587576675 KJ Annotated Mild COC1=C(N)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587576678 KJ Annotated Mild CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(=O)OCC)n1 ZINC000587576842 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(=O)OCC)n1 ZINC000587576846 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(=O)OCC)n1 ZINC000587576848 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(=O)OCC)n1 ZINC000587576849 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576930 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576931 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576932 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576933 KJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587576972 KJ Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587576973 KJ Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587576974 KJ Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587576975 KJ Annotated Bother CN(C)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577558 KJ Annotated Bother CN(C)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577559 KJ Annotated Bother CN(C)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577560 KJ Annotated Bother CN(C)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577561 KJ Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587578296 KJ Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587578299 KJ Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587578300 KJ Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587578301 KJ Annotated Bother O=C1c2cccc([N+](=O)[O-])c2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] ZINC000587578325 KJ Annotated Bother O=C1c2cccc([N+](=O)[O-])c2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] ZINC000587578328 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000587578707 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000587578708 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000587578709 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000587578710 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000587578756 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000587578757 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000587578759 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000587578761 KJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587579058 KJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587579061 KJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587579062 KJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587579063 KJ Annotated Bother O=C1c2cccc([N+](=O)[O-])c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587579133 KJ Annotated Bother O=C1c2cccc([N+](=O)[O-])c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587579134 KJ Annotated Bother O=C1c2cccc([N+](=O)[O-])c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587579136 KJ Annotated Bother O=C1c2cccc([N+](=O)[O-])c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587579139 KJ Annotated Bother CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587579231 KJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587579232 KJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587579233 KJ Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587579235 KJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587579434 KJ Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587579435 KJ Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587579436 KJ Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587579437 KJ Annotated Bother CCOC(=O)C(=CNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)OCC ZINC000587580212 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)OCC ZINC000587580213 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)OCC ZINC000587580214 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)OCC ZINC000587580215 KJ Annotated Anodyne COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580224 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580225 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580226 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580227 KJ Annotated Mild CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580250 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580251 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580252 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580253 KJ Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587580596 KJ Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587580597 KJ Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587580598 KJ Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587580599 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581011 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581014 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581016 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581018 KJ Annotated Anodyne O=C(O)c1cccc(-n2cc([C@]3(c4ccccc4O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 ZINC000587581218 KJ Annotated Anodyne O=C(O)c1cccc(-n2cc([C@]3(c4ccccc4O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 ZINC000587581219 KJ Annotated Anodyne O=C(O)c1cccc(-n2cc([C@@]3(c4ccccc4O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 ZINC000587581220 KJ Annotated Anodyne O=C(O)c1cccc(-n2cc([C@@]3(c4ccccc4O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 ZINC000587581221 KJ Annotated Anodyne O=C(ON1C(=O)CCC1=O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581577 KJ Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581580 KJ Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581581 KJ Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581582 KJ Annotated Mild CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@]1(c2ccc(N(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582190 KJ Annotated Bother CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@@]1(c2ccc(N(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582192 KJ Annotated Bother CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@]1(c2ccc(N(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582195 KJ Annotated Bother CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@@]1(c2ccc(N(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582196 KJ Annotated Bother C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582269 KJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582270 KJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582271 KJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582272 KJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582273 KJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582275 KJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582280 KJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582282 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587582984 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587582985 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587582986 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587582987 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587583053 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587583055 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587583056 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587583057 KJ Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583758 KJ Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583759 KJ Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583760 KJ Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583761 KJ Annotated Anodyne Nc1ccccc1[C@@]1(CCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583817 KJ Annotated Anodyne Nc1ccccc1[C@]1(CCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583819 KJ Annotated Anodyne Nc1ccccc1[C@]1(CCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583821 KJ Annotated Anodyne Nc1ccccc1[C@@]1(CCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583823 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587583958 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587583959 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587583960 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587583961 KJ Annotated Anodyne NN1C(=O)c2cccc3c([C@@]4(c5ccccc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)ccc(c23)C1=O ZINC000587584555 KJ Annotated Anodyne NN1C(=O)c2cccc3c([C@]4(c5ccccc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)ccc(c23)C1=O ZINC000587584556 KJ Annotated Anodyne NN1C(=O)c2cccc3c([C@@]4(c5ccccc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)ccc(c23)C1=O ZINC000587584557 KJ Annotated Anodyne NN1C(=O)c2cccc3c([C@]4(c5ccccc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)ccc(c23)C1=O ZINC000587584558 KJ Annotated Anodyne CCOC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587584575 KJ Annotated Anodyne CCOC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587584576 KJ Annotated Anodyne CCOC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587584577 KJ Annotated Anodyne CCOC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587584578 KJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587586149 KJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587586150 KJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587586151 KJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587586152 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586446 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586448 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586451 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586453 KJ Annotated Anodyne O=C1c2[nH]c3ccccc3c(=O)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2nc3ccccc3c(O)c21 ZINC000587587332 KJ Annotated Anodyne O=C1c2[nH]c3ccccc3c(=O)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2nc3ccccc3c(O)c21 ZINC000587587334 KJ Annotated Anodyne O=C1c2[nH]c3ccccc3c(=O)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2nc3ccccc3c(O)c21 ZINC000587587335 KJ Annotated Anodyne O=C1c2[nH]c3ccccc3c(=O)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2nc3ccccc3c(O)c21 ZINC000587587337 KJ Annotated Anodyne O=C(Nc1ccccn1)c1nc[nH]c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587392 KJ Annotated Anodyne O=C(Nc1ccccn1)c1nc[nH]c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587393 KJ Annotated Anodyne O=C(Nc1ccccn1)c1nc[nH]c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587394 KJ Annotated Anodyne O=C(Nc1ccccn1)c1nc[nH]c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587395 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)CC2)cc1 ZINC000587588709 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)CC2)cc1 ZINC000587588711 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)CC2)cc1 ZINC000587588713 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)CC2)cc1 ZINC000587588715 KJ Annotated Clean Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587589049 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587589051 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587589052 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587589053 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587589340 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587589343 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587589345 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587589348 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)CC2)cc1 ZINC000587590135 KJ Annotated Clean CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590136 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)CC2)cc1 ZINC000587590137 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)CC2)cc1 ZINC000587590138 KJ Annotated Clean CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590139 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)CC2)cc1 ZINC000587590140 KJ Annotated Clean CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590142 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590143 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587590236 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587590237 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587590239 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587590242 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590307 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590308 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590309 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590310 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587590585 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587590588 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587590592 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587590595 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590910 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590911 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590912 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590913 KJ Annotated Anodyne C[C@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591003 KJ Annotated Anodyne C[C@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591010 KJ Annotated Anodyne C[C@@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591013 KJ Annotated Anodyne C[C@@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591016 KJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC000587591068 KJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC000587591073 KJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC000587591078 KJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC000587591080 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34Oc3ccccc3C(=O)[C@@H]4C(=O)c3ccco3)OC2=O)cc1 ZINC000587591530 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34Oc3ccccc3C(=O)[C@@H]4C(=O)c3ccco3)OC2=O)cc1 ZINC000587591535 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34Oc3ccccc3C(=O)[C@H]4C(=O)c3ccco3)OC2=O)cc1 ZINC000587591541 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34Oc3ccccc3C(=O)[C@H]4C(=O)c3ccco3)OC2=O)cc1 ZINC000587591548 KJ Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587592058 KJ Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587592059 KJ Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587592060 KJ Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587592061 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587592481 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587592485 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587592487 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587592491 KJ Annotated Anodyne COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592516 KJ Annotated Anodyne COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592530 KJ Annotated Anodyne COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592533 KJ Annotated Anodyne COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592535 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592695 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592696 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592697 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592698 KJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594219 KJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594220 KJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594222 KJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594223 KJ Annotated Anodyne C=C1N[C@]2([C@@]3(COC(C)=O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587594389 KJ Annotated Mild C=C1N[C@]2([C@]3(COC(C)=O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587594400 KJ Annotated Mild C=C1N[C@]2([C@]3(COC(C)=O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587594403 KJ Annotated Mild C=C1N[C@]2([C@@]3(COC(C)=O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587594404 KJ Annotated Mild COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594466 KJ Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594476 KJ Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594479 KJ Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594483 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587594509 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587594510 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587594514 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587594517 KJ Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587595539 KJ Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587595543 KJ Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587595545 KJ Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587595546 KJ Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ON1 ZINC000587595917 KJ Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ON1 ZINC000587595918 KJ Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ON1 ZINC000587596214 KJ Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ON1 ZINC000587596217 KJ Annotated Anodyne Cc1cccc(NC(=O)CN2C(=O)[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587598157 KJ Annotated Anodyne Cc1cccc(NC(=O)CN2C(=O)[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587598160 KJ Annotated Anodyne Cc1cccc(NC(=O)CN2C(=O)[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587598162 KJ Annotated Anodyne Cc1cccc(NC(=O)CN2C(=O)[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587598164 KJ Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587605128 KJ Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587605146 KJ Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587605148 KJ Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587605151 KJ Annotated Clean Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587605204 KJ Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587605208 KJ Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587605209 KJ Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587605211 KJ Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587605380 KJ Annotated Clean Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587605383 KJ Annotated Clean Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587605385 KJ Annotated Clean Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587605387 KJ Annotated Clean CS(=O)(=O)CCSc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605422 KJ Annotated Anodyne CS(=O)(=O)CCSc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605424 KJ Annotated Anodyne CS(=O)(=O)CCSc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605425 KJ Annotated Anodyne CS(=O)(=O)CCSc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605426 KJ Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587605669 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587605673 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587605675 KJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587605679 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605889 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605890 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605891 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605892 KJ Annotated Reactive C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@]1(CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605969 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@@]1(CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605970 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@@]1(CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605971 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@]1(CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605972 KJ Annotated Mild C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606029 KJ Annotated Unstable C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606030 KJ Annotated Unstable C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606031 KJ Annotated Unstable C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606032 KJ Annotated Unstable Cn1c(CO)cnc1SC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606292 KJ Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606300 KJ Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606301 KJ Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606303 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000587606335 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000587606336 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000587606337 KJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000587606338 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587606384 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587606385 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587606386 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587606387 KJ Annotated Reactive COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606781 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606782 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606783 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606784 KJ Annotated Anodyne COc1c(O)cc2c(c1O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(c1ccc(O)cc1)=CO2 ZINC000587606837 KJ Annotated Anodyne COc1c(O)cc2c(c1O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(c1ccc(O)cc1)=CO2 ZINC000587606838 KJ Annotated Anodyne COc1c(O)cc2c(c1O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(c1ccc(O)cc1)=CO2 ZINC000587606839 KJ Annotated Anodyne COc1c(O)cc2c(c1O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(c1ccc(O)cc1)=CO2 ZINC000587606840 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 ZINC000587606953 KJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 ZINC000587606954 KJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 ZINC000587606955 KJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 ZINC000587606956 KJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C/C(=C(\c1ccc(O)c(O)c1)c1ccccc1S(=O)(=O)O)C=CC2=O ZINC000587607168 KJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C/C(=C(\c1ccc(O)c(O)c1)c1ccccc1S(=O)(=O)O)C=CC2=O ZINC000587607174 KJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C/C(=C(\c1ccc(O)c(O)c1)c1ccccc1S(=O)(=O)O)C=CC2=O ZINC000587607176 KJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C/C(=C(\c1ccc(O)c(O)c1)c1ccccc1S(=O)(=O)O)C=CC2=O ZINC000587607177 KJ Annotated Mild O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587607482 KJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587607487 KJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587607489 KJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587607492 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587607507 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587607512 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587607513 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587607514 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000587608136 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000587608137 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000587608138 KJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000587608139 KJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000587609206 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000587609207 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000587609208 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000587609209 KJ Annotated Anodyne COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587609359 KJ Annotated Anodyne COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587609360 KJ Annotated Anodyne COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587609361 KJ Annotated Anodyne COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587609362 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)CC1 ZINC000587609737 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)CC1 ZINC000587609741 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)CC1 ZINC000587609742 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)CC1 ZINC000587609744 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(S(=O)(=O)Cl)cc1 ZINC000587609804 KJ Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)Cl)cc1 ZINC000587609808 KJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)Cl)cc1 ZINC000587609811 KJ Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(S(=O)(=O)Cl)cc1 ZINC000587609813 KJ Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609961 KJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609973 KJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609974 KJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609975 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)C[C@](C)(O)C3 ZINC000587610735 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)C[C@](C)(O)C3 ZINC000587610741 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)C[C@](C)(O)C3 ZINC000587610744 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)C[C@](C)(O)C3 ZINC000587610746 KJ Annotated Anodyne COc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587610866 KJ Annotated Anodyne COc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587610871 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587610905 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587610910 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587610913 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587610916 KJ Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587611141 KJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587611147 KJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587611149 KJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587611152 KJ Annotated Reactive COc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587611238 KJ Annotated Anodyne COc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587611242 KJ Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587611316 KJ Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587611318 KJ Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587611320 KJ Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587611322 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612069 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612071 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612074 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612077 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612089 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612092 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612094 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612097 KJ Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587612647 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587612652 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587612653 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587612654 KJ Annotated Reactive CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587613064 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587613065 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587613066 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587613067 KJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613684 KJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613685 KJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613686 KJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613687 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)C[C@H](CCc1ccccc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000587613932 KJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)C[C@H](CCc1ccccc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000587613934 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)C[C@H](CCc1ccccc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000587613935 KJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)C[C@H](CCc1ccccc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000587613938 KJ Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613983 KJ Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613986 KJ Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613987 KJ Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613989 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587614857 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587614858 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587614859 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587614860 KJ Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c1 ZINC000587615264 KJ Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c1 ZINC000587615265 KJ Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c1 ZINC000587615266 KJ Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c1 ZINC000587615267 KJ Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587615313 KJ Annotated Clean CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587615317 KJ Annotated Clean CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587615319 KJ Annotated Clean CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587615321 KJ Annotated Clean CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615504 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615505 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615506 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615507 KJ Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587615731 KJ Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587615742 KJ Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587615750 KJ Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587615756 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587615807 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587615811 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587615816 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587615821 KJ Annotated Anodyne CCOC(=O)c1c([C@@H](C)Br)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587616109 KJ Annotated Reactive CCOC(=O)c1c([C@H](C)Br)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587616110 KJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(CCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587616597 KJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587616960 KJ Annotated Reactive COC(=O)c1c(-c2ccccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617118 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(-n3nnn(-c4ccccc4Cl)c3=O)c2c1 ZINC000587617128 KJ Annotated Bother CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(Cl)cc1 ZINC000587617161 KJ Annotated Bother COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617166 KJ Annotated Bother CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617207 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(=O)NC3CC3)c2c1 ZINC000587617258 KJ Annotated Bother CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CCCCCl ZINC000587617272 KJ Annotated Reactive COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cccc(Cl)c1 ZINC000587617309 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cncc(Br)c3)c(C#N)c2c1 ZINC000587617359 KJ Annotated Mild CCn1ncc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)c1C ZINC000587617440 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cn(C)nc3C)c(C(=O)C(F)(F)Cl)c2c1 ZINC000587617607 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(CC(=O)O)c2c1 ZINC000587617625 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)o3)c(C#N)c2c1 ZINC000587617626 KJ Annotated Mild COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587617673 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587617674 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587617675 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587617676 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(=O)NC3CC3)c(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000587617688 KJ Annotated Bother COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617713 KJ Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CC(=O)O)c(Cl)c1 ZINC000587617754 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccncc3)c2c1 ZINC000587617795 KJ Annotated Bother COc1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CC(=O)O)ccc1Cl ZINC000587617805 KJ Annotated Bother COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(Br)cc1 ZINC000587617848 KJ Annotated Bother COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587617967 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587617968 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587617969 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587617970 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)ccc3O)c(CC(=O)O)c2c1 ZINC000587618052 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCc3ccc(Cl)cc3)c2c1 ZINC000587618069 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(N3C(=O)CCC3=O)c2c1 ZINC000587618086 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cn3)c(OC(C)=O)c2c1 ZINC000587618108 KJ Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2O)cc1Cl ZINC000587618156 KJ Annotated Bother CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618186 KJ Annotated Bother COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(Cl)cc1 ZINC000587618199 KJ Annotated Bother CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cccc(Cl)c1 ZINC000587618346 KJ Annotated Bother COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618370 KJ Annotated Bother CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618442 KJ Annotated Bother COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618459 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3cc(Br)ccc3O)c2c1 ZINC000587618462 KJ Annotated Bother CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccccc1Cl ZINC000587618467 KJ Annotated Bother COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618470 KJ Annotated Bother CCOC(=O)[C@@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(C)C ZINC000587618472 KJ Annotated Reactive CCOC(=O)[C@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(C)C ZINC000587618473 KJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)nc3)c(CN3CCC(N)CC3)c2c1 ZINC000587618497 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)c2c1 ZINC000587618744 KJ Annotated Bother CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618774 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)CCl)c2c1 ZINC000587618794 KJ Annotated Reactive CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1 ZINC000587618808 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCc3ccccc3Cl)c2c1 ZINC000587618820 KJ Annotated Bother COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618821 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Br)ccc3O)c(CC(=O)O)c2c1 ZINC000587618834 KJ Annotated Bother CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1 ZINC000587618848 KJ Annotated Bother COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cccc(OC(F)F)c1 ZINC000587618999 KJ Annotated Bother CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587619003 KJ Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587619006 KJ Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587619012 KJ Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587619016 KJ Annotated Anodyne COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619140 KJ Annotated Bother CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619158 KJ Annotated Bother CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1cccc(F)c1 ZINC000587619217 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccnc3)c2c1 ZINC000587619228 KJ Annotated Bother CCOC(=O)c1c(-c2ccccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619241 KJ Annotated Bother COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587619298 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587619300 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587619302 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587619303 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)OCO4)c2c1 ZINC000587619468 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)NC(=O)CO4)c(C(=O)C(F)(F)F)c2c1 ZINC000587619475 KJ Annotated Bother COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619481 KJ Annotated Bother COC(=O)C(=O)c1c(-c2cccc(OC(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619491 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)OCCO4)c2c1 ZINC000587619492 KJ Annotated Bother CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)cn1 ZINC000587619497 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc4c(c3)OCO4)c2c1 ZINC000587619509 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3F)c(NC(=O)CCC(=O)O)c2c1 ZINC000587619520 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccncc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587619526 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c([C@@H](C)C(=O)O)c2c1 ZINC000587619536 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c([C@H](C)C(=O)O)c2c1 ZINC000587619537 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccco3)c2c1 ZINC000587619549 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(O)c3F)c2c1 ZINC000587619551 KJ Annotated Bother COc1cc2c(c(O)c1OC)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](c1ccc(O)cc1)O2 ZINC000587619555 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](c1ccc(O)cc1)O2 ZINC000587619556 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](c1ccc(O)cc1)O2 ZINC000587619557 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](c1ccc(O)cc1)O2 ZINC000587619559 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccccn3)c2c1 ZINC000587619623 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(C)c(Br)c3C)c2c1 ZINC000587619907 KJ Annotated Bother COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619911 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@](O)(c3ccccc3)C(F)(F)F)c2c1 ZINC000587619915 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@](O)(c3ccccc3)C(F)(F)F)c2c1 ZINC000587619916 KJ Annotated Bother CCn1ncc(C(=O)c2c(C(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C ZINC000587619971 KJ Annotated Bother COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619976 KJ Annotated Bother COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(OC(F)F)cc1 ZINC000587619987 KJ Annotated Bother CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)c(C)n1 ZINC000587619995 KJ Annotated Bother CCOc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CC(=O)O)cc1F ZINC000587620005 KJ Annotated Bother CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c(C)n1 ZINC000587620008 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)OCO4)c(C(=O)C(F)F)c2c1 ZINC000587620011 KJ Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CN(C)C)cc1F ZINC000587620022 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(Cl)c3)c(CC(=O)O)c2c1 ZINC000587620024 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(S(C)(=O)=O)c2c1 ZINC000587620026 KJ Annotated Bother CCn1ncc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)F)c1C ZINC000587620045 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)CBr)c2c1 ZINC000587620089 KJ Annotated Reactive CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587620108 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587620109 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587620110 KJ Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587620111 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620167 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(C3OCCO3)c2c1 ZINC000587620172 KJ Annotated Bother CCn1cc(C(=O)c2c(C(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c(C)n1 ZINC000587620230 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccco3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620239 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 ZINC000587620241 KJ Annotated Bother COC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1cc(F)c(F)cc1F ZINC000587620245 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(-c4ccc5c(c4)OCO5)no3)c2c1 ZINC000587620247 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCCCc3ccccc3)c2c1 ZINC000587620256 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3C(F)(F)F)c(S(C)(=O)=O)c2c1 ZINC000587620266 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(-n3ccnc3)c2c1 ZINC000587620273 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c([C@@H](C)C(=O)O)c2c1 ZINC000587620294 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c([C@H](C)C(=O)O)c2c1 ZINC000587620295 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(S(C)(=O)=O)c2c1 ZINC000587620307 KJ Annotated Bother CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)F)c(C)n1 ZINC000587620311 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587620343 KJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)c(O)c2c1 ZINC000587620349 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)c(C3OCCO3)c2c1 ZINC000587620352 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N[C@@H](C)c3ccccc3)c2c1 ZINC000587620454 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N[C@H](C)c3ccccc3)c2c1 ZINC000587620457 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNC(=O)OC(C)(C)C)c(-c3ccncc3)c2c1 ZINC000587620470 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H]3COCCN3C(=O)OC(C)(C)C)c2c1 ZINC000587620498 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H]3COCCN3C(=O)OC(C)(C)C)c2c1 ZINC000587620500 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(F)cc3F)c2c1 ZINC000587620637 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3F)c(OC(C)=O)c2c1 ZINC000587620653 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620666 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587620667 KJ Annotated Bother COC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccc(F)c(F)c1 ZINC000587620672 KJ Annotated Bother COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620681 KJ Annotated Bother CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620692 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(F)c3)c(CC(=O)O)c2c1 ZINC000587620702 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C(C)=O)c2c1 ZINC000587620778 KJ Annotated Bother CCOC(=O)c1c(-c2cccc(C#N)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620783 KJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC)c(OC)c3)c(CN(C)C)c2c1 ZINC000587620865 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(=NC(=O)c4ccc(F)cc4)s[nH]3)c2c1 ZINC000587620872 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000587620876 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000587620878 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-c3nccn3C)c2c1 ZINC000587620915 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(-n4cccn4)cc3)c(C#N)c2c1 ZINC000587620937 KJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccco3)c(C(=O)c3ccccn3)c2c1 ZINC000587620942 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C(=O)c3cccnc3)c2c1 ZINC000587620946 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cn(C)c4ccccc34)c(C#N)c2c1 ZINC000587620953 KJ Annotated Mild CCOC(=O)c1c(C)[nH]c(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)c1C ZINC000587620954 KJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(-c4ccccc4)no3)c2c1 ZINC000587620970 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C(=O)c3ccccn3)c2c1 ZINC000587620974 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3N)c(CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587620989 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NC3C4CC5CC(C4)CC3C5)c2c1 ZINC000587621004 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(-n3ccnc3)c2c1 ZINC000587621016 KJ Annotated Bother CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)OCc1ccccc1 ZINC000587621030 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N(C(=O)CC(C)=O)c3ccccc3C)c2c1 ZINC000587621032 KJ Annotated Bother O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621040 KJ Annotated Reactive CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621054 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2c1 ZINC000587621070 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3[nH]c(C)c(C(C)=O)c3C)c(C#N)c2c1 ZINC000587621073 KJ Annotated Mild CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccccc1[N+](=O)[O-] ZINC000587621076 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(N(C)C)cc3)c2c1 ZINC000587621092 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CI)c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587621097 KJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587621111 KJ Annotated Bother COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621113 KJ Annotated Bother COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621114 KJ Annotated Bother CCOC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C(=O)OCC ZINC000587621123 KJ Annotated Bother CCCCCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587621124 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccc(F)cc3)c(CCC=O)c2c1 ZINC000587621126 KJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C(=O)c3ccco3)c2c1 ZINC000587621133 KJ Annotated Bother CCOC(=O)c1c(C)[nH]c(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)OCC)c1C ZINC000587621162 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCC=O)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587621227 KJ Annotated Mild COc1ccc(-c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c([N+](=O)[O-])c1 ZINC000587621251 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NC3CCCCCC3)c2c1 ZINC000587621265 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)c2c1 ZINC000587621339 KJ Annotated Bother COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4c([N+](=O)[O-])cc(S(=O)(=O)Nc5ccccc5OC)cc34)c(=O)c2c1 ZINC000587621413 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CC(=O)OCCN3C(C)(C)CC(OC)CC3(C)C)c2c1 ZINC000587621440 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-n3cc([N+](=O)[O-])cn3)c2c1 ZINC000587621466 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(N)c3)c(-n3nc(C)cc3C)c2c1 ZINC000587621498 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(I)cc3)c(O)c2c1 ZINC000587621502 KJ Annotated Bother CC[C@H]1CCCCN1C(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621566 KJ Annotated Bother CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1 ZINC000587621567 KJ Annotated Bother CCOC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621569 KJ Annotated Mild CC[C@@H]1CCCCN1C(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621571 KJ Annotated Bother COC(=O)c1c(-c2cccc(I)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621610 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)[nH]c4ccccc4c3=O)c2c1 ZINC000587621683 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(Cn3cncn3)c2c1 ZINC000587621695 KJ Annotated Bother CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621741 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(NC(C)=O)c3)c(C(C)=O)c2c1 ZINC000587621757 KJ Annotated Bother CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621763 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(I)cc3)c(CC(=O)O)c2c1 ZINC000587621773 KJ Annotated Bother COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2c(c(Br)cc4n[nH]cc42)c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 ZINC000587622497 KJ Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2c(c(Br)cc4n[nH]cc42)c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1 ZINC000587622502 KJ Annotated Clean O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622796 KJ Annotated Reactive C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1O ZINC000587622799 KJ 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]c2c(c(Br)cc3n[nH]cc32)c1O ZINC000587622955 KJ Annotated Mild COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623149 KJ Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)C(C)(C)C1 ZINC000587623711 KJ Annotated Anodyne Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3c2c(Br)cc2n[nH]cc23)c2ccccc21 ZINC000587623750 KJ Annotated Anodyne COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624694 KJ Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000587626564 KJ Annotated Clean COC(=O)C(=NNc1ccc(OC)cc1)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)OC ZINC000587626732 KJ Annotated Mild CCCCCCc1[nH]c2c(C)cc(Cl)cc2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587626848 KJ Annotated Anodyne CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2c(C)cc(Cl)cc12 ZINC000587627073 KJ Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c13)c(=O)n2C ZINC000587627521 KJ Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc4c(c3)OCO4)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C(=O)OC ZINC000587628156 KJ Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587628575 KJ Annotated Anodyne COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629473 KJ Annotated Anodyne COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629507 KJ Annotated Anodyne CCCCCCc1[nH]c2ccc(F)c(Cl)c2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587630704 KJ Annotated Anodyne CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2cc(Cl)c(F)cc12 ZINC000587631179 KJ Annotated Anodyne C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cc(Cl)c(F)cc2c1O ZINC000587631400 KJ Annotated Anodyne C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2ccc(F)c(Cl)c2c1O ZINC000587631775 KJ Annotated Anodyne CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2ccc(F)c(Cl)c12 ZINC000587631785 KJ Annotated Anodyne CCCCCCc1[nH]c2cc(Cl)c(F)cc2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587631887 KJ Annotated Anodyne C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cccc(F)c34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587634667 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cccc(F)c34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587634672 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cccc(F)c34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587634675 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cccc(F)c34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587634677 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(F)ccc34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587635495 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(F)ccc34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587635497 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(F)ccc34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587635499 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(F)ccc34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587635501 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4c(C(=O)O)cccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587637470 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4c(C(=O)O)cccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587637474 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4c(C(=O)O)cccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587637476 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4c(C(=O)O)cccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587637478 KJ Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2c(C(=O)O)cccc12 ZINC000587637482 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3c(C(=O)O)cccc3c2O)O1 ZINC000587637618 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3c(C(=O)O)cccc3c2O)O1 ZINC000587637619 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3c(C(=O)O)cccc3c2O)O1 ZINC000587637621 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3c(C(=O)O)cccc3c2O)O1 ZINC000587637622 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3c(C(=O)O)cccc3c2O)O1 ZINC000587637624 KJ Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c(C(=O)O)cccc12 ZINC000587637938 KJ Annotated Mild O=C(O)c1cccc2c(C(O)(C(F)(F)F)C(F)(F)F)c(CC(O)(C(F)(F)F)C(F)(F)F)[nH]c12 ZINC000587638249 KJ Annotated Mild O=[N+]([O-])c1cccc2[nH]c(CC(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c12 ZINC000587645007 KJ Annotated Mild O=[N+]([O-])c1ccc2c(C(O)(C(F)(F)F)C(F)(F)F)c(CC(O)(C(F)(F)F)C(F)(F)F)[nH]c2c1 ZINC000587645229 KJ Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645762 KJ Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645937 KJ Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646272 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc([N+](=O)[O-])ccc3c2O)O1 ZINC000587646317 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc([N+](=O)[O-])ccc3c2O)O1 ZINC000587646318 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cc([N+](=O)[O-])ccc3c2O)O1 ZINC000587646319 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cc([N+](=O)[O-])ccc3c2O)O1 ZINC000587646320 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc([N+](=O)[O-])ccc3c2O)O1 ZINC000587646321 KJ Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646376 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3cccc([N+](=O)[O-])c3c2O)O1 ZINC000587646543 KJ Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cccc([N+](=O)[O-])c3c2O)O1 ZINC000587646544 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cccc([N+](=O)[O-])c3c2O)O1 ZINC000587646545 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cccc([N+](=O)[O-])c3c2O)O1 ZINC000587646546 KJ Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cccc([N+](=O)[O-])c3c2O)O1 ZINC000587646547 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cccc([N+](=O)[O-])c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587646921 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cccc([N+](=O)[O-])c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587646925 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cccc([N+](=O)[O-])c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587646927 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cccc([N+](=O)[O-])c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587646928 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cc([N+](=O)[O-])ccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587647489 KJ Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cc([N+](=O)[O-])ccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587647490 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cc([N+](=O)[O-])ccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587647491 KJ Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cc([N+](=O)[O-])ccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587647492 KJ Annotated Mild O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651047 KJ Annotated Anodyne O=C(c1ccc(COc2ccc(I)cc2)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651541 KJ Annotated Anodyne COc1cc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c3ccccc3n2)cc(OC)c1OC ZINC000587652389 KJ Annotated Anodyne O=C(COc1c(I)cc(Cl)c2cccnc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587652418 KJ Annotated Anodyne O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587652973 KJ Annotated Bother O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653001 KJ Annotated Bother O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653702 KJ Annotated Anodyne O=C(c1cc(Br)c(Br)[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653778 KJ Annotated Anodyne O=C(c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653901 KJ Annotated Bother O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654058 KJ Annotated Anodyne Cc1nn(C[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Br ZINC000587654344 KJ Annotated Anodyne Cc1nn(C[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Br ZINC000587654347 KJ Annotated Anodyne COc1ccc(Br)c(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1N ZINC000587654544 KJ Annotated Anodyne O=C(c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654616 KJ Annotated Anodyne COc1cc(-c2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)n2-c2ccccc2)cc(OC)c1OC ZINC000587654649 KJ Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)nnc2-c2cccnc2)cc1 ZINC000587654839 KJ Annotated Anodyne O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655214 KJ Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1cc(C(F)(F)F)nn1C ZINC000587655352 KJ Annotated Anodyne O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655357 KJ Annotated Anodyne O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655362 KJ Annotated Anodyne Cn1nc(C(F)(F)F)c(Br)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655424 KJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cn1 ZINC000587655505 KJ Annotated Anodyne O=C(C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655508 KJ Annotated Anodyne O=C(C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655509 KJ Annotated Anodyne Cn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)c1C(F)(F)F ZINC000587655520 KJ Annotated Anodyne O=C(c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656017 KJ Annotated Bother O=C(c1nnn(-c2ccc(F)cc2)c1-n1cccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656021 KJ Annotated Anodyne O=C(c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656181 KJ Annotated Bother O=C(c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656232 KJ Annotated Bother CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1cc(C(F)(F)F)n(C)n1 ZINC000587656327 KJ Annotated Anodyne O=C(c1ccc(Cn2cc(Br)cn2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656580 KJ Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cnc2s1 ZINC000587656618 KJ Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cnc2s1 ZINC000587656620 KJ Annotated Anodyne O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656642 KJ Annotated Bother O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656668 KJ Annotated Bother O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656761 KJ Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2)c(C)c1[N+](=O)[O-] ZINC000587657040 KJ Annotated Bother O=C(c1ccn(COc2ccc(Br)cc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657219 KJ Annotated Anodyne COc1cccc(Nc2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)s2)c1 ZINC000587657256 KJ Annotated Anodyne O=C(c1nnn(Cc2ccccc2)c1-c1cccnc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657404 KJ Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)c(C)c1[N+](=O)[O-] ZINC000587657443 KJ Annotated Bother Cc1nn(Cc2ccccc2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587657512 KJ Annotated Bother Cc1cc(-c2ccc(Cl)cc2)nc2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nn12 ZINC000587657535 KJ Annotated Anodyne O=C(c1cccc(Cn2cc(Br)cn2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657767 KJ Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1cc(C(F)(F)F)n(C)n1 ZINC000587657873 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)cc1 ZINC000587657918 KJ Annotated Anodyne O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658207 KJ Annotated Anodyne O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658214 KJ Annotated Anodyne O=C(c1ccccc1NS(=O)(=O)c1cccs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658219 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658235 KJ Annotated Anodyne O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658249 KJ Annotated Anodyne O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658410 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658434 KJ Annotated Bother O=C(C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658519 KJ Annotated Anodyne O=C(C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658520 KJ Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1cc(C(F)(F)F)nn1C ZINC000587658569 KJ Annotated Anodyne O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658654 KJ Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 ZINC000587658758 KJ Annotated Anodyne Cc1cc(-c2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2CC(C)C)nn1C ZINC000587658779 KJ Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2c1=O ZINC000587658819 KJ Annotated Anodyne CC(C)CCn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2c1=O ZINC000587658986 KJ Annotated Anodyne O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659007 KJ Annotated Anodyne Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(-n2nc3ccccc3n2)c1 ZINC000587659952 KJ Annotated Anodyne COc1cccc(Nc2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)s2)c1 ZINC000587660364 KJ Annotated Anodyne O=C(c1ccccc1NS(=O)(=O)c1cccs1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660366 KJ Annotated Anodyne O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660373 KJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000587660398 KJ Annotated Bother O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660413 KJ Annotated Bother O=C(c1nnn(Cc2ccccc2)c1-c1cccnc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660715 KJ Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1 ZINC000587660900 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(N)nc(-c4ccccn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660943 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnc(NN)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661088 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C(N)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661392 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(NN)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661454 KJ Annotated Anodyne O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661492 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587661688 KJ Annotated Bother Cc1cc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2CC(C)C)nn1C ZINC000587661720 KJ Annotated Anodyne O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662053 KJ Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662131 KJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 ZINC000587662171 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)cc1 ZINC000587662216 KJ Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1ccc(OC)cc1 ZINC000587662375 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNC(=O)c3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662463 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662505 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)NCc3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587662521 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)cc(C(=O)NN)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662631 KJ Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(OC)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662728 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(F)c(N4CCOCC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662767 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN3C(=O)NC(C)(C)C3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663346 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CS(=O)(=O)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663358 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663382 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCN3C(=O)C=CC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663386 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3ccccc3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663394 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663407 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCN3C(=O)CN(C)C3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663523 KJ Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4ccc(N(CCCC)CCCC)cc4O)c4ccccc4c3=O)NC2=N1 ZINC000587663524 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCc4nnc(C)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663535 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCc4nnc(C)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663536 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(NN)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663543 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(=O)c4c(ncn4CCOC)n(Cc4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663550 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(O)c4cnn(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663569 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN4CCC[C@H]4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663580 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN4CCC[C@@H]4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663581 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CN4CCC[C@@H]4CO3)c(=O)c3ccccc23)c(O)c1 ZINC000587663588 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)c(=O)c3ccccc23)c(O)c1 ZINC000587663589 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CN4CCC[C@H]4CO3)c(=O)c3ccccc23)c(O)c1 ZINC000587663590 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CN4CCC[C@H]4CO3)c(=O)c3ccccc23)c(O)c1 ZINC000587663591 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-n4cnnn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663592 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(N4CCOCC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663594 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(O)nc4ccccc4c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663597 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)c(C)c3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663599 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663602 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)CN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663751 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663752 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663774 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663782 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCc4nncn4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663804 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCc4nncn4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663805 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663820 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663933 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663935 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663936 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587663957 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663965 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(Cn4cccn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663974 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663986 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(N)cnn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664022 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(-n4cnnn4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664027 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnc(NC(=O)C(C)(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664153 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])c(C)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664178 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(C)(C)n3cncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664180 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNC(=O)c3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587664218 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664273 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587664478 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCOCC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664668 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)c(Cc4ccccc4)c(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664740 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664772 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664774 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Br)c(N)n4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664803 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C(=O)OC(C)(C)C)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664842 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3ncc(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664868 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)c(C(F)(F)F)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664889 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664909 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664919 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(Br)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664925 KJ Annotated Bother CCOC(=O)c1ccc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000587665064 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665073 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665079 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665130 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(S(N)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665131 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665132 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)cc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587665160 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(Br)c(C(F)(F)F)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665219 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665229 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665262 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3S(N)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587665280 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(c4ccc(Cl)nn4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665296 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665393 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(Br)nc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665442 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665448 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665460 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665493 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665494 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccccn4)nc4c3CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665495 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc([N+](=O)[O-])cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665679 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)c(Br)c4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665709 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3c(Br)ccc(OC)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587665732 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3cc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665733 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)c(C(F)(F)F)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665748 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665781 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-n4cncn4)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665797 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(S(N)(=O)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665800 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4cc(Br)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665815 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)CC)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665821 KJ Annotated Anodyne CCNc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587665905 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3csc(N)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666081 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCCN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666089 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCSSCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587666091 KJ Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666096 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Cl)cn4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666119 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cnn(C)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666152 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666230 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666239 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666241 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666249 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCCN(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666286 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666295 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666311 KJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(=O)(=O)CC)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666325 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(=O)(=O)CC)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666327 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666341 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666343 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666354 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666357 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]nc(Br)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666380 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCN(Cc4ccccc4Cl)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666405 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666432 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc(N)sc3-c3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666471 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cc(O)nc(S)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666474 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(CCN4CCN(C(=O)OC(C)(C)C)CC4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666524 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)c(S(C)(=O)=O)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666566 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666589 KJ Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1cc(Br)cn1 ZINC000587666648 KJ Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1cc(Br)cn1 ZINC000587666650 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCC[C@H](C(=O)NN)C4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666846 KJ Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(I)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666847 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCC[C@@H](C(=O)NN)C4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666854 KJ Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666910 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](C)C[C@H]4C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666911 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](C)C[C@@H]4C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666912 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](C)C[C@H]4C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666914 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(F)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666926 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3S(=O)(=O)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666974 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666975 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587667015 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667025 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667047 KJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667049 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667092 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667093 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587667145 KJ Annotated Anodyne CCCCNC(=O)c1cccc(OCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c1 ZINC000587667352 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nnn(-c4ccc(F)cc4)c3-n3cccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667379 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(F)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667380 KJ Annotated Anodyne CCCOC(=O)c1ccc(OCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587667417 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC(F)F)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667422 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4F)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667424 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4c3cnn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667441 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667451 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccccc3S(=O)(=O)NC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587667455 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccc4OC)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667472 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667497 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667498 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667504 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc([N+](=O)[O-])cc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667517 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Cn3c(=O)c4c(ncn4Cc4ccccc4)n(Cc4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667519 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667526 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3c(Cl)c(C(F)(F)F)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667556 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(I)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667567 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3I)c(=O)c3ccccc23)c(O)c1 ZINC000587667572 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587667600 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587667601 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587667602 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587667603 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667612 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)c(OC)c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667639 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(OC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667646 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667649 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667650 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(Cc4ccc(C)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667661 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CN4CCN5CCC[C@@H]5C4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667667 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CN4CCN5CCC[C@H]5C4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667668 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667682 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3nnc(C)n3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587667683 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667692 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667693 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667708 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667711 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C(C)C)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667714 KJ Annotated Anodyne CCCCn1nc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587667732 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(I)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667773 KJ Annotated Anodyne CCCCOc1ccc(C(=O)NCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587667794 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667804 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667824 KJ Annotated Anodyne CCOC(=O)c1ccc(OCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587667873 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667875 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cc(OC)ccc4OC)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667919 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccn(Cc4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667923 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)cc4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667937 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667963 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667990 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587668000 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668006 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668041 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)nc(C)c3I)c(=O)c3ccccc23)c(O)c1 ZINC000587668042 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N(CC)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587668060 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587668066 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587668067 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587668069 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668096 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668102 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668103 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668104 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668156 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3=C(C)N[C@H]4C=CC(Cl)=CN34)c(=O)c3ccccc23)cc1OCC ZINC000587668194 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3=C(C)N[C@@H]4C=CC(Cl)=CN34)c(=O)c3ccccc23)cc1OCC ZINC000587668195 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587668219 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(Br)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668221 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3[nH]nc(Br)c3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668222 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(C)c(C(F)(F)F)c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668283 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(Br)cn4ccnc34)c(=O)c3ccccc23)cc1OCC ZINC000587668306 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C(=O)OC(C)(C)C)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587668340 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668393 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)C3CCN(c4ccc(Cl)nn4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668443 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Nc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668450 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Nc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668457 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587668483 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4c(c3)NC3=CCCN3C4=O)c(=O)c3ccccc23)cc1OCC ZINC000587668492 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nncn4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668522 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4ccc([N+](=O)[O-])n4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668533 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3c(Cl)c(C(F)(F)F)nn3C)c(=O)c3ccccc23)cc1OCC ZINC000587668535 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](CC)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668542 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3nn(C(C)C)c(=O)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668549 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](CC)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668558 KJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=S)NCCCN(C)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668582 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668639 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668640 KJ Annotated Bother CCOC(=O)c1c(NC(=O)C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)sc(C)c1C ZINC000587668673 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668684 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4cc5c(cc4s3)OCCO5)c(=O)c3ccccc23)c(O)c1 ZINC000587668709 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668717 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668719 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668721 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668730 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587668733 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668753 KJ Annotated Anodyne CCOc1ccc(-c2nn([C@](C)(Cc3ccc(O)c(OC)c3)C(=O)O)c(=O)c3ccccc23)cc1OCC ZINC000587668842 KJ Annotated Anodyne CCOc1ccc(-c2nn([C@@](C)(Cc3ccc(O)c(OC)c3)C(=O)O)c(=O)c3ccccc23)cc1OCC ZINC000587668844 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)nn3CC)c(=O)c3ccccc23)cc1OCC ZINC000587668865 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSCC(=O)Nc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668935 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3c(=O)sc4cc(S(=O)(=O)N5CCCCC5)ccc43)c(=O)c3ccccc23)cc1OCC ZINC000587668976 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4cc([N+](=O)[O-])cn4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668986 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669002 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669004 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)c(Cl)c4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669013 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccn(Cc4ccccc4)c3=O)c(=O)c3ccccc23)cc1OCC ZINC000587669022 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(-n4cncn4)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669025 KJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)sc(C)c1C ZINC000587669088 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)c(OC)c4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587669181 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3nc4ccccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669213 KJ Annotated Anodyne CCCn1nc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587669230 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669254 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)/C=C3/NC(=O)c4c(sc(C)c4C)N3)c(=O)c3ccccc23)cc1OCC ZINC000587669266 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)/C=C3\NC(=O)c4c(sc(C)c4C)N3)c(=O)c3ccccc23)cc1OCC ZINC000587669270 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3c(=O)sc4cc(S(=O)(=O)N5CCCCC5)ccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587669385 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(NC(C)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587669398 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587669411 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669455 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669460 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)/C(=C/c3ccccc3[N+](=O)[O-])NC(C)=O)c(=O)c3ccccc23)cc1OCC ZINC000587669464 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)/C(=C\c3ccccc3[N+](=O)[O-])NC(C)=O)c(=O)c3ccccc23)cc1OCC ZINC000587669465 KJ Annotated Bother CCOC(=O)c1ccc(-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000587669502 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)Cn3c(=O)c4c(ncn4CC(C)C)n(Cc4ccccc4)c3=O)c(=O)c3ccccc23)cc1OCC ZINC000587669580 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(S(=O)(=O)NCc4ccccc4)ccc3O)c(=O)c3ccccc23)cc1OCC ZINC000587669593 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Br)c(N)n4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669595 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3cc(Br)c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669601 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669605 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Cn3cc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669607 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669630 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3S(=O)(=O)NC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587669665 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669674 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669675 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669690 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669691 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587669700 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587669701 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587669756 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587669809 KJ Annotated Anodyne CCNc1ccc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587669814 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587669872 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])nn3Cc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669908 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3nn(CC)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670057 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn4cc(Br)ccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587670067 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587670082 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3ncc(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670091 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc([N+](=O)[O-])cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670103 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n(CC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670109 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNC(=O)c3ccccc3C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587670112 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3ccc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670121 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3ccc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670122 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670125 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3nnc(C)n3)(C5)C4)c(=O)c3ccccc23)cc1OCC ZINC000587670137 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cn(CC)nc4C)on3)c(=O)c3ccccc23)cc1OCC ZINC000587670139 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4c3cnn4-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670140 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccccc4OC)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587670186 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(CCN4CCN(C(=O)OC(C)(C)C)CC4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670193 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670226 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cc(OC)ccc4OC)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587670249 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670261 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670263 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4[N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC ZINC000587670311 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587670330 KJ Annotated Bother CCOc1ccc(-c2nn(C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670354 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670374 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)Cn3c(=O)c4c(ncn4Cc4ccccc4)n(Cc4ccccc4)c3=O)c(=O)c3ccccc23)cc1OCC ZINC000587670404 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670427 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670471 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587670488 KJ Annotated Bother CCOc1ccc(-c2nn(-c3nc(C)nc(C)c3I)c(=O)c3ccccc23)cc1OCC ZINC000587670552 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c(=O)c3ccccc23)c(O)c1 ZINC000587670615 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3C[C@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587670745 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3C[C@@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587670747 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)/C=C3/NC(=O)c4c(sc(C)c4C)N3)c(=O)c3ccccc23)c(O)c1 ZINC000587670768 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)/C=C3\NC(=O)c4c(sc(C)c4C)N3)c(=O)c3ccccc23)c(O)c1 ZINC000587670771 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(OC)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670829 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4CC)c(=O)c3ccccc23)cc1OCC ZINC000587670833 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670836 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670839 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587670847 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670864 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)N(CC)CC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670908 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CN(C(=O)OCc4ccccc4)CCO3)c(=O)c3ccccc23)cc1OCC ZINC000587670953 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)c(=O)c3ccccc23)cc1OCC ZINC000587670958 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670977 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670990 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)C(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671114 KJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587671126 KJ Annotated Bother CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N(CC)CC)c(=O)c3ccccc23)cc1OCC ZINC000587671133 KJ Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671162 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671165 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671180 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671184 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)c(=O)c3ccccc23)cc1OCC ZINC000587671190 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587671205 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587671218 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnc(NC(=O)C(C)(C)C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671243 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn(CC)c4nc(C)ccc4c3=O)c(=O)c3ccccc23)cc1OCC ZINC000587671273 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCCCCCCC(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587671333 KJ Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)CSCC(=O)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671347 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCC(=O)O)cc2)([C@@H](C)Br)N1 ZINC000587671415 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCC(=O)O)cc2)([C@@H](C)Br)N1 ZINC000587671417 KJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671418 KJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671419 KJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(CSc4nncn4C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671445 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)c(Br)c4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671461 KJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587671501 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3C[C@H]3CCCO3)c(=O)c3ccccc23)cc1OCC ZINC000587671575 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3C[C@@H]3CCCO3)c(=O)c3ccccc23)cc1OCC ZINC000587671576 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(F)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671652 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(OC)c(OC)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587671697 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(I)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671835 KJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c(=O)c3ccccc23)cc1OCC ZINC000587671881 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCC(=O)O)cc2)([C@@H](C)Br)N1 ZINC000587672321 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCC(=O)O)cc2)([C@@H](C)Br)N1 ZINC000587672322 KJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672324 KJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672325 KJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3ccc(F)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587672516 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587672590 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587672591 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587672592 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587672593 KJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587672753 KJ Annotated Anodyne COc1cccc2cc([C@@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc12 ZINC000587672765 KJ Annotated Reactive COc1cccc2cc([C@@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc12 ZINC000587672766 KJ Annotated Reactive COc1cccc2cc([C@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc12 ZINC000587672767 KJ Annotated Reactive COc1cccc2cc([C@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc12 ZINC000587672768 KJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587673249 KJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587673250 KJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587673251 KJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587673252 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587673413 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587673417 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587673419 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587673422 KJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587674083 KJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587674084 KJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587674085 KJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587674086 KJ Annotated Reactive COc1cccc2cc([C@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc12 ZINC000587674657 KJ Annotated Reactive COc1cccc2cc([C@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc12 ZINC000587674658 KJ Annotated Reactive COc1cccc2cc([C@@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc12 ZINC000587674659 KJ Annotated Reactive COc1cccc2cc([C@@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc12 ZINC000587674660 KJ Annotated Reactive CCOC(=O)[C@@]1(CC(=O)c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675263 KJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675264 KJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675265 KJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675266 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675667 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675668 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675669 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675670 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676334 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676335 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676336 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676337 KJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC(=O)N(C)C ZINC000587676350 KJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC(=O)N(C)C ZINC000587676351 KJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC(=O)N(C)C ZINC000587676352 KJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC(=O)N(C)C ZINC000587676353 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587676616 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587676618 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587676620 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587676622 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587676734 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587676735 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587676736 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587676737 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587677090 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587677091 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587677092 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587677093 KJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC(=O)N(C)C ZINC000587677184 KJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC(=O)N(C)C ZINC000587677186 KJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC(=O)N(C)C ZINC000587677188 KJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC(=O)N(C)C ZINC000587677190 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677322 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677324 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677327 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677329 KJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677373 KJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677374 KJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677375 KJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677376 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3nn(C)cc3Br)cc2)N1 ZINC000587677510 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3nn(C)cc3Br)cc2)N1 ZINC000587677514 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3nn(C)cc3Br)cc2)N1 ZINC000587677515 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3nn(C)cc3Br)cc2)N1 ZINC000587677516 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677678 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677680 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677682 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677685 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677823 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677825 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677828 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677830 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C[C@@H]1[C@H]2[C@H]2C=C[C@@]1(Br)C2=O ZINC000587678452 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C[C@H]1[C@H]2[C@H]2C=C[C@@]1(Br)C2=O ZINC000587678453 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C[C@@H]1[C@@H]2[C@H]2C=C[C@@]1(Br)C2=O ZINC000587678454 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C[C@H]1[C@@H]2[C@H]2C=C[C@@]1(Br)C2=O ZINC000587678455 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587678513 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587678515 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587678517 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587678520 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678576 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678577 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678578 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678579 KJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678604 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678605 KJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678606 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678607 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 ZINC000587679150 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587679152 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587679153 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587679156 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587679158 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 ZINC000587679184 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 ZINC000587679188 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 ZINC000587679192 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN3CCOCC3)c(Br)c2)N1 ZINC000587679454 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN3CCOCC3)c(Br)c2)N1 ZINC000587679458 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN3CCOCC3)c(Br)c2)N1 ZINC000587679461 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN3CCOCC3)c(Br)c2)N1 ZINC000587679465 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679664 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679666 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679668 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679670 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCC2OCCO2)N1 ZINC000587680339 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCC2OCCO2)N1 ZINC000587680340 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCC2OCCO2)N1 ZINC000587680341 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCC2OCCO2)N1 ZINC000587680342 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587680412 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587680413 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587680414 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587680415 KJ Annotated Mild CCOC(=O)[C@]1(c2ccc(OC)cc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680690 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680691 KJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680692 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680693 KJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680771 KJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680783 KJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680786 KJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680788 KJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681104 KJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681107 KJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681110 KJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681114 KJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681182 KJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681184 KJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681185 KJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681186 KJ Annotated Anodyne COCCCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587681200 KJ Annotated Anodyne COCCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587681201 KJ Annotated Anodyne COCCCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587681202 KJ Annotated Anodyne COCCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587681203 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681304 KJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681308 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681311 KJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681315 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C[C@H]1[C@@H]2[C@H]2C=C[C@@]1(Br)C21OCCO1 ZINC000587681454 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C[C@@H]1[C@@H]2[C@H]2C=C[C@@]1(Br)C21OCCO1 ZINC000587681473 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C[C@H]1[C@H]2[C@H]2C=C[C@@]1(Br)C21OCCO1 ZINC000587681475 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C[C@@H]1[C@H]2[C@H]2C=C[C@@]1(Br)C21OCCO1 ZINC000587681481 KJ Annotated Anodyne CCN1N=C(Br)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587681828 KJ Annotated Anodyne CCN1N=C(Br)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587681832 KJ Annotated Anodyne CCN1N=C(Br)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587681835 KJ Annotated Anodyne CCN1N=C(Br)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587681837 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681861 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681862 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681863 KJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681864 KJ Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682247 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682252 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682254 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682256 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN3CCOCC3)c(Br)c2)N1 ZINC000587682498 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN3CCOCC3)c(Br)c2)N1 ZINC000587682500 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN3CCOCC3)c(Br)c2)N1 ZINC000587682501 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN3CCOCC3)c(Br)c2)N1 ZINC000587682502 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCC2OCCO2)N1 ZINC000587682685 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCC2OCCO2)N1 ZINC000587682686 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCC2OCCO2)N1 ZINC000587682688 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCC2OCCO2)N1 ZINC000587682690 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(CNC(=O)CCl)c2)N1 ZINC000587682877 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587682881 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587682882 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587682883 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(CNC(=O)CCl)c2)N1 ZINC000587682884 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587682886 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(CNC(=O)CCl)c2)N1 ZINC000587682887 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(CNC(=O)CCl)c2)N1 ZINC000587682889 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](C)N2C(=O)CCC2=O)N1 ZINC000587683078 KJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683079 KJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683080 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](C)N2C(=O)CCC2=O)N1 ZINC000587683081 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C[C@@H]1[C@H]2[C@H]2C=C[C@@]1(Br)C21OCCO1 ZINC000587683186 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C[C@H]1[C@H]2[C@H]2C=C[C@@]1(Br)C21OCCO1 ZINC000587683191 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C[C@H]1[C@@H]2[C@H]2C=C[C@@]1(Br)C21OCCO1 ZINC000587683196 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C[C@@H]1[C@@H]2[C@H]2C=C[C@@]1(Br)C21OCCO1 ZINC000587683199 KJ Annotated Anodyne CCN1N=C(Br)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587683242 KJ Annotated Anodyne CCN1N=C(Br)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587683246 KJ Annotated Anodyne CCN1N=C(Br)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587683251 KJ Annotated Anodyne CCN1N=C(Br)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587683256 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587683286 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587683292 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587683297 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br ZINC000587683303 KJ Annotated Reactive COCCCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587684836 KJ Annotated Anodyne COCCCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587684837 KJ Annotated Anodyne COCCCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587684838 KJ Annotated Anodyne COCCCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587684839 KJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685052 KJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685055 KJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685057 KJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685059 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C=C[C@@]2(Br)[C@@H]2C=C(Br)C(=O)[C@H]21 ZINC000587685393 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C=C[C@@]2(Br)[C@@H]2C=C(Br)C(=O)[C@@H]21 ZINC000587685395 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C=C[C@@]2(Br)[C@H]2C=C(Br)C(=O)[C@@H]12 ZINC000587685400 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C=C[C@@]2(Br)[C@H]2C=C(Br)C(=O)[C@H]12 ZINC000587685405 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(CNC(=O)CCl)c2)N1 ZINC000587685500 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(CNC(=O)CCl)c2)N1 ZINC000587685503 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(CNC(=O)CCl)c2)N1 ZINC000587685506 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(CNC(=O)CCl)c2)N1 ZINC000587685509 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](C)N2C(=O)CCC2=O)N1 ZINC000587685691 KJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685695 KJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685698 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](C)N2C(=O)CCC2=O)N1 ZINC000587685701 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685713 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685716 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685718 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685720 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587685984 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587685987 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587685989 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587685992 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)/C(=C\Cl)N2 ZINC000587686182 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)/C(=C/Cl)N2 ZINC000587686189 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)/C(=C/Cl)N2 ZINC000587686198 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)/C(=C\Cl)N2 ZINC000587686201 KJ Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587686229 KJ Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587686237 KJ Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587686241 KJ Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587686246 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587686272 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587686273 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587686274 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587686276 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587686903 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587686906 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587686908 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587686911 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c1ccccc12 ZINC000587687067 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c1ccccc12 ZINC000587687075 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c1ccccc12 ZINC000587687078 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c1ccccc12 ZINC000587687080 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687087 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687089 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687093 KJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687095 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C[C@H]1[C@@H]2[C@H]2C=C[C@@]1(Br)C2=O ZINC000587687158 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C[C@H]1[C@H]2[C@H]2C=C[C@@]1(Br)C2=O ZINC000587687159 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C[C@@H]1[C@H]2[C@H]2C=C[C@@]1(Br)C2=O ZINC000587687160 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C[C@@H]1[C@@H]2[C@H]2C=C[C@@]1(Br)C2=O ZINC000587687161 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 ZINC000587687561 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 ZINC000587687562 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 ZINC000587687565 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 ZINC000587687566 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C=C[C@@]2(Br)[C@@H]2C=C(Br)C(=O)[C@@H]21 ZINC000587687648 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C=C[C@@]2(Br)[C@@H]2C=C(Br)C(=O)[C@H]21 ZINC000587687653 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C=C[C@@]2(Br)[C@H]2C=C(Br)C(=O)[C@H]12 ZINC000587687655 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C=C[C@@]2(Br)[C@H]2C=C(Br)C(=O)[C@@H]12 ZINC000587687656 KJ Annotated Mild Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587687674 KJ Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587687676 KJ Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587687677 KJ Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587687679 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587688118 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587688119 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587688120 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587688123 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587688183 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587688191 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587688195 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587688198 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c1ccccc12 ZINC000587688261 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c1ccccc12 ZINC000587688262 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c1ccccc12 ZINC000587688263 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c1ccccc12 ZINC000587688264 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3nn(C)cc3Br)cc2)N1 ZINC000587688494 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3nn(C)cc3Br)cc2)N1 ZINC000587688495 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3nn(C)cc3Br)cc2)N1 ZINC000587688496 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3nn(C)cc3Br)cc2)N1 ZINC000587688497 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587688847 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587688850 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587688853 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587688857 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587688946 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587688948 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587688949 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587688951 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587689323 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587689324 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587689325 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(NC(=O)C(Cl)Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587689326 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)N1 ZINC000587691438 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)N1 ZINC000587691445 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)N1 ZINC000587691448 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)N1 ZINC000587691450 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)N1 ZINC000587691482 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)N1 ZINC000587691483 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)N1 ZINC000587691486 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)N1 ZINC000587691488 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)N1 ZINC000587692531 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)N1 ZINC000587692534 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)N1 ZINC000587692536 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)N1 ZINC000587692538 KJ Annotated Mild CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694077 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694081 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694083 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694087 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccc(Cl)cc2)N1 ZINC000587695917 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccc(Cl)cc2)N1 ZINC000587695920 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccc(Cl)cc2)N1 ZINC000587695922 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccc(Cl)cc2)N1 ZINC000587695925 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2Cl)N1 ZINC000587696123 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2Cl)N1 ZINC000587696124 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2Cl)N1 ZINC000587696125 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2Cl)N1 ZINC000587696126 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccc(Cl)cc2)N1 ZINC000587696465 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccc(Cl)cc2)N1 ZINC000587696467 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccc(Cl)cc2)N1 ZINC000587696469 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccc(Cl)cc2)N1 ZINC000587696472 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)/C(=C\Cl)N2 ZINC000587697037 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)/C(=C/Cl)N2 ZINC000587697038 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)/C(=C/Cl)N2 ZINC000587697039 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)/C(=C\Cl)N2 ZINC000587697040 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587697700 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587697716 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587697719 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587697723 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)N1 ZINC000587698504 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)N1 ZINC000587698508 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)N1 ZINC000587698512 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)N1 ZINC000587698515 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2Cl)N1 ZINC000587700010 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2Cl)N1 ZINC000587700012 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2Cl)N1 ZINC000587700015 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2ccccc2Cl)N1 ZINC000587700017 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2cccc(Cl)c2)N1 ZINC000587700852 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2cccc(Cl)c2)N1 ZINC000587700854 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2cccc(Cl)c2)N1 ZINC000587700856 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2cccc(Cl)c2)N1 ZINC000587700859 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2cccc(Cl)c2)N1 ZINC000587700893 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2cccc(Cl)c2)N1 ZINC000587700895 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)C=C2OCc2cccc(Cl)c2)N1 ZINC000587700897 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)C=C2OCc2cccc(Cl)c2)N1 ZINC000587700899 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587701362 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587701365 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587701369 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587701371 KJ Annotated Anodyne CCOC(=O)C(Br)(Br)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701678 KJ Annotated Anodyne CCOC(=O)C(Br)(Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701690 KJ Annotated Anodyne CCOC(=O)C(Br)(Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701693 KJ Annotated Anodyne CCOC(=O)C(Br)(Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701695 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703289 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703291 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703296 KJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703301 KJ Annotated Anodyne CCOC(=O)C(Br)(Br)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703882 KJ Annotated Anodyne CCOC(=O)C(Br)(Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703884 KJ Annotated Anodyne CCOC(=O)C(Br)(Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703885 KJ Annotated Anodyne CCOC(=O)C(Br)(Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703887 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N[C@H](Cc2ccccc2)C(=O)O)(C(F)(F)F)N1 ZINC000587704292 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N[C@H](Cc2ccccc2)C(=O)O)(C(F)(F)F)N1 ZINC000587704295 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N[C@@H](Cc2ccccc2)C(=O)O)(C(F)(F)F)N1 ZINC000587704297 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N[C@@H](Cc2ccccc2)C(=O)O)(C(F)(F)F)N1 ZINC000587704299 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N[C@H](Cc2ccccc2)C(=O)O)(C(F)(F)F)N1 ZINC000587707524 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N[C@@H](Cc2ccccc2)C(=O)O)(C(F)(F)F)N1 ZINC000587707525 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N[C@H](Cc2ccccc2)C(=O)O)(C(F)(F)F)N1 ZINC000587707526 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N[C@@H](Cc2ccccc2)C(=O)O)(C(F)(F)F)N1 ZINC000587707527 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)(C(F)(F)F)N1 ZINC000587708339 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)(C(F)(F)F)N1 ZINC000587708340 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)(C(F)(F)F)N1 ZINC000587708341 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)(C(F)(F)F)N1 ZINC000587708343 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)C(F)(F)F)N1 ZINC000587708810 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)C(F)(F)F)N1 ZINC000587708811 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)C(F)(F)F)N1 ZINC000587708812 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)C(F)(F)F)N1 ZINC000587708813 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)C(F)(F)F)N1 ZINC000587709070 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)C(F)(F)F)N1 ZINC000587709071 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)C(F)(F)F)N1 ZINC000587709072 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)C(F)(F)F)N1 ZINC000587709073 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587709218 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587709219 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587709220 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587709221 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)(C(F)(F)F)N1 ZINC000587709256 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)(C(F)(F)F)N1 ZINC000587709257 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)(C(F)(F)F)N1 ZINC000587709258 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)(C(F)(F)F)N1 ZINC000587709259 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587709292 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587709293 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587709294 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587709295 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)C(F)(F)F)N1 ZINC000587709312 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)C(F)(F)F)N1 ZINC000587709313 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)C(F)(F)F)N1 ZINC000587709314 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)C(F)(F)F)N1 ZINC000587709315 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)(C(F)(F)F)N1 ZINC000587709442 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)(C(F)(F)F)N1 ZINC000587709443 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)(C(F)(F)F)N1 ZINC000587709444 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)(C(F)(F)F)N1 ZINC000587709445 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709451 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709452 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709453 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709454 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710188 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710189 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710190 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710191 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710698 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710699 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710700 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710701 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)C(F)(F)F)N1 ZINC000587710908 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)C(F)(F)F)N1 ZINC000587710909 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)C(F)(F)F)N1 ZINC000587710910 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)C(F)(F)F)N1 ZINC000587710911 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711591 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711592 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711595 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711597 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)(C(F)(F)F)N1 ZINC000587711948 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)(C(F)(F)F)N1 ZINC000587711949 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)(C(F)(F)F)N1 ZINC000587711950 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)(C(F)(F)F)N1 ZINC000587711951 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713867 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713868 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713871 KJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713874 KJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2F)no1 ZINC000587713971 KJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2F)no1 ZINC000587713972 KJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2F)no1 ZINC000587713973 KJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2F)no1 ZINC000587713974 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715237 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715238 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715239 KJ Annotated Anodyne Cc1nn(C)c(O)c1[C@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715240 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCC(C(F)(F)F)CC2)(c2c[nH]c(C=O)c2)N1 ZINC000587715538 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCC(C(F)(F)F)CC2)(c2c[nH]c(C=O)c2)N1 ZINC000587715565 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCC(C(F)(F)F)CC2)(c2c[nH]c(C=O)c2)N1 ZINC000587715568 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCC(C(F)(F)F)CC2)(c2c[nH]c(C=O)c2)N1 ZINC000587715571 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)([C@@H](C)n2cc(C(F)(F)F)ccc2=O)N1 ZINC000587716528 KJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716531 KJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716534 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)([C@@H](C)n2cc(C(F)(F)F)ccc2=O)N1 ZINC000587716537 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]2)N1 ZINC000587716590 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]2)N1 ZINC000587716593 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]2)N1 ZINC000587716596 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]2)N1 ZINC000587716599 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716821 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716832 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716838 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716844 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCC(C(F)(F)F)CC2)(c2c[nH]c(C=O)c2)N1 ZINC000587717419 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCC(C(F)(F)F)CC2)(c2c[nH]c(C=O)c2)N1 ZINC000587717424 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCC(C(F)(F)F)CC2)(c2c[nH]c(C=O)c2)N1 ZINC000587717430 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCC(C(F)(F)F)CC2)(c2c[nH]c(C=O)c2)N1 ZINC000587717440 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717532 KJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717534 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717538 KJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717542 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587718761 KJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587718765 KJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587718768 KJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587718772 KJ Annotated Unstable C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719021 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)([C@@H](C)n2cc(C(F)(F)F)ccc2=O)N1 ZINC000587719022 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)([C@@H](C)n2cc(C(F)(F)F)ccc2=O)N1 ZINC000587719023 KJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719024 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587720641 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587720643 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587720646 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587720649 KJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2F)no1 ZINC000587721938 KJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2F)no1 ZINC000587721939 KJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2F)no1 ZINC000587721940 KJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2F)no1 ZINC000587721941 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587722592 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587722593 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587722594 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587722595 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587723799 KJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587723801 KJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587723803 KJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587723805 KJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]2)N1 ZINC000587723860 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]2)N1 ZINC000587723863 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]2)N1 ZINC000587723866 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]2)N1 ZINC000587723869 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)N1 ZINC000587724932 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)N1 ZINC000587724936 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)N1 ZINC000587724938 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)N1 ZINC000587724940 KJ Annotated Anodyne C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c2N1C=C(C(=O)O)[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725228 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(N2CCC(O)CC2)c3CC[C@H]1C ZINC000587725229 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(N2CCC(O)CC2)c3CC[C@H]1C ZINC000587725230 KJ Annotated Clean C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c2N1C=C(C(=O)O)[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725231 KJ Annotated Clean COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725418 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725419 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725420 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725421 KJ Annotated Reactive Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587725446 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587725447 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587725448 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587725449 KJ Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2nc(Cl)c(F)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587725848 KJ Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2nc(Cl)c(F)cc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587725849 KJ Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2nc(Cl)c(F)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587725950 KJ Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2nc(Cl)c(F)cc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587725951 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587725964 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587725965 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587725966 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587725967 KJ Annotated Anodyne COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725984 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725985 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725986 KJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725987 KJ Annotated Reactive COC(=O)C1=CN2c3c(cc(F)c(N4CCC(O)CC4)c3CC[C@@H]2C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587726348 KJ Annotated Clean COC(=O)C1=CN2c3c(cc(F)c(N4CCC(O)CC4)c3CC[C@@H]2C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587726349 KJ Annotated Clean COC(=O)C1=CN2c3c(cc(F)c(N4CCC(O)CC4)c3CC[C@@H]2C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587726450 KJ Annotated Clean COC(=O)C1=CN2c3c(cc(F)c(N4CCC(O)CC4)c3CC[C@@H]2C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587726451 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)N1 ZINC000587726502 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)N1 ZINC000587726503 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)N1 ZINC000587726504 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)N1 ZINC000587726505 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587726892 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587726894 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587726896 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587726898 KJ Annotated Anodyne Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)[C@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=C2S[C@H](C)N23)CC1 ZINC000587726940 KJ Annotated Clean Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)[C@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=C2S[C@@H](C)N23)CC1 ZINC000587726946 KJ Annotated Clean Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)[C@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=C2S[C@@H](C)N23)CC1 ZINC000587726949 KJ Annotated Clean Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)[C@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=C2S[C@H](C)N23)CC1 ZINC000587726952 KJ Annotated Clean CCN1CCN(c2cc3c(cc2F)[C@@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=CN3C2CC2)CC1 ZINC000587726994 KJ Annotated Clean CCN1CCN(c2cc3c(cc2F)[C@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=CN3C2CC2)CC1 ZINC000587726995 KJ Annotated Clean CCN1CCN(c2cc3c(cc2F)[C@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=CN3C2CC2)CC1 ZINC000587726996 KJ Annotated Clean CCN1CCN(c2cc3c(cc2F)[C@@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=CN3C2CC2)CC1 ZINC000587726997 KJ Annotated Clean C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c2N1C=C(C(=O)O)[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727298 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(N2CCC(O)CC2)c3CC[C@H]1C ZINC000587727299 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(N2CCC(O)CC2)c3CC[C@H]1C ZINC000587727300 KJ Annotated Clean C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c2N1C=C(C(=O)O)[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727301 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587727398 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)O)[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587727399 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587727400 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)O)[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587727401 KJ Annotated Clean COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587727490 KJ Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587727496 KJ Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587727497 KJ Annotated Anodyne COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587727499 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727671 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727674 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727677 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727679 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2CC[C@H](N)C2)c1Cl ZINC000587727758 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2CC[C@@H](N)C2)c1Cl ZINC000587727759 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2CC[C@@H](N)C2)c1Cl ZINC000587727760 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2CC[C@H](N)C2)c1Cl ZINC000587727761 KJ Annotated Clean COc1c(F)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727848 KJ Annotated Anodyne COc1c(F)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727849 KJ Annotated Anodyne COc1c(F)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727851 KJ Annotated Anodyne COc1c(F)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727854 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc12 ZINC000587728005 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc12 ZINC000587728047 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc12 ZINC000587728054 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc12 ZINC000587728061 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2CC[C@H](N)C2)c1Cl ZINC000587728288 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2CC[C@@H](N)C2)c1Cl ZINC000587728294 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2CC[C@@H](N)C2)c1Cl ZINC000587728299 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2CC[C@H](N)C2)c1Cl ZINC000587728309 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587728448 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)O)[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587728475 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587728480 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)O)[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587728486 KJ Annotated Clean CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728585 KJ Annotated Clean CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728590 KJ Annotated Clean CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728595 KJ Annotated Clean CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728600 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)nc3c2OCCC3)N1 ZINC000587728923 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)nc3c2OCCC3)N1 ZINC000587728953 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)nc3c2OCCC3)N1 ZINC000587728959 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)nc3c2OCCC3)N1 ZINC000587728965 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729366 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729367 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729368 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729369 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)C(C(C)(C)NC(=O)OCc1ccccc1)=N[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000587729813 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)C(C(C)(C)NC(=O)OCc1ccccc1)=N[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000587729824 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)C(C(C)(C)NC(=O)OCc1ccccc1)=N[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000587729826 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)C(C(C)(C)NC(=O)OCc1ccccc1)=N[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000587729833 KJ Annotated Anodyne COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729849 KJ Annotated Clean COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729861 KJ Annotated Clean COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729864 KJ Annotated Clean COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729867 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587729992 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587729993 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587729994 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587729995 KJ Annotated Anodyne COc1c(F)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730212 KJ Annotated Anodyne COc1c(F)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730214 KJ Annotated Anodyne COc1c(F)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730218 KJ Annotated Anodyne COc1c(F)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730221 KJ Annotated Anodyne CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)OC)[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587730488 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)OC)[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587730489 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)OC)[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587730490 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)OC)[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587730491 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccnc-3[nH]c(I)c2F)N1 ZINC000587730643 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccnc-3[nH]c(I)c2F)N1 ZINC000587730645 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587730659 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587730662 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587730665 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587730667 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccnc-3[nH]c(I)c2F)N1 ZINC000587731005 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccnc-3[nH]c(I)c2F)N1 ZINC000587731008 KJ Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731147 KJ Annotated Anodyne COc1ccc(I)c2c1[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731148 KJ Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731149 KJ Annotated Anodyne COc1ccc(I)c2c1[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731150 KJ Annotated Anodyne CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)OC)[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587731167 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)OC)[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587731169 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)OC)[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587731172 KJ Annotated Clean CN[C@@H]1CCCN(c2c(F)cc3c(c2OC)N(C2CC2)C=C(C(=O)OC)[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587731175 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2nc(Cl)c(F)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587731390 KJ Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2nc(Cl)c(F)cc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587731392 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(I)=CN(CC(=O)OCCCl)C=C2I ZINC000587731494 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(I)=CN(CC(=O)OCCCl)C=C2I ZINC000587731497 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccnc-3[nH]c(I)c2F)N1 ZINC000587731648 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccnc-3[nH]c(I)c2F)N1 ZINC000587731651 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccnc-3[nH]c(I)c2F)N1 ZINC000587731653 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccnc-3[nH]c(I)c2F)N1 ZINC000587731654 KJ Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731662 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)N1 ZINC000587731663 KJ Annotated Reactive COc1ccc(I)c2c1[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731664 KJ Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731665 KJ Annotated Anodyne COc1ccc(I)c2c1[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731666 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)N1 ZINC000587731677 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)N1 ZINC000587731679 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)N1 ZINC000587731682 KJ Annotated Reactive CCOC(=O)C1=CN(C2CC2)c2nc(Cl)c(F)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587731742 KJ Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2nc(Cl)c(F)cc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587731743 KJ Annotated Anodyne COC(=O)C1=CN2c3c(cc(F)c(N4CCC(O)CC4)c3CC[C@@H]2C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731772 KJ Annotated Clean COC(=O)C1=CN2c3c(cc(F)c(N4CCC(O)CC4)c3CC[C@@H]2C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731773 KJ Annotated Clean COC(=O)C1=CN2c3c(cc(F)c(N4CCC(O)CC4)c3CC[C@@H]2C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731774 KJ Annotated Clean COC(=O)C1=CN2c3c(cc(F)c(N4CCC(O)CC4)c3CC[C@@H]2C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731775 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCCC[C@H](N)C3)c(F)cc12 ZINC000587731876 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCCC[C@@H](N)C3)c(F)cc12 ZINC000587731877 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCCC[C@@H](N)C3)c(F)cc12 ZINC000587731878 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCCC[C@H](N)C3)c(F)cc12 ZINC000587731879 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)nc3c2OCCC3)N1 ZINC000587732109 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)nc3c2OCCC3)N1 ZINC000587732111 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)nc3c2OCCC3)N1 ZINC000587732112 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)nc3c2OCCC3)N1 ZINC000587732113 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3[nH]cc(I)c3c2)N1 ZINC000587732326 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3[nH]cc(I)c3c2)N1 ZINC000587732327 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3[nH]cc(I)c3c2)N1 ZINC000587732328 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3[nH]cc(I)c3c2)N1 ZINC000587732329 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3nn(C)cc3I)cc2)N1 ZINC000587732445 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCCC3)c(F)cc12 ZINC000587732451 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3nn(C)cc3I)cc2)N1 ZINC000587732453 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3nn(C)cc3I)cc2)N1 ZINC000587732455 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3nn(C)cc3I)cc2)N1 ZINC000587732457 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCCC3)c(F)cc12 ZINC000587732459 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCCC3)c(F)cc12 ZINC000587732463 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCCC3)c(F)cc12 ZINC000587732467 KJ Annotated Clean Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)[C@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=C2S[C@@H](C)N23)CC1 ZINC000587732494 KJ Annotated Clean Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)[C@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=C2S[C@H](C)N23)CC1 ZINC000587732500 KJ Annotated Clean Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)[C@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=C2S[C@@H](C)N23)CC1 ZINC000587732504 KJ Annotated Clean Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)[C@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=C2S[C@H](C)N23)CC1 ZINC000587732508 KJ Annotated Clean COc1cc2c(cc1I)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732652 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732653 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732654 KJ Annotated Anodyne COc1cc2c(cc1I)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732655 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)N1 ZINC000587732900 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)N1 ZINC000587732901 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)N1 ZINC000587732902 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)N1 ZINC000587732903 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2cc(F)ccc2O)N1 ZINC000587732922 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2cc(F)ccc2O)N1 ZINC000587732923 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2cc(F)ccc2O)N1 ZINC000587732924 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2cc(F)ccc2O)N1 ZINC000587732925 KJ Annotated Mild COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587733273 KJ Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587733277 KJ Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587733279 KJ Annotated Anodyne COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587733283 KJ Annotated Anodyne COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733334 KJ Annotated Clean COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733337 KJ Annotated Clean COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733343 KJ Annotated Clean COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733349 KJ Annotated Clean COC1=C(Br)N(C)C=C(I)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733520 KJ Annotated Anodyne COC1=C(Br)N(C)C=C(I)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733521 KJ Annotated Anodyne COC1=C(Br)N(C)C=C(I)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733522 KJ Annotated Anodyne COC1=C(Br)N(C)C=C(I)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733523 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2cc(F)ccc2O)N1 ZINC000587733612 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2cc(F)ccc2O)N1 ZINC000587733613 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2cc(F)ccc2O)N1 ZINC000587733615 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2cc(F)ccc2O)N1 ZINC000587733617 KJ Annotated Mild COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733713 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733715 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733717 KJ Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733718 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)C(C(C)(C)NC(=O)OCc1ccccc1)=N[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000587733798 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)C(C(C)(C)NC(=O)OCc1ccccc1)=N[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000587733805 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)C(C(C)(C)NC(=O)OCc1ccccc1)=N[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000587733811 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)C(C(C)(C)NC(=O)OCc1ccccc1)=N[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000587733816 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCCC[C@H](N)C3)c(F)cc12 ZINC000587733904 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCCC[C@@H](N)C3)c(F)cc12 ZINC000587733905 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCCC[C@@H](N)C3)c(F)cc12 ZINC000587733906 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCCC[C@H](N)C3)c(F)cc12 ZINC000587733907 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2cc(F)ccc2O)N1 ZINC000587734147 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2cc(F)ccc2O)N1 ZINC000587734148 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2cc(F)ccc2O)N1 ZINC000587734149 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2cc(F)ccc2O)N1 ZINC000587734150 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2cc(F)ccc2O)N1 ZINC000587734249 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2cc(F)ccc2O)N1 ZINC000587734250 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2cc(F)ccc2O)N1 ZINC000587734251 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C3CC3)c2)(c2cc(F)ccc2O)N1 ZINC000587734252 KJ Annotated Mild C[C@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)N1 ZINC000587734380 KJ Annotated Clean C[C@@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)N1 ZINC000587734389 KJ Annotated Clean C[C@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)N1 ZINC000587734392 KJ Annotated Clean C[C@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)N1 ZINC000587734393 KJ Annotated Clean C[C@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)N1 ZINC000587734394 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c(F)c(N3C[C@@H](C)N[C@H](C)C3)c(F)c(F)c12 ZINC000587734395 KJ Annotated Clean C[C@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)N1 ZINC000587734403 KJ Annotated Clean C[C@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)N1 ZINC000587734406 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c(F)c(N3C[C@@H](C)N[C@H](C)C3)c(F)c(F)c12 ZINC000587734409 KJ Annotated Clean C[C@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)N1 ZINC000587734411 KJ Annotated Clean C[C@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)N1 ZINC000587734413 KJ Annotated Clean C[C@@H]1CN(c2c(F)c(F)c3c(c2F)N(C2CC2)C=C(C(=O)O)[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)N1 ZINC000587734418 KJ Annotated Clean CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(I)ccc2O1 ZINC000587734763 KJ Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(I)ccc2O1 ZINC000587734769 KJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(I)ccc2O1 ZINC000587734771 KJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(I)ccc2O1 ZINC000587734774 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H]2CN(C(=O)OC(C)(C)C)CC2=O)N1 ZINC000587734956 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H]2CN(C(=O)OC(C)(C)C)CC2=O)N1 ZINC000587734983 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H]2CN(C(=O)OC(C)(C)C)CC2=O)N1 ZINC000587734984 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H]2CN(C(=O)OC(C)(C)C)CC2=O)N1 ZINC000587734987 KJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(I)ccc2O1 ZINC000587735081 KJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(I)ccc2O1 ZINC000587735083 KJ Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(I)ccc2O1 ZINC000587735085 KJ Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(I)ccc2O1 ZINC000587735087 KJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000587735262 KJ Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000587735272 KJ Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000587735275 KJ Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000587735279 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587735318 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587735320 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587735323 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587735325 KJ Annotated Anodyne CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735334 KJ Annotated Clean CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735338 KJ Annotated Clean CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735342 KJ Annotated Clean CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c1N(C1CC1)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735347 KJ Annotated Clean COC1=C(Br)N(C)C=C(I)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735358 KJ Annotated Anodyne COC1=C(Br)N(C)C=C(I)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735361 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)[C@@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=CN3C2CC2)CC1 ZINC000587735363 KJ Annotated Clean COC1=C(Br)N(C)C=C(I)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735365 KJ Annotated Anodyne COC1=C(Br)N(C)C=C(I)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735367 KJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)[C@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=CN3C2CC2)CC1 ZINC000587735368 KJ Annotated Clean CCN1CCN(c2cc3c(cc2F)[C@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=CN3C2CC2)CC1 ZINC000587735371 KJ Annotated Clean CCN1CCN(c2cc3c(cc2F)[C@@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=CN3C2CC2)CC1 ZINC000587735374 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCCC3)c(F)cc12 ZINC000587735450 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCCC3)c(F)cc12 ZINC000587735452 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCCC3)c(F)cc12 ZINC000587735455 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCCC3)c(F)cc12 ZINC000587735457 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3nn(C)cc3I)cc2)N1 ZINC000587735683 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3nn(C)cc3I)cc2)N1 ZINC000587735684 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3nn(C)cc3I)cc2)N1 ZINC000587735685 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3nn(C)cc3I)cc2)N1 ZINC000587735686 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(I)=CN(CC(=O)OCCCl)C=C2I ZINC000587736111 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(I)=CN(CC(=O)OCCCl)C=C2I ZINC000587736113 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3[nH]cc(I)c3c2)N1 ZINC000587736298 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3[nH]cc(I)c3c2)N1 ZINC000587736299 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3[nH]cc(I)c3c2)N1 ZINC000587736300 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3[nH]cc(I)c3c2)N1 ZINC000587736301 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(I)cc2)N1 ZINC000587736415 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(I)cc2)N1 ZINC000587736430 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(I)cc2)N1 ZINC000587736433 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(I)cc2)N1 ZINC000587736435 KJ Annotated Anodyne CCOC(=O)C1=CN2c3c(cc(F)c(F)c3OC[C@@H]2C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587736437 KJ Annotated Anodyne CCOC(=O)C1=CN2c3c(cc(F)c(F)c3OC[C@@H]2C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587736454 KJ Annotated Anodyne CCOC(=O)C1=CN2c3c(cc(F)c(F)c3OC[C@@H]2C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587736456 KJ Annotated Anodyne CCOC(=O)C1=CN2c3c(cc(F)c(F)c3OC[C@@H]2C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587736459 KJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000587736504 KJ Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000587736507 KJ Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000587736513 KJ Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000587736519 KJ Annotated Clean COc1cc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587736716 KJ Annotated Anodyne COc1cc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587736718 KJ Annotated Anodyne COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587736721 KJ Annotated Anodyne COc1cc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587736723 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H]2CN(C(=O)OC(C)(C)C)CC2=O)N1 ZINC000587736864 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H]2CN(C(=O)OC(C)(C)C)CC2=O)N1 ZINC000587736867 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H]2CN(C(=O)OC(C)(C)C)CC2=O)N1 ZINC000587736870 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H]2CN(C(=O)OC(C)(C)C)CC2=O)N1 ZINC000587736873 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCC3)c(F)cc12 ZINC000587736947 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCC3)c(F)cc12 ZINC000587736949 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCC3)c(F)cc12 ZINC000587736951 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCC3)c(F)cc12 ZINC000587736953 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc12 ZINC000587736971 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc12 ZINC000587736974 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc12 ZINC000587736977 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc12 ZINC000587736980 KJ Annotated Clean Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587737100 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587737102 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587737105 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587737107 KJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1I ZINC000587737177 KJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1I ZINC000587737180 KJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1I ZINC000587737182 KJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1I ZINC000587737184 KJ Annotated Bother Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587737356 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587737360 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587737364 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587737368 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCC3)c(F)cc12 ZINC000587737463 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCC3)c(F)cc12 ZINC000587737466 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCC3)c(F)cc12 ZINC000587737470 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(N3CCCC3)c(F)cc12 ZINC000587737474 KJ Annotated Clean COC(=O)C[C@]1(c2cccc(I)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737478 KJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(I)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737487 KJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(I)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737490 KJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(I)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737492 KJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(I)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737536 KJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(I)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737537 KJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(I)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737538 KJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(I)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737539 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3c(I)cnn3C)c2)N1 ZINC000587737653 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3c(I)cnn3C)c2)N1 ZINC000587737654 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3c(I)cnn3C)c2)N1 ZINC000587737656 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3c(I)cnn3C)c2)N1 ZINC000587737658 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(I)cc2)N1 ZINC000587737660 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(I)cc2)N1 ZINC000587737667 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(I)cc2)N1 ZINC000587737669 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(I)cc2)N1 ZINC000587737671 KJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587737832 KJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587737833 KJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587737834 KJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587737835 KJ Annotated Anodyne COc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737934 KJ Annotated Anodyne COc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737935 KJ Annotated Anodyne COc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737936 KJ Annotated Anodyne COc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737937 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(I)cc2)N1 ZINC000587737946 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(I)cc2)N1 ZINC000587737947 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(I)cc2)N1 ZINC000587737948 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(I)cc2)N1 ZINC000587737949 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737962 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737963 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737964 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737965 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3c(I)cnn3C)c2)N1 ZINC000587737986 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3c(I)cnn3C)c2)N1 ZINC000587737987 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3c(I)cnn3C)c2)N1 ZINC000587737988 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3c(I)cnn3C)c2)N1 ZINC000587737989 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738026 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738027 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738028 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738029 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CI)cc2)N1 ZINC000587738130 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CI)cc2)N1 ZINC000587738131 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CI)cc2)N1 ZINC000587738132 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CI)cc2)N1 ZINC000587738133 KJ Annotated Reactive C#CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587738138 KJ Annotated Mild C#CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587738139 KJ Annotated Mild C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587738140 KJ Annotated Mild C#CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587738141 KJ Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1I ZINC000587738182 KJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1I ZINC000587738183 KJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1I ZINC000587738184 KJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1I ZINC000587738185 KJ Annotated Bother COc1cc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738312 KJ Annotated Anodyne COc1cc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738313 KJ Annotated Anodyne COc1cc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738314 KJ Annotated Anodyne COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738315 KJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OC ZINC000587738356 KJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OC ZINC000587738357 KJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OC ZINC000587738358 KJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OC ZINC000587738359 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738392 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738393 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738394 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738395 KJ Annotated Anodyne COc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738497 KJ Annotated Anodyne COc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738498 KJ Annotated Anodyne COc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738499 KJ Annotated Anodyne COc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738500 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CI)cc2)N1 ZINC000587738545 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CI)cc2)N1 ZINC000587738546 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CI)cc2)N1 ZINC000587738547 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CI)cc2)N1 ZINC000587738548 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c1F ZINC000587738652 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c1F ZINC000587738656 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c1F ZINC000587738658 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c1F ZINC000587738661 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(N3CCN[C@H](C)C3)c2F)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587738737 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(N3CCN[C@H](C)C3)c2F)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587738743 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(N3CCN[C@H](C)C3)c2F)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587738746 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(N3CCN[C@H](C)C3)c2F)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587738749 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)cnn2[C@H]2CCCCO2)N1 ZINC000587738855 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)cnn2[C@@H]2CCCCO2)N1 ZINC000587738856 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)cnn2[C@H]2CCCCO2)N1 ZINC000587738858 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)cnn2[C@@H]2CCCCO2)N1 ZINC000587738860 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)cnn2[C@H]2CCCCO2)N1 ZINC000587738900 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)cnn2[C@@H]2CCCCO2)N1 ZINC000587738902 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)cnn2[C@@H]2CCCCO2)N1 ZINC000587738903 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)cnn2[C@H]2CCCCO2)N1 ZINC000587738904 KJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738909 KJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738910 KJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738911 KJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738912 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(I)cc2)N1 ZINC000587738917 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(I)cc2)N1 ZINC000587738918 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(I)cc2)N1 ZINC000587738919 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(I)cc2)N1 ZINC000587738920 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(O)c(Br)n2)N1 ZINC000587739010 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(O)c(Br)n2)N1 ZINC000587739011 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(O)c(Br)n2)N1 ZINC000587739012 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(O)c(Br)n2)N1 ZINC000587739013 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739212 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739213 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739214 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739215 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739228 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739229 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739230 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739231 KJ Annotated Anodyne C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739405 KJ Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739408 KJ Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739409 KJ Annotated Mild C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739412 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(O)ccc1Oc1c(CO)ccc(NCCN(C)C)c12 ZINC000587739458 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(O)ccc1Oc1c(CO)ccc(NCCN(C)C)c12 ZINC000587739459 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(O)ccc1Oc1c(CO)ccc(NCCN(C)C)c12 ZINC000587739460 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(O)ccc1Oc1c(CO)ccc(NCCN(C)C)c12 ZINC000587739461 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c1F ZINC000587740085 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c1F ZINC000587740086 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c1F ZINC000587740087 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c1F ZINC000587740089 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(N3CCN[C@H](C)C3)c2F)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740173 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(N3CCN[C@H](C)C3)c2F)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740174 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(N3CCN[C@H](C)C3)c2F)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740175 KJ Annotated Clean CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(N3CCN[C@H](C)C3)c2F)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740176 KJ Annotated Clean C/C(NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740193 KJ Annotated Mild C/C(NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740194 KJ Annotated Mild C/C(NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740195 KJ Annotated Mild C/C(NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740196 KJ Annotated Mild C/C(NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740197 KJ Annotated Mild C/C(NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740198 KJ Annotated Mild C/C(NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740199 KJ Annotated Mild C/C(NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740200 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(O)c(Br)n2)N1 ZINC000587740489 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(O)c(Br)n2)N1 ZINC000587740490 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(O)c(Br)n2)N1 ZINC000587740491 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(O)c(Br)n2)N1 ZINC000587740492 KJ Annotated Anodyne CCOC(=O)C1=CN2c3c(cc(F)c(F)c3OC[C@@H]2C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740501 KJ Annotated Anodyne CCOC(=O)C1=CN2c3c(cc(F)c(F)c3OC[C@@H]2C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740502 KJ Annotated Anodyne CCOC(=O)C1=CN2c3c(cc(F)c(F)c3OC[C@@H]2C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740503 KJ Annotated Anodyne CCOC(=O)C1=CN2c3c(cc(F)c(F)c3OC[C@@H]2C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740504 KJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OC ZINC000587740933 KJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OC ZINC000587740934 KJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OC ZINC000587740935 KJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OC ZINC000587740936 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740953 KJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740954 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740955 KJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740956 KJ Annotated Anodyne C#CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587740961 KJ Annotated Mild C#CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587740962 KJ Annotated Mild C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587740963 KJ Annotated Mild C#CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587740964 KJ Annotated Mild Cc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587741072 KJ Annotated Clean Cc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587741085 KJ Annotated Clean Cc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587741087 KJ Annotated Clean Cc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587741089 KJ Annotated Clean COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)N(C)C)c1 ZINC000587741353 KJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)N(C)C)c1 ZINC000587741359 KJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)N(C)C)c1 ZINC000587741362 KJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)N(C)C)c1 ZINC000587741364 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741463 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741465 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741468 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741470 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741783 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741784 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741785 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741788 KJ Annotated Anodyne Cc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587742736 KJ Annotated Clean Cc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587742738 KJ Annotated Clean Cc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587742740 KJ Annotated Clean Cc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587742743 KJ Annotated Clean COc1c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c(OC)c2occc12 ZINC000587742777 KJ Annotated Clean COc1c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c(OC)c2occc12 ZINC000587742780 KJ Annotated Clean COc1c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c(OC)c2occc12 ZINC000587742783 KJ Annotated Clean COc1c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c(OC)c2occc12 ZINC000587742785 KJ Annotated Clean COc1c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c(OC)c2occc12 ZINC000587743193 KJ Annotated Clean COc1c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c(OC)c2occc12 ZINC000587743194 KJ Annotated Clean COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743285 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743304 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743309 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743310 KJ Annotated Mild COc1c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c(OC)c2occc12 ZINC000587743368 KJ Annotated Clean COc1c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c(OC)c2occc12 ZINC000587743371 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(O)ccc1Oc1c(CO)ccc(NCCN(C)C)c12 ZINC000587743494 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(O)ccc1Oc1c(CO)ccc(NCCN(C)C)c12 ZINC000587743498 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(O)ccc1Oc1c(CO)ccc(NCCN(C)C)c12 ZINC000587743502 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(O)ccc1Oc1c(CO)ccc(NCCN(C)C)c12 ZINC000587743506 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)OCC ZINC000587743657 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)OCC ZINC000587743662 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)OCC ZINC000587743664 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)OCC ZINC000587743666 KJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)N(C)C)c1 ZINC000587743788 KJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)N(C)C)c1 ZINC000587743791 KJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)N(C)C)c1 ZINC000587743794 KJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)N(C)C)c1 ZINC000587743795 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)OCC ZINC000587743935 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)OCC ZINC000587743936 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)OCC ZINC000587743937 KJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)OCC ZINC000587743938 KJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587744244 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587744249 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587744251 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587744254 KJ Annotated Bother COc1cc2c(c(OC)c1OC)C1=CC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(=O)C=C1[C@@H](N)CC2 ZINC000587744499 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)C=C1[C@@H](N)CC2 ZINC000587744507 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)C=C1[C@@H](N)CC2 ZINC000587744509 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(=O)C=C1[C@@H](N)CC2 ZINC000587744510 KJ Annotated Mild CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745030 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745032 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745034 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745036 KJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])CC1 ZINC000587745291 KJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])CC1 ZINC000587745293 KJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])CC1 ZINC000587745294 KJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])CC1 ZINC000587745296 KJ Annotated Clean CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587745721 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587745724 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587745726 KJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587745729 KJ Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587745878 KJ Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587745897 KJ Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587745901 KJ Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587745906 KJ Annotated Bother CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745966 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745967 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745968 KJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745969 KJ Annotated Anodyne COC1=C(N)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587746369 KJ Annotated Mild COC1=C(N)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587746372 KJ Annotated Mild COC1=C(N)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587746375 KJ Annotated Mild COC1=C(N)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587746378 KJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000587746481 KJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000587746484 KJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000587746486 KJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000587746488 KJ Annotated Clean COc1cc2c(c(OC)c1OC)C1=CCC(=O)[C@@]3(C=C1[C@@H](N)CC2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587746569 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CCC(=O)[C@]3(C=C1[C@@H](N)CC2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587746570 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CCC(=O)[C@@]3(C=C1[C@@H](N)CC2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587746571 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CCC(=O)[C@]3(C=C1[C@@H](N)CC2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587746572 KJ Annotated Anodyne COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746642 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746643 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746644 KJ Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746645 KJ Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587746712 KJ Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587746713 KJ Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587746714 KJ Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587746715 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 ZINC000587746756 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 ZINC000587746758 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 ZINC000587746761 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 ZINC000587746763 KJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587746852 KJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587746868 KJ Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587746870 KJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587746872 KJ Annotated Bother C/C(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747002 KJ Annotated Mild C/C(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747009 KJ Annotated Mild C/C(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747011 KJ Annotated Mild C/C(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747012 KJ Annotated Mild C/C(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747013 KJ Annotated Mild C/C(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747014 KJ Annotated Mild C/C(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747015 KJ Annotated Mild C/C(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747016 KJ Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587748002 KJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587748003 KJ Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587748004 KJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587748005 KJ Annotated Bother COC1=C(N)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587748491 KJ Annotated Mild COC1=C(N)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587748494 KJ Annotated Mild COC1=C(N)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587748498 KJ Annotated Mild COC1=C(N)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587748500 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 ZINC000587748561 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 ZINC000587748562 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 ZINC000587748564 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 ZINC000587748566 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587748598 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587748599 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587748600 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587748601 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587749222 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587749223 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587749224 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587749225 KJ Annotated Bother C/C(N[C@H](CO)Cc1ccc(O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749320 KJ Annotated Mild C/C(N[C@H](CO)Cc1ccc(O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749322 KJ Annotated Mild C/C(N[C@H](CO)Cc1ccc(O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749323 KJ Annotated Mild C/C(N[C@H](CO)Cc1ccc(O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749324 KJ Annotated Mild C=CCOC(=O)NCCC[C@H](N/C(C)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12)C(=O)O ZINC000587749739 KJ Annotated Mild C=CCOC(=O)NCCC[C@H](N/C(C)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)C(=O)O ZINC000587749746 KJ Annotated Mild C=CCOC(=O)NCCC[C@H](N/C(C)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)C(=O)O ZINC000587749747 KJ Annotated Mild C=CCOC(=O)NCCC[C@H](N/C(C)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12)C(=O)O ZINC000587749748 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)C=C1[C@@H](N)CC2 ZINC000587750018 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)C=C1[C@@H](N)CC2 ZINC000587750019 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(=O)C=C1[C@@H](N)CC2 ZINC000587750023 KJ Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(=O)C=C1[C@@H](N)CC2 ZINC000587750025 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587750296 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587750298 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587750300 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587750301 KJ Annotated Bother C/C(NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750557 KJ Annotated Mild C/C(NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750559 KJ Annotated Mild C/C(NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750564 KJ Annotated Mild C/C(NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750569 KJ Annotated Mild C/C(NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750574 KJ Annotated Mild C/C(NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750578 KJ Annotated Mild C/C(NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750581 KJ Annotated Mild C/C(NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750586 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587750863 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587750865 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587750897 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587750900 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587750902 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587750904 KJ Annotated Bother C/C(N[C@H](CO)Cc1ccc(O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750950 KJ Annotated Mild C/C(N[C@H](CO)Cc1ccc(O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750953 KJ Annotated Mild C/C(N[C@H](CO)Cc1ccc(O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750955 KJ Annotated Mild C/C(N[C@H](CO)Cc1ccc(O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750956 KJ Annotated Mild C=CCOC(=O)NCCC[C@H](N/C(C)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)C(=O)O ZINC000587751114 KJ Annotated Mild C=CCOC(=O)NCCC[C@H](N/C(C)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)C(=O)O ZINC000587751115 KJ Annotated Mild C=CCOC(=O)NCCC[C@H](N/C(C)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12)C(=O)O ZINC000587751118 KJ Annotated Mild C=CCOC(=O)NCCC[C@H](N/C(C)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12)C(=O)O ZINC000587751121 KJ Annotated Mild C/C(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751317 KJ Annotated Mild C/C(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751318 KJ Annotated Mild C/C(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751319 KJ Annotated Mild C/C(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751320 KJ Annotated Mild C/C(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751321 KJ Annotated Mild C/C(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751322 KJ Annotated Mild C/C(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751323 KJ Annotated Mild C/C(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751324 KJ Annotated Mild CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587751659 KJ Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587751662 KJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587751665 KJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587751667 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CCC(=O)[C@]3(C=C1[C@@H](N)CC2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587751865 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CCC(=O)[C@@]3(C=C1[C@@H](N)CC2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587751869 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CCC(=O)[C@]3(C=C1[C@@H](N)CC2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587751870 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CCC(=O)[C@@]3(C=C1[C@@H](N)CC2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587751871 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)NCCNC(=O)OCc3ccccc3)c2)N1 ZINC000587752231 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)NCCNC(=O)OCc3ccccc3)c2)N1 ZINC000587752232 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)NCCNC(=O)OCc3ccccc3)c2)N1 ZINC000587752233 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)NCCNC(=O)OCc3ccccc3)c2)N1 ZINC000587752234 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752235 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752236 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752237 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752238 KJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752419 KJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752420 KJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752421 KJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752422 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)OCC)n1 ZINC000587752447 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)OCC)n1 ZINC000587752448 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)OCC)n1 ZINC000587752449 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)OCC)n1 ZINC000587752450 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587752572 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587752574 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587752575 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587752577 KJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(cccc1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587752579 KJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(cccc1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587752581 KJ Annotated Bother CCOC(=O)c1cn(C[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)OCC)n1 ZINC000587752753 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)OCC)n1 ZINC000587752754 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)OCC)n1 ZINC000587752755 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)OCC)n1 ZINC000587752757 KJ Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587752814 KJ Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587752815 KJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587752816 KJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587752817 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)OCC)n1 ZINC000587753474 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)OCC)n1 ZINC000587753476 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)OCC)n1 ZINC000587753479 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)OCC)n1 ZINC000587753481 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753657 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753659 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753661 KJ Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753663 KJ Annotated Anodyne C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587753720 KJ Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587753723 KJ Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587753726 KJ Annotated Mild C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587753730 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587753762 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587753764 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(cccc1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754313 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(cccc1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754317 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754485 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754486 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754487 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754489 KJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)NCCNC(=O)OCc3ccccc3)c2)N1 ZINC000587754785 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)NCCNC(=O)OCc3ccccc3)c2)N1 ZINC000587754787 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)NCCNC(=O)OCc3ccccc3)c2)N1 ZINC000587754788 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)NCCNC(=O)OCc3ccccc3)c2)N1 ZINC000587754790 KJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587755715 KJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587755717 KJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587755718 KJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587755719 KJ Annotated Anodyne CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)N(CCC(=O)O)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757752 KJ Annotated Anodyne CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)N(CCC(=O)O)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757755 KJ Annotated Anodyne CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)N(CCC(=O)O)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757761 KJ Annotated Anodyne CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)N(CCC(=O)O)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757767 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)(CNC(=O)OC(C)(C)C)N1 ZINC000587757978 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)(CNC(=O)OC(C)(C)C)N1 ZINC000587757981 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)(CNC(=O)OC(C)(C)C)N1 ZINC000587757983 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)(CNC(=O)OC(C)(C)C)N1 ZINC000587757986 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758869 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758871 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758874 KJ Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758877 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)OCC)n1 ZINC000587758904 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)OCC)n1 ZINC000587758908 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)OCC)n1 ZINC000587758911 KJ Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)OCC)n1 ZINC000587758915 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)(CNC(=O)OC(C)(C)C)N1 ZINC000587758995 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)(CNC(=O)OC(C)(C)C)N1 ZINC000587758998 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)(CNC(=O)OC(C)(C)C)N1 ZINC000587759001 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)(CNC(=O)OC(C)(C)C)N1 ZINC000587759003 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2N)N1 ZINC000587759548 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2N)N1 ZINC000587759549 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2N)N1 ZINC000587759550 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2N)N1 ZINC000587759551 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759842 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759843 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759844 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759845 KJ Annotated Anodyne CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)N(CCC(=O)O)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760903 KJ Annotated Anodyne CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)N(CCC(=O)O)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760904 KJ Annotated Anodyne CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)N(CCC(=O)O)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760905 KJ Annotated Anodyne CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)N(CCC(=O)O)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760906 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761019 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761020 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761021 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761022 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2N)N1 ZINC000587761348 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2N)N1 ZINC000587761349 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2N)N1 ZINC000587761350 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2N)N1 ZINC000587761351 KJ Annotated Anodyne CC(C)c1ccc([C@@H]2[C@@H]([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587762276 KJ Annotated Anodyne CC(C)c1ccc([C@@H]2[C@H]([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587762277 KJ Annotated Anodyne CC(C)c1ccc([C@H]2[C@@H]([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587762278 KJ Annotated Anodyne CC(C)c1ccc([C@H]2[C@H]([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587762279 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762540 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762542 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762544 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762546 KJ Annotated Anodyne CC(C)c1ccc([C@H]2[C@@H]([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587762606 KJ Annotated Anodyne CC(C)c1ccc([C@@H]2[C@@H]([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587762607 KJ Annotated Anodyne CC(C)c1ccc([C@@H]2[C@H]([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587762608 KJ Annotated Anodyne CC(C)c1ccc([C@H]2[C@H]([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587762609 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)N1 ZINC000587762742 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)N1 ZINC000587762743 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)N1 ZINC000587762744 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)N1 ZINC000587762745 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762787 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762789 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762792 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)N(Cc2ccc(OC)cc2)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762794 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587762903 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587762905 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587762936 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587762937 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587762996 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587762997 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587762998 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587762999 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)N1 ZINC000587763366 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)N1 ZINC000587763367 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)N1 ZINC000587763368 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)N1 ZINC000587763369 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763537 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763539 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763541 KJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763544 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763648 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763649 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763650 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763651 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763716 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763717 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763718 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763719 KJ Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C[C@@H](O)CN1CCCC1 ZINC000587763861 KJ Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C[C@H](O)CN1CCCC1 ZINC000587763868 KJ Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C[C@H](O)CN1CCCC1 ZINC000587763871 KJ Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C[C@@H](O)CN1CCCC1 ZINC000587763872 KJ Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C[C@H](O)CN1CCCC1 ZINC000587763974 KJ Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C[C@H](O)CN1CCCC1 ZINC000587763976 KJ Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C[C@@H](O)CN1CCCC1 ZINC000587763978 KJ Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C[C@@H](O)CN1CCCC1 ZINC000587763980 KJ Annotated Clean CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764156 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764157 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764158 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764159 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764206 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764208 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764210 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764211 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765179 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765183 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765186 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765189 KJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C#N)CC1 ZINC000587765506 KJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C#N)CC1 ZINC000587765507 KJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C#N)CC1 ZINC000587765508 KJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C#N)CC1 ZINC000587765509 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2O)N1 ZINC000587765588 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2O)N1 ZINC000587765589 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2O)N1 ZINC000587765590 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2O)N1 ZINC000587765591 KJ Annotated Clean Cc1ccc(NC(=O)CN2C(=O)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587765696 KJ Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587765697 KJ Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587765698 KJ Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587765699 KJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C#N)CC1 ZINC000587765900 KJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C#N)CC1 ZINC000587765901 KJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C#N)CC1 ZINC000587765902 KJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C#N)CC1 ZINC000587765903 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=C/C2=C2\N/C(=C3\C=CC=CC3=O)N(c3ccc(C(=O)O)cc3)N2)N1 ZINC000587766154 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=C/C2=C2\N/C(=C3/C=CC=CC3=O)N(c3ccc(C(=O)O)cc3)N2)N1 ZINC000587766159 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C/C2=C2\N/C(=C3/C=CC=CC3=O)N(c3ccc(C(=O)O)cc3)N2)N1 ZINC000587766163 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C/C2=C2\N/C(=C3\C=CC=CC3=O)N(c3ccc(C(=O)O)cc3)N2)N1 ZINC000587766166 KJ Annotated Mild CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587766263 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587766266 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587766271 KJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587766274 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)C/C2=C/N(C)C)N1 ZINC000587766332 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)C/C2=C\N(C)C)N1 ZINC000587766351 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)C/C2=C\N(C)C)N1 ZINC000587766355 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)C/C2=C/N(C)C)N1 ZINC000587766359 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766558 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766560 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766564 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766569 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766625 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766631 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766632 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766634 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=C/C2=C2\N/C(=C3\C=CC=CC3=O)N(c3ccc(C(=O)O)cc3)N2)N1 ZINC000587766702 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=C/C2=C2\N/C(=C3/C=CC=CC3=O)N(c3ccc(C(=O)O)cc3)N2)N1 ZINC000587766703 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C/C2=C2\N/C(=C3/C=CC=CC3=O)N(c3ccc(C(=O)O)cc3)N2)N1 ZINC000587766704 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C/C2=C2\N/C(=C3\C=CC=CC3=O)N(c3ccc(C(=O)O)cc3)N2)N1 ZINC000587766705 KJ Annotated Mild CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767100 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767126 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767127 KJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767128 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)N1 ZINC000587767138 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)N1 ZINC000587767147 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)N1 ZINC000587767150 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)N1 ZINC000587767151 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C/C2=C2\N/C(=C3\C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)N1 ZINC000587767164 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C/C2=C2\N/C(=C3/C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)N1 ZINC000587767174 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C/C2=C2/N/C(=C3\C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)N1 ZINC000587767182 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C/C2=C2/N/C(=C3/C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)N1 ZINC000587767188 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2c(=O)c(=O)n(C)c3ccccc32)(c2ccc3c(c2)CCC3)N1 ZINC000587767423 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2c(=O)c(=O)n(C)c3ccccc32)(c2ccc3c(c2)CCC3)N1 ZINC000587767428 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)N1 ZINC000587767519 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)N1 ZINC000587767520 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)N1 ZINC000587767521 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)N1 ZINC000587767522 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2(O)CCN(C(=O)c3ccc4ncccc4c3)CC2)N1 ZINC000587767641 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2(O)CCN(C(=O)c3ccc4ncccc4c3)CC2)N1 ZINC000587767642 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2(O)CCN(C(=O)c3ccc4ncccc4c3)CC2)N1 ZINC000587767644 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC2(O)CCN(C(=O)c3ccc4ncccc4c3)CC2)N1 ZINC000587767646 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2c(=O)c(=O)n(C)c3ccccc32)(c2ccc3c(c2)CCC3)N1 ZINC000587767682 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2c(=O)c(=O)n(C)c3ccccc32)(c2ccc3c(c2)CCC3)N1 ZINC000587767686 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767777 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767779 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767782 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767783 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2O)N1 ZINC000587768748 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2O)N1 ZINC000587768751 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2O)N1 ZINC000587768753 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2O)N1 ZINC000587768755 KJ Annotated Clean CCOC(=O)C1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587768835 KJ Annotated Anodyne CCOC(=O)C1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587768838 KJ Annotated Anodyne CCOC(=O)C1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587768840 KJ Annotated Anodyne CCOC(=O)C1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587768842 KJ Annotated Anodyne CCOC(=O)C1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587768857 KJ Annotated Anodyne CCOC(=O)C1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587768858 KJ Annotated Anodyne CCOC(=O)C1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587768859 KJ Annotated Anodyne CCOC(=O)C1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587768861 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)[C@]1(C=C(C(=O)O)N2CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769582 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)[C@]1(C=C(C(=O)O)N2CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769583 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)[C@@]1(C=C(C(=O)O)N2CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769584 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)[C@@]1(C=C(C(=O)O)N2CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769585 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769700 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769701 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769702 KJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769703 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)[C@@]1(C=C(C(=O)O)N2CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770173 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)[C@@]1(C=C(C(=O)O)N2CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770174 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)[C@]1(C=C(C(=O)O)N2CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770175 KJ Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)[C@]1(C=C(C(=O)O)N2CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770176 KJ Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770203 KJ Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770204 KJ Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770205 KJ Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770206 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2c(=O)c(=O)n(C)c3ccccc32)(c2ccc3c(c2)CCC3)N1 ZINC000587770312 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2c(=O)c(=O)n(C)c3ccccc32)(c2ccc3c(c2)CCC3)N1 ZINC000587770315 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2c(=O)c(=O)n(C)c3ccccc32)(c2ccc3c(c2)CCC3)N1 ZINC000587770316 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2c(=O)c(=O)n(C)c3ccccc32)(c2ccc3c(c2)CCC3)N1 ZINC000587770319 KJ Annotated Anodyne COC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587770396 KJ Annotated Anodyne COC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587770401 KJ Annotated Anodyne COC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587770404 KJ Annotated Anodyne COC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587770407 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)N1C(=O)OC(C)(C)C ZINC000587770489 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)N1C(=O)OC(C)(C)C ZINC000587770493 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)N1C(=O)OC(C)(C)C ZINC000587770497 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)N1C(=O)OC(C)(C)C ZINC000587770502 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34N[C@H](C)Cc3ccc(F)c(Br)c34)OC2=O)cc1 ZINC000587771119 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34N[C@@H](C)Cc3ccc(F)c(Br)c34)OC2=O)cc1 ZINC000587771134 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34N[C@H](C)Cc3ccc(F)c(Br)c34)OC2=O)cc1 ZINC000587771141 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34N[C@@H](C)Cc3ccc(F)c(Br)c34)OC2=O)cc1 ZINC000587771145 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2(O)CCN(C(=O)c3ccc4ncccc4c3)CC2)N1 ZINC000587771641 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC2(O)CCN(C(=O)c3ccc4ncccc4c3)CC2)N1 ZINC000587771642 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2(O)CCN(C(=O)c3ccc4ncccc4c3)CC2)N1 ZINC000587771644 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2(O)CCN(C(=O)c3ccc4ncccc4c3)CC2)N1 ZINC000587771646 KJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771819 KJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771831 KJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771832 KJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771833 KJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771971 KJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772341 KJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772343 KJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772346 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C/C2=C2\N/C(=C3\C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)N1 ZINC000587772785 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C/C2=C2\N/C(=C3/C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)N1 ZINC000587772786 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C/C2=C2/N/C(=C3\C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)N1 ZINC000587772787 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C/C2=C2/N/C(=C3/C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)N1 ZINC000587772788 KJ Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772988 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772989 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772990 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772991 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587773607 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587773609 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587773612 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587773615 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773985 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773986 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773987 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773988 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34N[C@H](C)Cc3cc(Br)c(F)cc34)OC2=O)cc1 ZINC000587774426 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34N[C@@H](C)Cc3cc(Br)c(F)cc34)OC2=O)cc1 ZINC000587774427 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34N[C@@H](C)Cc3cc(Br)c(F)cc34)OC2=O)cc1 ZINC000587774428 KJ Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34N[C@H](C)Cc3cc(Br)c(F)cc34)OC2=O)cc1 ZINC000587774429 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)N1C(=O)OC(C)(C)C ZINC000587775144 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)N1C(=O)OC(C)(C)C ZINC000587775145 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)N1C(=O)OC(C)(C)C ZINC000587775146 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)N1C(=O)OC(C)(C)C ZINC000587775147 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34N[C@H](C)Cc3ccc(F)c(Br)c34)OC2=O)cc1 ZINC000587775152 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34N[C@H](C)Cc3ccc(F)c(Br)c34)OC2=O)cc1 ZINC000587775153 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34N[C@@H](C)Cc3ccc(F)c(Br)c34)OC2=O)cc1 ZINC000587775154 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34N[C@@H](C)Cc3ccc(F)c(Br)c34)OC2=O)cc1 ZINC000587775155 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34N[C@H](C)Cc3cc(Br)c(F)cc34)OC2=O)cc1 ZINC000587775876 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34N[C@H](C)Cc3cc(Br)c(F)cc34)OC2=O)cc1 ZINC000587775882 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34N[C@@H](C)Cc3cc(Br)c(F)cc34)OC2=O)cc1 ZINC000587775889 KJ Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34N[C@@H](C)Cc3cc(Br)c(F)cc34)OC2=O)cc1 ZINC000587775892 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(-c3ccccn3)c2)(c2ccccc2O)N1 ZINC000587776287 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(-c3ccccn3)c2)(c2ccccc2O)N1 ZINC000587776288 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(-c3ccccn3)c2)(c2ccccc2O)N1 ZINC000587776289 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(-c3ccccn3)c2)(c2ccccc2O)N1 ZINC000587776290 KJ Annotated Mild COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776589 KJ Annotated Clean COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776591 KJ Annotated Clean COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776593 KJ Annotated Clean COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776596 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(-c3ccccn3)c2)(c2ccccc2O)N1 ZINC000587777090 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(-c3ccccn3)c2)(c2ccccc2O)N1 ZINC000587777091 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(-c3ccccn3)c2)(c2ccccc2O)N1 ZINC000587777092 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(-c3ccccn3)c2)(c2ccccc2O)N1 ZINC000587777094 KJ Annotated Mild COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587777253 KJ Annotated Clean COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587777256 KJ Annotated Clean COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587777258 KJ Annotated Clean COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587777260 KJ Annotated Clean CCOc1ccc(OCC)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587777591 KJ Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587777859 KJ Annotated Anodyne CCCOc1cccc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587778281 KJ Annotated Anodyne CCOCCOCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587778572 KJ Annotated Anodyne CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587778573 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COC/C=C/c3ccccc3)nc1-2 ZINC000587781160 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COC/C=C\c3ccccc3)nc1-2 ZINC000587781161 KJ Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781284 KJ Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781285 KJ Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781441 KJ Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781442 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCOCC4CC4)[nH]c3cc21 ZINC000587783269 KJ Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(O)c1O ZINC000587785026 KJ Annotated Clean COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(O)c1O ZINC000587785027 KJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cncc(Br)c2[nH]1 ZINC000587785278 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Br)ccnc2[nH]1 ZINC000587785500 KJ Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587785745 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)ncc2[nH]1 ZINC000587786022 KJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2c1 ZINC000587786233 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587786294 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)cnc2[nH]1 ZINC000587786527 KJ Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587786549 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587786688 KJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)c1OC ZINC000587786692 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587786779 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Br)nc2[nH]1 ZINC000587786903 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587786971 KJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)nc2c1 ZINC000587787027 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(I)cnc2[nH]1 ZINC000587787109 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2c1 ZINC000587787621 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587787820 KJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2c1 ZINC000587788271 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587788273 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccnc(Br)c2[nH]1 ZINC000587788331 KJ Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789463 KJ Annotated Clean CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789464 KJ Annotated Clean CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789465 KJ Annotated Clean CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789467 KJ Annotated Clean Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587789796 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587789804 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587789808 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587789813 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587790329 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587790332 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587790335 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587790337 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587790338 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587790345 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587790349 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587790353 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587790397 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587790399 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587790401 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587790404 KJ Annotated Clean COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587790423 KJ Annotated Anodyne C=C1N[C@]2(C(=O)COC(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C[C@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c26)O1 ZINC000587790424 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587790425 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587790426 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587790427 KJ Annotated Anodyne C=C1N[C@]2(C(=O)COC(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C[C@@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c26)O1 ZINC000587790429 KJ Annotated Anodyne C=C1N[C@]2(C(=O)COC(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C[C@@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c26)O1 ZINC000587790431 KJ Annotated Anodyne C=C1N[C@]2(C(=O)COC(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C[C@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c26)O1 ZINC000587790434 KJ Annotated Anodyne C=CC(C)(C)[C@@]12C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587790544 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587790552 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587790558 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587790563 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587790974 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587790975 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587790976 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587790977 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587791701 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587791703 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587791708 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587791712 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)N1 ZINC000587791741 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)N1 ZINC000587791750 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)N1 ZINC000587791752 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)N1 ZINC000587791754 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587791849 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587791859 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587791862 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587791865 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587793116 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587793118 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587793120 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587793122 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587793208 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587793211 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587793213 KJ Annotated Clean COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3[C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587793215 KJ Annotated Clean Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587793592 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587793593 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587793594 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587793595 KJ Annotated Anodyne C=CC(C)(C)[C@@]12C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587793636 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587793637 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587793638 KJ Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000587793639 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587793640 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587793641 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587793642 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587793643 KJ Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794213 KJ Annotated Clean CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794217 KJ Annotated Clean CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794218 KJ Annotated Clean CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794220 KJ Annotated Clean COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587794360 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587794363 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587794365 KJ Annotated Anodyne C=C1N[C@]2([C@]3(COC(C)=O)N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587794366 KJ Annotated Mild COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587794367 KJ Annotated Anodyne C=C1N[C@]2([C@@]3(COC(C)=O)N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587794391 KJ Annotated Mild C=C1N[C@]2([C@]3(COC(C)=O)N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587794396 KJ Annotated Mild C=C1N[C@]2([C@@]3(COC(C)=O)N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587794400 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587794463 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587794464 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587794465 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587794466 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587794525 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587794528 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587794531 KJ Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587794535 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587794954 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587794955 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587794956 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(c4ccccc4)CC3)nc12 ZINC000587794957 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587795333 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587795356 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587795358 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587795359 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)N1 ZINC000587795447 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)N1 ZINC000587795449 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)N1 ZINC000587795450 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)N1 ZINC000587795451 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587796154 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587796156 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587796159 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000587796163 KJ Annotated Anodyne C=C1N[C@]2([C@@]3(COC(C)=O)N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587796592 KJ Annotated Mild C=C1N[C@]2([C@]3(COC(C)=O)N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587796593 KJ Annotated Mild C=C1N[C@]2([C@]3(COC(C)=O)N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587796594 KJ Annotated Mild C=C1N[C@]2([C@@]3(COC(C)=O)N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587796595 KJ Annotated Mild CCCc1c(OCCCCc2nn[nH]n2)ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587796658 KJ Annotated Clean CCCc1c(OCCCCc2nn[nH]n2)ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587796659 KJ Annotated Clean CCCc1c(OCCCCc2nn[nH]n2)ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587796660 KJ Annotated Clean CCCc1c(OCCCCc2nn[nH]n2)ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587796661 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587796774 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587796777 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587796780 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3[C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)cc1 ZINC000587796783 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587796858 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587796860 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587796862 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)N1 ZINC000587796865 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587797781 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587797782 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587797783 KJ Annotated Anodyne COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587797784 KJ Annotated Anodyne COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587798306 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587798307 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587798308 KJ Annotated Clean COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3[C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)cc1 ZINC000587798309 KJ Annotated Clean Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587798398 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587798399 KJ Annotated Anodyne C=C1N[C@]2(C(=O)COC(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C[C@@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc26)O1 ZINC000587798702 KJ Annotated Anodyne C=C1N[C@]2(C(=O)COC(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C[C@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc26)O1 ZINC000587798703 KJ Annotated Anodyne C=C1N[C@]2(C(=O)COC(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C[C@@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc26)O1 ZINC000587798704 KJ Annotated Anodyne C=C1N[C@]2(C(=O)COC(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C[C@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc26)O1 ZINC000587798705 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587798728 KJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 ZINC000587798729 KJ Annotated Anodyne CCCc1c(OCCCCc2nn[nH]n2)ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587799560 KJ Annotated Clean CCCc1c(OCCCCc2nn[nH]n2)ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587799561 KJ Annotated Clean CCCc1c(OCCCCc2nn[nH]n2)ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587799562 KJ Annotated Clean CCCc1c(OCCCCc2nn[nH]n2)ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587799563 KJ Annotated Clean CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804038 KJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804040 KJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804041 KJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804043 KJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804856 KJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804857 KJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804858 KJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804859 KJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807147 KJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807152 KJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807156 KJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807159 KJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807828 KJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807829 KJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807830 KJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807831 KJ Annotated Clean CC(=O)Oc1cccc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587808779 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587808792 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587808798 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587808803 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812876 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812877 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812878 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812879 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813320 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813321 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813322 KJ Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813323 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587814163 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587814164 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587814165 KJ Annotated Anodyne CC(=O)Oc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000587814167 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]3(C)CC2)N1 ZINC000587819436 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]3(C)CC2)N1 ZINC000587819454 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]3(C)CC2)N1 ZINC000587819457 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]3(C)CC2)N1 ZINC000587819461 KJ Annotated Mild CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819490 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819494 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819496 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819499 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@@]1(CO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819501 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587819508 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587819509 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@]1(CO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819512 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819962 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819965 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587819967 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587819969 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587820725 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587820729 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587820733 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587820737 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587820832 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587820833 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587820834 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587820835 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821104 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821105 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821107 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821108 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=C[C@@]3(C=C12)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587821474 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=C[C@]3(C=C12)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587821475 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@H](C)C[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587821476 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)[C@@H](C)C[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587821477 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587821490 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587821491 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587821492 KJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587821493 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821542 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821547 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821550 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821554 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587821666 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587821667 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587821668 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587821669 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587821674 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587821675 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587821676 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587821677 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587821721 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@@]4(CO)N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587821724 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@]4(CO)N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587821727 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587821730 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821919 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821923 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821926 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587821929 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@]4(CO)N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587821973 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@@]4(CO)N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000587821975 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587821978 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587821982 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822257 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822259 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822261 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822262 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@]1(CO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822365 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@@]1(CO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822368 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587822369 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587822372 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C)[C@@H](CC[C@]3(O)[C@H](O)CO)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]32)N1 ZINC000587822547 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C)[C@@H](CC[C@]3(O)[C@H](O)CO)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]32)N1 ZINC000587822549 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C)[C@@H](CC[C@]3(O)[C@H](O)CO)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]32)N1 ZINC000587822552 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C)[C@@H](CC[C@]3(O)[C@H](O)CO)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]32)N1 ZINC000587822554 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]3(C)CC2)N1 ZINC000587822595 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]3(C)CC2)N1 ZINC000587822596 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]3(C)CC2)N1 ZINC000587822597 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]3(C)CC2)N1 ZINC000587822600 KJ Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823004 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823008 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587823010 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587823015 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)CCC(=O)O)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587823046 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)CCC(=O)O)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587823051 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)CCC(=O)O)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587823054 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)CCC(=O)O)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587823056 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587823130 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587823133 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587823137 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)(C(=O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587823138 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=C[C@@]3(C=C12)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587823228 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@H](C)C[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587823229 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)[C@@H](C)C[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587823230 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=C[C@]3(C=C12)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587823231 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C)[C@@H](CC[C@]3(O)[C@H](O)CO)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]32)N1 ZINC000587823319 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C)[C@@H](CC[C@]3(O)[C@H](O)CO)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]32)N1 ZINC000587823322 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C)[C@@H](CC[C@]3(O)[C@H](O)CO)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]32)N1 ZINC000587823325 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C)[C@@H](CC[C@]3(O)[C@H](O)CO)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]32)N1 ZINC000587823327 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587823862 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587823865 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587823868 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587823871 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587824067 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587824070 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587824072 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587824074 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587824149 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587824153 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587824156 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@@H]23)N1 ZINC000587824158 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@]1(C[C@](C)(O)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587824467 KJ Annotated Clean COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@]1(C[C@](C)(O)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587824470 KJ Annotated Clean COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@]1(C[C@](C)(O)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587824474 KJ Annotated Clean COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@]1(C[C@](C)(O)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587824478 KJ Annotated Clean CC(C)=CC[C@H](O)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587825306 KJ Annotated Mild CC(C)=CC[C@H](O)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587825307 KJ Annotated Mild CC(C)=CC[C@H](O)C1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587825308 KJ Annotated Mild CC(C)=CC[C@H](O)C1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587825309 KJ Annotated Mild COc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587825348 KJ Annotated Anodyne COc1cccc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587825349 KJ Annotated Anodyne COc1cccc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587825350 KJ Annotated Anodyne COc1cccc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587825351 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)N1 ZINC000587825663 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)N1 ZINC000587825664 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)N1 ZINC000587825665 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)N1 ZINC000587825666 KJ Annotated Anodyne COc1cccc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587825975 KJ Annotated Anodyne COc1cccc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587825976 KJ Annotated Anodyne COc1cccc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587825977 KJ Annotated Anodyne COc1cccc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587825978 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@]1(C[C@](C)(O)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826769 KJ Annotated Clean COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@]1(C[C@](C)(O)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826771 KJ Annotated Clean COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@]1(C[C@](C)(O)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826773 KJ Annotated Clean COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@]1(C[C@](C)(O)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826777 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(c2cc(C(=O)O)ccc2C(=O)O)N1 ZINC000587826857 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(c2cc(C(=O)O)ccc2C(=O)O)N1 ZINC000587826859 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(c2cc(C(=O)O)ccc2C(=O)O)N1 ZINC000587826861 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(c2cc(C(=O)O)ccc2C(=O)O)N1 ZINC000587826863 KJ Annotated Anodyne CC(C)=CC[C@H](O)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587827076 KJ Annotated Mild CC(C)=CC[C@H](O)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587827077 KJ Annotated Mild CC(C)=CC[C@H](O)C1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587827078 KJ Annotated Mild CC(C)=CC[C@H](O)C1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587827079 KJ Annotated Mild CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587827686 KJ Annotated Mild CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587827687 KJ Annotated Mild CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587827688 KJ Annotated Mild CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587827689 KJ Annotated Mild COc1cccc2c1C(=O)c1ccc3c(c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)C[C@](C)(O)C3 ZINC000587827755 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)C[C@](C)(O)C3 ZINC000587827756 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)C[C@](C)(O)C3 ZINC000587827757 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)C[C@](C)(O)C3 ZINC000587827758 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)N1 ZINC000587828077 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)N1 ZINC000587828078 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)N1 ZINC000587828079 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)N1 ZINC000587828080 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(c2cc(C(=O)O)ccc2C(=O)O)N1 ZINC000587829520 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(c2cc(C(=O)O)ccc2C(=O)O)N1 ZINC000587829521 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(c2cc(C(=O)O)ccc2C(=O)O)N1 ZINC000587829522 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(c2cc(C(=O)O)ccc2C(=O)O)N1 ZINC000587829524 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587829786 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587829790 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587829798 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587829802 KJ Annotated Clean COc1cccc2c1C(=O)c1ccc3c(c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)C[C@](C)(O)C3 ZINC000587829817 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)C[C@](C)(O)C3 ZINC000587829821 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)C[C@](C)(O)C3 ZINC000587829825 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587829826 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587829830 KJ Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)C[C@](C)(O)C3 ZINC000587829831 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587829834 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587829839 KJ Annotated Anodyne CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830020 KJ Annotated Mild CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830023 KJ Annotated Mild CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830028 KJ Annotated Mild CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830034 KJ Annotated Mild Cc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C1=C(O2)[C@H](O)Oc2ccccc21 ZINC000587830358 KJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C1=C(O2)[C@H](O)Oc2ccccc21 ZINC000587830365 KJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C1=C(O2)[C@@H](O)Oc2ccccc21 ZINC000587830368 KJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C1=C(O2)[C@@H](O)Oc2ccccc21 ZINC000587830371 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587830447 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587830448 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587830449 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587830450 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587830774 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587830776 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587830780 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587830783 KJ Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587831186 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587831191 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587831192 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587831194 KJ Annotated Anodyne CC(C)=CC[C@@H](O)C1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587831332 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587831335 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587831337 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587831339 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)([C@@H](O)c2ccc3c(c2)OCO3)N1 ZINC000587831751 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)([C@H](O)c2ccc3c(c2)OCO3)N1 ZINC000587831768 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)([C@@H](O)c2ccc3c(c2)OCO3)N1 ZINC000587831775 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)([C@H](O)c2ccc3c(c2)OCO3)N1 ZINC000587831782 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(O)cc1)O2 ZINC000587831813 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(O)cc1)O2 ZINC000587831814 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(O)cc1)O2 ZINC000587831818 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(O)cc1)O2 ZINC000587831822 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]3(C)CC2)N1 ZINC000587832755 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]3(C)CC2)N1 ZINC000587832759 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]3(C)CC2)N1 ZINC000587832763 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]3(C)CC2)N1 ZINC000587832766 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587832933 KJ Annotated Clean COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587832934 KJ Annotated Clean COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587832937 KJ Annotated Clean COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587832940 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)([C@@H](O)c2ccc3c(c2)OCO3)N1 ZINC000587833019 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)([C@H](O)c2ccc3c(c2)OCO3)N1 ZINC000587833020 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)([C@@H](O)c2ccc3c(c2)OCO3)N1 ZINC000587833021 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)([C@H](O)c2ccc3c(c2)OCO3)N1 ZINC000587833022 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]3(C)CC2)N1 ZINC000587833211 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]3(C)CC2)N1 ZINC000587833213 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]3(C)CC2)N1 ZINC000587833215 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]3(C)CC2)N1 ZINC000587833218 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587833263 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587833264 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587833266 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587833268 KJ Annotated Anodyne CC(C)=CC[C@@H](O)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587833381 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587833384 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587833388 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587833390 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833896 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833897 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833898 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833964 KJ Annotated Mild COc1cc2c(c(O)c1OC)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(O)cc1)O2 ZINC000587834051 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(O)cc1)O2 ZINC000587834054 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(O)cc1)O2 ZINC000587834057 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(O)cc1)O2 ZINC000587834061 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)N1 ZINC000587834157 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)N1 ZINC000587834158 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)N1 ZINC000587834159 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)N1 ZINC000587834160 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587834161 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587834162 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587834163 KJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587834164 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)N1 ZINC000587834463 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)N1 ZINC000587834464 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)N1 ZINC000587834465 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)N1 ZINC000587834466 KJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C1=C(O2)[C@H](O)Oc2ccccc21 ZINC000587835083 KJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C1=C(O2)[C@H](O)Oc2ccccc21 ZINC000587835084 KJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C1=C(O2)[C@@H](O)Oc2ccccc21 ZINC000587835085 KJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C1=C(O2)[C@@H](O)Oc2ccccc21 ZINC000587835086 KJ Annotated Clean COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587836062 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587836066 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587836069 KJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587836073 KJ Annotated Anodyne CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836229 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836230 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836231 KJ Annotated Mild CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836232 KJ Annotated Mild COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587836265 KJ Annotated Clean COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587836266 KJ Annotated Clean COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587836267 KJ Annotated Clean COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587836268 KJ Annotated Clean COc1cc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(O)c(OC)c3O)O2)ccc1O ZINC000587836544 KJ Annotated Clean COc1cc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(O)c(OC)c3O)O2)ccc1O ZINC000587836546 KJ Annotated Clean COc1cc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(O)c(OC)c3O)O2)ccc1O ZINC000587836547 KJ Annotated Clean COc1cc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(O)c(OC)c3O)O2)ccc1O ZINC000587836548 KJ Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O ZINC000587836605 KJ Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O ZINC000587836606 KJ Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O ZINC000587836607 KJ Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O ZINC000587836608 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32[C@@H](O)O4)N1 ZINC000587836733 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32[C@@H](O)O4)N1 ZINC000587836734 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32[C@@H](O)O4)N1 ZINC000587836735 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32[C@@H](O)O4)N1 ZINC000587836736 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587836791 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587836792 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587836793 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587836794 KJ Annotated Clean COc1c(O)cc2c(c1O)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(c1ccc(O)cc1)=CO2 ZINC000587836933 KJ Annotated Clean COc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(c1ccc(O)cc1)=CO2 ZINC000587836934 KJ Annotated Clean COc1c(O)cc2c(c1O)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(c1ccc(O)cc1)=CO2 ZINC000587836935 KJ Annotated Clean COc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(c1ccc(O)cc1)=CO2 ZINC000587836936 KJ Annotated Clean COc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(c1ccc(O)cc1)=CO2 ZINC000587837021 KJ Annotated Clean COc1c(O)cc2c(c1O)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(c1ccc(O)cc1)=CO2 ZINC000587837022 KJ Annotated Clean COc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(c1ccc(O)cc1)=CO2 ZINC000587837023 KJ Annotated Clean COc1c(O)cc2c(c1O)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(c1ccc(O)cc1)=CO2 ZINC000587837024 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)N1 ZINC000587837081 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)N1 ZINC000587837082 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)N1 ZINC000587837083 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)N1 ZINC000587837084 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)N1 ZINC000587837089 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)N1 ZINC000587837090 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)N1 ZINC000587837091 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)N1 ZINC000587837092 KJ Annotated Anodyne COc1cc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(O)c(OC)c3O)O2)ccc1O ZINC000587837295 KJ Annotated Clean COc1cc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(O)c(OC)c3O)O2)ccc1O ZINC000587837296 KJ Annotated Clean COc1cc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(O)c(OC)c3O)O2)ccc1O ZINC000587837297 KJ Annotated Clean COc1cc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(O)c(OC)c3O)O2)ccc1O ZINC000587837298 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32[C@@H](O)O4)N1 ZINC000587837331 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32[C@@H](O)O4)N1 ZINC000587837332 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32[C@@H](O)O4)N1 ZINC000587837333 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32[C@@H](O)O4)N1 ZINC000587837334 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587837467 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587837468 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587837469 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587837470 KJ Annotated Clean COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H]1CCO[C@@H]1O2 ZINC000587837487 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H]1CCO[C@@H]1O2 ZINC000587837488 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@@]41N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H]1CCO[C@@H]1O2 ZINC000587837489 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@@]41N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H]1CCO[C@@H]1O2 ZINC000587837490 KJ Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@]1(CO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837513 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@]1(CO)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837514 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@@]1(CO)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837515 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@@]1(CO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837516 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587837533 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587837534 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587837535 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587837536 KJ Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837736 KJ Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837738 KJ Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837739 KJ Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837740 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H]4O[C@@]423)N1 ZINC000587837867 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587837868 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H]4O[C@@]423)N1 ZINC000587837869 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587837871 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587837892 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587837896 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587837900 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587837903 KJ Annotated Clean C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@@]1(CO)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837929 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@]1(CO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837930 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@]1(CO)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837932 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)[C@@]1(CO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837933 KJ Annotated Mild COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587837950 KJ Annotated Clean COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587837951 KJ Annotated Clean COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587837952 KJ Annotated Clean COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587837955 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838009 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838013 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838014 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838015 KJ Annotated Clean CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838040 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838041 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838042 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838044 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)N1 ZINC000587838055 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)N1 ZINC000587838058 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)N1 ZINC000587838061 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)N1 ZINC000587838064 KJ Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1O ZINC000587838191 KJ Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1O ZINC000587838192 KJ Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1O ZINC000587838193 KJ Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1O ZINC000587838194 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838323 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838324 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838325 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838326 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587838364 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587838365 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587838366 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587838367 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587838585 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587838586 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587838587 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587838588 KJ Annotated Clean Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587838653 KJ Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587838654 KJ Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587838655 KJ Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587838656 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587838689 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587838690 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587838691 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587838692 KJ Annotated Reactive COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838731 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838732 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838733 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838734 KJ Annotated Clean C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587838763 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H]4O[C@@]423)N1 ZINC000587838764 KJ Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587838765 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H]4O[C@@]423)N1 ZINC000587838766 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H]1C=CO[C@@H]1O2 ZINC000587838787 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H]1C=CO[C@@H]1O2 ZINC000587838788 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@@]41N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H]1C=CO[C@@H]1O2 ZINC000587838789 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@@]41N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H]1C=CO[C@@H]1O2 ZINC000587838790 KJ Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587838791 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587838792 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587838793 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587838794 KJ Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587838936 KJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587838941 KJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587838942 KJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587838944 KJ Annotated Bother COc1ccc(S(=O)(=O)ON=C2C=C(C)C3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C)=C2)cc1 ZINC000587838998 KJ Annotated Mild COc1ccc(S(=O)(=O)ON=C2C=C(C)C3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C)=C2)cc1 ZINC000587838999 KJ Annotated Mild Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587839063 KJ Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587839072 KJ Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587839252 KJ Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587839253 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)N1 ZINC000587839361 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)N1 ZINC000587839362 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)N1 ZINC000587839363 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)N1 ZINC000587839365 KJ Annotated Anodyne COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839407 KJ Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839409 KJ Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839412 KJ Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839414 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587839510 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587839517 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587839519 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587839522 KJ Annotated Reactive COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587839556 KJ Annotated Clean COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587839558 KJ Annotated Clean COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587839560 KJ Annotated Clean COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587839562 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587839572 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587839575 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587839576 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587839579 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)N1 ZINC000587839796 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)N1 ZINC000587839799 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587839921 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587839928 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587839930 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587839932 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)N1 ZINC000587840024 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)N1 ZINC000587840025 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)N1 ZINC000587840026 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)N1 ZINC000587840027 KJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587840118 KJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587840119 KJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587840120 KJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000587840121 KJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)N1 ZINC000587840122 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)N1 ZINC000587840123 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)N1 ZINC000587840124 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)N1 ZINC000587840125 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587840244 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587840245 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587840246 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(OCC(=O)O)cc(O)c32)N1 ZINC000587840247 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@H]2C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587840290 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587840291 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587840292 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@H]2C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587840293 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840334 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840336 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840338 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840340 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587840424 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587840426 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587840427 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)N1 ZINC000587840428 KJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840504 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840505 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840506 KJ Annotated Clean COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840507 KJ Annotated Clean COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H]1C=CO[C@@H]1O2 ZINC000587840524 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H]1C=CO[C@@H]1O2 ZINC000587840525 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@@]41N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H]1C=CO[C@@H]1O2 ZINC000587840526 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@@]41N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H]1C=CO[C@@H]1O2 ZINC000587840527 KJ Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587840544 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587840545 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587840546 KJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587840547 KJ Annotated Mild COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H]1CCO[C@@H]1O2 ZINC000587840602 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H]1CCO[C@@H]1O2 ZINC000587840603 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@@]41N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H]1CCO[C@@H]1O2 ZINC000587840604 KJ Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CC[C@@]41N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H]1CCO[C@@H]1O2 ZINC000587840605 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587840704 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587840705 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587840707 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587840708 KJ Annotated Reactive CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840772 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840773 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840774 KJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840775 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587840882 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587840883 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587840884 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587840885 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587840898 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587840899 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587840900 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587840901 KJ Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587840902 KJ Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587840903 KJ Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587840904 KJ Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587840905 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](O)[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587841057 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](O)[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587841059 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](O)[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587841061 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](O)[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587841063 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)N1 ZINC000587841064 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)N1 ZINC000587841066 KJ Annotated Anodyne COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5[C@@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@@H]4O)cc3[C@H]2CO)ccc1O ZINC000587841248 KJ Annotated Clean COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5[C@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@@H]4O)cc3[C@H]2CO)ccc1O ZINC000587841249 KJ Annotated Clean COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5[C@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@@H]4O)cc3[C@H]2CO)ccc1O ZINC000587841250 KJ Annotated Clean COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5[C@@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@@H]4O)cc3[C@H]2CO)ccc1O ZINC000587841252 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587841499 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587841500 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587841501 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587841502 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](O)[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587841703 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](O)[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587841704 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](O)[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587841705 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](O)[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587841706 KJ Annotated Anodyne COc1ccc(S(=O)(=O)ON=C2C=C(C)C3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C)=C2)cc1 ZINC000587841836 KJ Annotated Mild COc1ccc(S(=O)(=O)ON=C2C=C(C)C3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C)=C2)cc1 ZINC000587841838 KJ Annotated Mild CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841868 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841871 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841873 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841876 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587842298 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587842301 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587842303 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587842304 KJ Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587842305 KJ Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587842306 KJ Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587842308 KJ Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587842310 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842358 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842360 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842362 KJ Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842363 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843073 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843076 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843078 KJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843081 KJ Annotated Reactive COC(=O)c1ccc2oc(SCC3=C[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)C(=O)CO3)nc2c1 ZINC000587843126 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)C(=O)CO3)nc2c1 ZINC000587843129 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)C(=O)CO3)nc2c1 ZINC000587843131 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)C(=O)CO3)nc2c1 ZINC000587843133 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)N1 ZINC000587843300 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)N1 ZINC000587843301 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)N1 ZINC000587843302 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)N1 ZINC000587843303 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587843457 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587843459 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587843462 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587843464 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@H]2C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587843695 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@H]2C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587843698 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587843699 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587843700 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844233 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844234 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844235 KJ Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844236 KJ Annotated Anodyne COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5[C@@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@@H]4O)cc3[C@H]2CO)ccc1O ZINC000587844297 KJ Annotated Clean COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5[C@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@@H]4O)cc3[C@H]2CO)ccc1O ZINC000587844300 KJ Annotated Clean COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5[C@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@@H]4O)cc3[C@H]2CO)ccc1O ZINC000587844302 KJ Annotated Clean COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5[C@@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@@H]4O)cc3[C@H]2CO)ccc1O ZINC000587844303 KJ Annotated Clean COC(=O)c1ccc2oc(SCC3=C[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)C(=O)CO3)nc2c1 ZINC000587844758 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)C(=O)CO3)nc2c1 ZINC000587844762 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)C(=O)CO3)nc2c1 ZINC000587844764 KJ Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)C(=O)CO3)nc2c1 ZINC000587844765 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587845470 KJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587845472 KJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587845473 KJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587845476 KJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)N1 ZINC000587845500 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)N1 ZINC000587845501 KJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)N1 ZINC000587845502 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)N1 ZINC000587845503 KJ Annotated Clean CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587845885 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587845888 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587845890 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587845891 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)N1 ZINC000587845948 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)N1 ZINC000587845952 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)N1 ZINC000587845955 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)=Cc3c([C@H]4Oc5cc(O)cc(O)c5C[C@H]4O)cc(O)c(O)c3C2=O)N1 ZINC000587845959 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587845990 KJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587845991 KJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)N1 ZINC000587846538 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)N1 ZINC000587846539 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)N1 ZINC000587846541 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)N1 ZINC000587846545 KJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846665 KJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846666 KJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846667 KJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846670 KJ Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587846962 KJ Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587846963 KJ Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587846964 KJ Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587846967 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587847082 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)N1 ZINC000587847083 KJ Annotated Clean COC(=O)c1ccc2oc(SCC3=CC(=O)[C@]4(CO3)N[C@@H](C)Cc3cc(Br)c(F)cc34)nc2c1 ZINC000587847165 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@@]4(CO3)N[C@@H](C)Cc3cc(Br)c(F)cc34)nc2c1 ZINC000587847168 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@]4(CO3)N[C@H](C)Cc3cc(Br)c(F)cc34)nc2c1 ZINC000587847170 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@@]4(CO3)N[C@H](C)Cc3cc(Br)c(F)cc34)nc2c1 ZINC000587847173 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@@]4(CO3)N[C@@H](C)Cc3ccc(F)c(Br)c34)nc2c1 ZINC000587847190 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@]4(CO3)N[C@@H](C)Cc3ccc(F)c(Br)c34)nc2c1 ZINC000587847191 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@@]4(CO3)N[C@H](C)Cc3ccc(F)c(Br)c34)nc2c1 ZINC000587847192 KJ Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@]4(CO3)N[C@H](C)Cc3ccc(F)c(Br)c34)nc2c1 ZINC000587847193 KJ Annotated Mild Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847371 KJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847372 KJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847373 KJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847374 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CSc3nncn3C)cc(Cl)cc12 ZINC000587847680 KJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CSc3nncn3C)cc(Cl)cc12 ZINC000587847682 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CSc3nncn3C)cc(Cl)cc12 ZINC000587847684 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CSc3nncn3C)cc(Cl)cc12 ZINC000587847686 KJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587848303 KJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587848307 KJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587848310 KJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587848313 KJ Annotated Unstable CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21)C4(C)C ZINC000587848434 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21)C4(C)C ZINC000587848441 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@]31N[C@@H](C)Cc2ccc(F)c(Br)c21)C4(C)C ZINC000587848445 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21)C4(C)C ZINC000587848446 KJ Annotated Reactive Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587848476 KJ Annotated Clean Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587848477 KJ Annotated Clean Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587848478 KJ Annotated Clean Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587848479 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CSc3nncn3C)cc(Cl)cc12 ZINC000587849100 KJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CSc3nncn3C)cc(Cl)cc12 ZINC000587849102 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CSc3nncn3C)cc(Cl)cc12 ZINC000587849104 KJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CSc3nncn3C)cc(Cl)cc12 ZINC000587849106 KJ Annotated Reactive Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587849127 KJ Annotated Clean Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587849132 KJ Annotated Clean Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587849135 KJ Annotated Clean Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587849139 KJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849202 KJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849203 KJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849204 KJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849205 KJ Annotated Unstable CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21)C4(C)C ZINC000587849378 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21)C4(C)C ZINC000587849382 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@]31N[C@@H](C)Cc2cc(Br)c(F)cc21)C4(C)C ZINC000587849386 KJ Annotated Reactive CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21)C4(C)C ZINC000587849390 KJ Annotated Reactive Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587849474 KJ Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587849475 KJ Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587849476 KJ Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587849477 KJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587849838 KJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587849839 KJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587849840 KJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587849841 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850010 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850011 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850012 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850013 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587850026 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587850027 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587850028 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587850029 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850097 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850100 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850103 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850105 KJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587850560 KJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587850561 KJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587850562 KJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587850563 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850640 KJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850642 KJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850644 KJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850646 KJ Annotated Unstable CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587851085 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587851086 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587851087 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587851281 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)O1 ZINC000587851947 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)O1 ZINC000587851948 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)O1 ZINC000587851949 KJ Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)O1 ZINC000587851950 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)N1 ZINC000587852956 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)N1 ZINC000587852957 KJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)N1 ZINC000587852958 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)N1 ZINC000587852959 KJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2ccccc2O)N1 ZINC000587853086 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2ccccc2O)N1 ZINC000587853100 KJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2ccccc2O)N1 ZINC000587853101 KJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2ccccc2O)N1 ZINC000587853102 KJ Annotated Mild COC(=O)C1CCN(c2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)CC1 ZINC000587853394 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)CC1 ZINC000587853395 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)CC1 ZINC000587853396 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)CC1 ZINC000587853397 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2cc(Br)cn2)n1 ZINC000587853671 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)N1 ZINC000587854216 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)N1 ZINC000587854217 KJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)N1 ZINC000587854218 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)N1 ZINC000587854220 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)CC1 ZINC000587854392 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)CC1 ZINC000587854393 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)CC1 ZINC000587854394 KJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)CC1 ZINC000587854395 KJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2ccccc2O)N1 ZINC000587854842 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2ccccc2O)N1 ZINC000587854845 KJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2ccccc2O)N1 ZINC000587854849 KJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(-c3nccs3)c2)(c2ccccc2O)N1 ZINC000587854853 KJ Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1 ZINC000587855177 KJ Annotated Anodyne COc1ccc(O)c([C@@]2(c3cc(C#N)c(=O)n(-c4nccs4)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587857259 KJ Annotated Mild COc1ccc(O)c([C@]2(c3cc(C#N)c(=O)n(-c4nccs4)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587857264 KJ Annotated Mild COc1ccc(O)c([C@@]2(c3cc(C#N)c(=O)n(-c4nccs4)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587857265 KJ Annotated Mild COc1ccc(O)c([C@]2(c3cc(C#N)c(=O)n(-c4nccs4)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587857266 KJ Annotated Mild COc1ccc(O)c([C@]2(c3cc(C#N)c(=O)n(-c4nccs4)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587857337 KJ Annotated Mild COc1ccc(O)c([C@@]2(c3cc(C#N)c(=O)n(-c4nccs4)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587857338 KJ Annotated Mild COc1ccc(O)c([C@]2(c3cc(C#N)c(=O)n(-c4nccs4)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587857339 KJ Annotated Mild COc1ccc(O)c([C@@]2(c3cc(C#N)c(=O)n(-c4nccs4)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587857340 KJ Annotated Mild CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587858811 KJ Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587858812 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587858814 KJ Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587858815 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(CCn2cc([N+](=O)[O-])cn2)n1CC ZINC000587858886 KJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN(S(=O)(=O)c2cn(CC)nc2C)C1 ZINC000587859621 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587859627 KJ Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587859629 KJ Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587859630 KJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587859631 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(CC)nc2C)C1 ZINC000587859632 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000587859757 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000587859758 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O ZINC000587859988 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O ZINC000587859990 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O ZINC000587860125 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000587860205 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000587860250 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(S(=O)(=O)NCCN(CC)CC)cc1 ZINC000587860409 KJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000587860556 KJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 ZINC000587860794 KJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cc(Br)c(N)n2)cc1 ZINC000587861896 KJ Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1I ZINC000587862516 KJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nnn(Cc2ccccc2)c1-c1cccnc1 ZINC000587863528 KJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000587863533 KJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC(C)C ZINC000587863704 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]nc(Br)c1Br ZINC000587864638 KJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000587864925 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 ZINC000587864954 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O ZINC000587865576 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000587866175 KJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC ZINC000587866190 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(Br)cc2)n1 ZINC000587866369 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccsc2c(=O)n1CCN1CCCC1 ZINC000587866442 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1c(=O)sc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000587866454 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2 ZINC000587866479 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000587866564 KJ Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587866582 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2cc(Br)cn2)c1 ZINC000587866587 KJ Annotated Anodyne CCOc1c(Br)cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC ZINC000587866674 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000587866747 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587866768 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1C[C@@H]1CCCO1 ZINC000587867010 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1C[C@H]1CCCO1 ZINC000587867011 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000587867044 KJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000587867071 KJ Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000587867214 KJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC ZINC000587867328 KJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000587867450 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000587867453 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000587867689 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2C ZINC000587868220 KJ Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000587868338 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc2nc(-c3ccc(Cl)cc3)cc(C)n2n1 ZINC000587868355 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000587868379 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587868556 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587868581 KJ Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587868583 KJ Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587868584 KJ Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587868586 KJ Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587868815 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587868816 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000587868840 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000587869096 KJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c([N+](=O)[O-])c1 ZINC000587869268 KJ Annotated Bother CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1-c1ccc(OC)cc1 ZINC000587869271 KJ Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1 ZINC000587869344 KJ Annotated Anodyne CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869375 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000587869505 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000587869588 KJ Annotated Bother CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cc2)cc1 ZINC000587869669 KJ Annotated Anodyne CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)ccc1N ZINC000587869687 KJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)c([N+](=O)[O-])c2)cc1 ZINC000587869884 KJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869986 KJ Annotated Bother CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cc(-c3cnn(C)c3C)nc21 ZINC000587869996 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000587870064 KJ Annotated Anodyne COc1ccc(-c2ccnc(SCC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)cc1 ZINC000587870237 KJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 ZINC000587870250 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2cc(C(F)(F)F)nn2C)n1CC ZINC000587870547 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000587870686 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587870864 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587870865 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2cc(C(F)(F)F)n(C)n2)n1CC ZINC000587870991 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2C ZINC000587871369 KJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC ZINC000587871623 KJ Annotated Bother CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)ccc1N ZINC000587871789 KJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)cc2)cc1 ZINC000587871790 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(CCn2nc(C)c(Br)c2C)n1CC ZINC000587871802 KJ Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)cc(-c3cnn(C)c3C)nc21 ZINC000587871931 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000587871995 KJ Annotated Anodyne COc1c(I)cc(Br)cc1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873054 KJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] ZINC000587873184 KJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000587873212 KJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000587873428 KJ Annotated Bother Nc1c(Br)cc(C(=O)CBr)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874545 KJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(CC(=O)OCC(=O)c2ccccc2)cc1 ZINC000587875279 KJ Annotated Mild CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875846 KJ Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(C(=O)O)c(Br)c1O ZINC000587876191 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c([N+](=O)[O-])c(Br)c1O ZINC000587876396 KJ Annotated Mild Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1Br ZINC000587876419 KJ Annotated Mild CCOC(=O)c1nn(C(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)c(OCC)c1C#N ZINC000587876493 KJ Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c(O)c1Br ZINC000587876528 KJ Annotated Mild CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)ccc1N ZINC000587876598 KJ Annotated Anodyne Nc1c(Br)cc(Br)c([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587876768 KJ Annotated Mild COC(=O)c1cc(Br)c(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587876794 KJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c(Br)c1O ZINC000587876823 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(Br)cc(Br)c1[N+](=O)[O-] ZINC000587876921 KJ Annotated Mild Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c1Br ZINC000587876938 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(O)c(Br)c1C(=O)O ZINC000587876991 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(O)c(Br)c1[N+](=O)[O-] ZINC000587877125 KJ Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c([N+](=O)[O-])c1Br ZINC000587877128 KJ Annotated Mild Cc1cc(Br)c(NC(=O)CCl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877267 KJ Annotated Reactive Cc1cc(Br)c(OCc2ccc(C(=O)NN)cc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878095 KJ Annotated Reactive CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)OCC)cc1Br ZINC000587878311 KJ Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587880852 KJ Annotated Mild NNC(=O)c1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000587881185 KJ Annotated Reactive COC(=O)c1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])o1 ZINC000587881334 KJ Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCCCO[C@@H]1CCCCO1 ZINC000587881438 KJ Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCCCO[C@H]1CCCCO1 ZINC000587881441 KJ Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2Br)CC1 ZINC000587881754 KJ Annotated Mild CC(C)(C)OC(=O)N1C[C@H](c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)[C@@H](C(=O)O)C1 ZINC000587881843 KJ Annotated Mild CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](C(C)=O)[C@H](C(=O)OCC)[C@@H]1c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882155 KJ Annotated Mild CCOC(=O)[C@H]1[C@@H](c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1C(C)=O ZINC000587882156 KJ Annotated Mild CCOC(=O)[C@H]1[C@H](c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1C(C)=O ZINC000587882157 KJ Annotated Mild CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](C(C)=O)[C@H](C(=O)OCC)[C@H]1c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882158 KJ Annotated Mild CC(C)(C)OC(=O)N1CCNC[C@@H]1c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882188 KJ Annotated Mild CC(C)(C)OC(=O)N1CCNC[C@H]1c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882189 KJ Annotated Mild CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882285 KJ Annotated Mild CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882286 KJ Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C[C@H]1C(=O)O ZINC000587882385 KJ Annotated Mild COc1cc(C=O)ccc1OCCOc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882390 KJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 ZINC000587882590 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000587882596 KJ Annotated Mild CCn1c(NCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O)nc2ccccc21 ZINC000587882611 KJ Annotated Mild CN(C[C@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O)C(=O)OC(C)(C)C ZINC000587882634 KJ Annotated Mild CN(C[C@@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O)C(=O)OC(C)(C)C ZINC000587882636 KJ Annotated Mild CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882674 KJ Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)[C@H]1CO1 ZINC000587883019 KJ Annotated Mild CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C[C@H]1C(=O)O ZINC000587883159 KJ Annotated Mild CCOC(=O)C1=C(C)N(CCCC(=O)OC)C(=O)N[C@@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883249 KJ Annotated Mild CCOC(=O)C1=C(C)N(CCCC(=O)OC)C(=O)N[C@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883250 KJ Annotated Mild COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883295 KJ Annotated Mild COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883296 KJ Annotated Mild COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883297 KJ Annotated Mild COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883298 KJ Annotated Mild Nc1nn2cc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)nc2c2ccccc12 ZINC000587883318 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccn(-c3cc(C(=O)O)ccn3)n2)cc1 ZINC000587883326 KJ Annotated Mild CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883432 KJ Annotated Mild Cc1nc(C)c2c(n1)N(Cc1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc1)C(=O)CC2 ZINC000587883521 KJ Annotated Mild COC(=O)CN(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883618 KJ Annotated Mild CC(C)(C)OC(=O)N1CCC(N)(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883709 KJ Annotated Mild CC(C)(C)OC(=O)NC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC(=O)C1 ZINC000587883793 KJ Annotated Mild CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883838 KJ Annotated Mild CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883839 KJ Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884001 KJ Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587884135 KJ Annotated Mild CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587884161 KJ Annotated Mild CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587884164 KJ Annotated Mild CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587884226 KJ Annotated Mild CC(C)(C)OC(=O)N[C@](C)(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884344 KJ Annotated Mild CC(C)(C)OC(=O)N[C@@](C)(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884347 KJ Annotated Mild CCOC(=O)CCC(=O)CCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884384 KJ Annotated Mild CC(C)(C)OC(=O)N1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1C(=O)O ZINC000587884419 KJ Annotated Mild CC(C)(C)OC(=O)N1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2[C@H]1C(=O)O ZINC000587884420 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)-c1cc(Br)ccc1[C@@]2(O)C(=O)O ZINC000587884496 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)-c1cc(Br)ccc1[C@]2(O)C(=O)O ZINC000587884497 KJ Annotated Mild CC(=O)O/N=C1C(=C2/C(=O)Nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)/Nc2ccccc2/1 ZINC000587884636 KJ Annotated Mild CC(=O)O/N=C1C(=C2\C(=O)Nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)/Nc2ccccc2/1 ZINC000587884640 KJ Annotated Mild NCCN[C@@H](c1ccc(Cl)cc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885105 KJ Annotated Mild NCCN[C@H](c1ccc(Cl)cc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885106 KJ Annotated Mild COc1ccc([C@@H](c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)N2CCNCC2)cc1 ZINC000587885112 KJ Annotated Mild COc1ccc([C@H](c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)N2CCNCC2)cc1 ZINC000587885113 KJ Annotated Mild O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c([N+](=O)[O-])n1)(C3)C2 ZINC000587885435 KJ Annotated Mild CC(C)(C)OC(=O)N1CCC(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000587885867 KJ Annotated Mild CC(C)(C)OC(=O)N1CC[C@H](COc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C=O)C1 ZINC000587885875 KJ Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H](COc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C=O)C1 ZINC000587885876 KJ Annotated Mild CC(C)COc1cc2oc(=O)c(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587885903 KJ Annotated Mild CCCCOc1cc2oc(=O)c(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886424 KJ Annotated Mild CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1 ZINC000587886513 KJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000587887406 KJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000587887407 KJ Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cncc1C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000587887816 KJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1NC(=O)C2=NOCC1CCCCC1 ZINC000587888021 KJ Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Br)c2nc1O ZINC000587888497 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2c(c1)C(=O)N/C(=C/Cl)N2 ZINC000587888655 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2c(c1)C(=O)N/C(=C\Cl)N2 ZINC000587888662 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc2c1N/C(=C\Cl)NC2=O ZINC000587888667 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc2c1N/C(=C/Cl)NC2=O ZINC000587888669 KJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(CO)cn(C(=O)OC(C)(C)C)c12 ZINC000587889043 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CNCc2cccc(Br)n2)n1 ZINC000587889867 KJ Annotated Mild C[C@H](NC(=O)/C(C#N)=C/c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1)c1ccccc1 ZINC000587890147 KJ Annotated Reactive C[C@H](NC(=O)/C(C#N)=C\c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1)c1ccccc1 ZINC000587890148 KJ Annotated Reactive Cc1c(Br)nc(Br)c(N)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890160 KJ Annotated Mild Nc1[nH]nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)o2)c1-c1ccc2c(c1)OCO2 ZINC000587890441 KJ Annotated Mild C[C@]1([N+](=O)[O-])C(Br)=C(Br)C(=O)C(Br)=C1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890566 KJ Annotated Mild C[C@@]1([N+](=O)[O-])C(Br)=C(Br)C(=O)C(Br)=C1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890567 KJ Annotated Mild C[C@]1([N+](=O)[O-])C(Br)=C(Br)C(=O)C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=C1Br ZINC000587890726 KJ Annotated Mild C[C@@]1([N+](=O)[O-])C(Br)=C(Br)C(=O)C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=C1Br ZINC000587890727 KJ Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc12 ZINC000587890787 KJ Annotated Mild Cc1cc(N2CCC[C@H](Br)C2=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890882 KJ Annotated Reactive Cc1cc(N2CCC[C@@H](Br)C2=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890883 KJ Annotated Reactive CC(C)(C)OC(=O)N1CCC(Cn2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2=O)CC1 ZINC000587891058 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(OC(F)(F)F)c1 ZINC000587891454 KJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl ZINC000587891469 KJ Annotated Unstable CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891474 KJ Annotated Mild CCN(CC)S(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891844 KJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891871 KJ Annotated Mild N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587891916 KJ Annotated Mild CCCCNS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891929 KJ Annotated Mild COC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587892001 KJ Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2nc1C(F)(F)F ZINC000587892039 KJ Annotated Mild CCOC(=O)c1c[nH]c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(OC(F)(F)F)cc2c1=O ZINC000587892058 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cc(S(=O)(=O)NCc2ccco2)c1 ZINC000587892149 KJ Annotated Mild CCCCNS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587892161 KJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1NC(=O)C(F)(F)F ZINC000587892280 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(F)(F)F ZINC000587892373 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c([N+](=O)[O-])ccc(Br)c1OC(F)F ZINC000587892568 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)n2cc(Br)cn2)cc1C(F)(F)F ZINC000587892755 KJ Annotated Mild CCS(=O)(=O)c1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc(C(F)F)n1 ZINC000587892864 KJ Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)cc1NC(=O)C(F)(F)F ZINC000587892964 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000587893002 KJ Annotated Mild COC(=O)c1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1NC(=O)C(F)(F)F ZINC000587893327 KJ Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(F)c2)C[C@H]1C(=O)O ZINC000587893808 KJ Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2F)C[C@H]1C(=O)O ZINC000587894130 KJ Annotated Mild Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3F)c3ccccc23)no1 ZINC000587894425 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(C=c2sc3nc4ccccc4n3c2=O)c1 ZINC000587894517 KJ Annotated Mild CC(C)(C)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(I)c(C(=O)O)c2o1 ZINC000587894792 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)c([N+](=O)[O-])c1Cl ZINC000587894813 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)c(OC(F)F)c1 ZINC000587894828 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(I)cn(S(=O)(=O)c3ccccc3)c2c1 ZINC000587894836 KJ Annotated Mild CC(C)(C)C(=O)Nc1cc(I)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894840 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)cc(I)n2S(=O)(=O)c1ccccc1 ZINC000587894858 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncc(C(F)(F)F)cc1I ZINC000587894889 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)c(I)c1 ZINC000587894922 KJ Annotated Reactive CCc1[nH]c2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1I ZINC000587894939 KJ Annotated Mild Nc1c(I)cc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894948 KJ Annotated Mild Nc1cc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1I ZINC000587894990 KJ Annotated Mild CC(C)(C)OC(=O)n1nc(I)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc21 ZINC000587895171 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 ZINC000587895187 KJ Annotated Mild Cc1cc(Br)c(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895193 KJ Annotated Unstable COC(OC)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587895228 KJ Annotated Mild O=C(O)CSc1nnc(-c2cccnc2)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895284 KJ Annotated Mild CC(C)(C)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(I)c(C=O)c2o1 ZINC000587895297 KJ Annotated Mild COc1cc(I)c(Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895321 KJ Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(I)cc1C(F)(F)F ZINC000587895323 KJ Annotated Mild Cc1ccc(S(=O)(=O)n2cc(I)c3nc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cnc32)cc1 ZINC000587895443 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nc(CO)cc(I)c1OCc1ccccc1 ZINC000587895507 KJ Annotated Mild C=CCn1c(S)nnc1[C@H](C)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895508 KJ Annotated Mild C=CCn1c(S)nnc1[C@@H](C)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895510 KJ Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)cc1I ZINC000587895591 KJ Annotated Mild Cc1cc(C)cc(N(CCC(=O)O)S(=O)(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1 ZINC000587895634 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]cc(I)c2c1Cl ZINC000587895656 KJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1Br ZINC000587895691 KJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)O)C3)nn2)cc1 ZINC000587895739 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)O)C3)nn2)cc1 ZINC000587895743 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)F)ccc1I ZINC000587895781 KJ Annotated Mild CC(C)(C)OC(=O)n1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(I)cnc21 ZINC000587895784 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)c(I)c(C(=O)O)n2S(=O)(=O)c1ccccc1 ZINC000587895787 KJ Annotated Mild Cc1ccc(S(=O)(=O)N(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)[C@H](C)CO)cc1 ZINC000587895799 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(S(=O)(=O)c2ccccc2)cc1Br ZINC000587895835 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]c2cc(Cl)c(I)cc2c1=O ZINC000587895845 KJ Annotated Mild COC(=O)c1cc(Cl)c(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895852 KJ Annotated Mild C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895884 KJ Annotated Mild C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895888 KJ Annotated Mild COc1cc(-c2cc(C)nc(S(C)(=O)=O)n2)c(Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895890 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1 ZINC000587895927 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 ZINC000587895971 KJ Annotated Mild O=Cc1cn(S(=O)(=O)c2ccccc2)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587896044 KJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1I ZINC000587896050 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)NCc2ccccn2)c2ccccc12 ZINC000587896252 KJ Annotated Mild Cc1ccc(S(=O)(=O)n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c3c(Cl)ncnc32)cc1 ZINC000587896610 KJ Annotated Mild Cc1ccc(S(=O)(=O)Oc2ncnc3c(F)cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc23)cc1 ZINC000587896873 KJ Annotated Mild Cn1c(C(=O)C(Cl)(Cl)Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1S(=O)(=O)Cl ZINC000587896943 KJ Annotated Unstable CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587897007 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)cc(Cl)n2S(=O)(=O)c1ccccc1 ZINC000587897024 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2ccn(S(=O)(=O)c3ccccc3)c2c(Cl)n1 ZINC000587897150 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cccc(Br)c3)CCC2)c1 ZINC000587897160 KJ Annotated Mild Nc1cc(S(=O)(=O)Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)ccc1Cl ZINC000587897163 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000587897175 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(S(=O)(=O)c2ccccc2)c2nccc(Cl)c12 ZINC000587897215 KJ Annotated Mild CSc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC(=O)OCc2ccccc2)n1 ZINC000587897226 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl ZINC000587897281 KJ Annotated Mild Cc1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587897299 KJ Annotated Mild CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897311 KJ Annotated Mild C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O ZINC000587897328 KJ Annotated Reactive C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O ZINC000587897329 KJ Annotated Reactive CCc1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587897364 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1 ZINC000587897525 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1 ZINC000587897526 KJ Annotated Mild COC(=O)c1sccc1N(C)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897532 KJ Annotated Mild CC(C)(C)OC(=O)N1CCN(Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)CC1 ZINC000587897787 KJ Annotated Mild CC(C)(C)OC(=O)NC1CCN(c2nc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)CC1 ZINC000587897820 KJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CC(=O)Nc2ccsc2C(=O)O)cc1 ZINC000587897885 KJ Annotated Mild CNc1ccc(Cl)c(CN(C)Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)n1 ZINC000587897893 KJ Annotated Mild N#CN=c1sc(C(=O)c2ccccc2)nn1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587898080 KJ Annotated Mild CC(C)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C1\SC(=S)NC1=O ZINC000587898192 KJ Annotated Mild CC(C)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C1/SC(=S)NC1=O ZINC000587898193 KJ Annotated Mild CCN1C(=O)/C(=C\c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(OC)c2O)SC1=S ZINC000587898428 KJ Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(/C=C2\SC(=S)NC2=O)cc1OC ZINC000587898469 KJ Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(/C=C2/SC(=S)NC2=O)cc1OC ZINC000587898470 KJ Annotated Mild CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587898670 KJ Annotated Mild COC(=O)c1sc2nc(-c3ccccn3)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1N ZINC000587898911 KJ Annotated Mild CCN1C(=O)/C(=C\c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O)SC1=S ZINC000587898999 KJ Annotated Mild CN(C)c1nc2cc(C(=O)O)sc2n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587899013 KJ Annotated Mild COc1ccc(-c2nnc(Br)s2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587899195 KJ Annotated Mild CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1O ZINC000587899254 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC000587903002 KJ Annotated Mild CCOC(=O)C1=C(C)N(CCCC(=O)OC)C(=O)N[C@@H]1c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 ZINC000587906841 KJ Annotated Mild CCOC(=O)C1=C(C)N(CCCC(=O)OC)C(=O)N[C@H]1c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 ZINC000587906842 KJ Annotated Mild COc1ccc(Cl)cc1C#CC1=C(Br)[C@](C)([N+](=O)[O-])C(Br)=C(Br)C1=O ZINC000587912113 KJ Annotated Mild COc1ccc(Cl)cc1C#CC1=C(Br)[C@@](C)([N+](=O)[O-])C(Br)=C(Br)C1=O ZINC000587912114 KJ Annotated Mild COc1ccc(Cl)cc1C#CC1=C(Br)C(=O)C(Br)=C(Br)[C@@]1(C)[N+](=O)[O-] ZINC000587912756 KJ Annotated Mild COc1ccc(Cl)cc1C#CC1=C(Br)C(=O)C(Br)=C(Br)[C@]1(C)[N+](=O)[O-] ZINC000587912757 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)n2cc(Br)cn2)cc1C(F)(F)F ZINC000587913675 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000587914047 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)nc1C ZINC000587915441 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(n1)c(I)cn2S(=O)(=O)c1ccc(C)cc1 ZINC000587917364 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(CO)cc(I)c1OCc1ccccc1 ZINC000587917445 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc2c1cc(I)n2S(=O)(=O)c1ccccc1 ZINC000587917490 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C(=O)OC(C)(C)C)c2ncc(I)cc12 ZINC000587917706 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)c(C(=O)O)c2oc(C(C)(C)C)nc12 ZINC000587918012 KJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1 ZINC000587919821 KJ Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(O)c(/C=N/NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)c1 ZINC000587919822 KJ Annotated Reactive CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1O ZINC000587920478 KJ Annotated Mild CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1O ZINC000587921474 KJ Annotated Mild CN(c1ccc(-c2csc(-c3ccccc3CN3C(=O)c4ccccc4C3=O)n2)cc1)S(C)(=O)=O ZINC000587923917 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 ZINC000587924584 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 ZINC000587924585 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924906 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924908 KJ Annotated Anodyne COc1ccc(CCCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1OC ZINC000587925191 KJ Annotated Anodyne COc1cc(C2(c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)CC2)ccc1C ZINC000587925920 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926048 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926049 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587926052 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926053 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587926054 KJ Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1OC ZINC000587926267 KJ Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1OC ZINC000587926268 KJ Annotated Anodyne COc1cc(C2(c3nc4c(N)nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc4[nH]3)CC2)ccc1C ZINC000587926510 KJ Annotated Anodyne COc1ccc(C[C@H](C)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1OC ZINC000587926771 KJ Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1OC ZINC000587926772 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587926798 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926799 KJ Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587927654 KJ Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587927655 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927762 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927766 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927927 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927931 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927933 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927934 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927936 KJ Annotated Anodyne COc1ccc(CCCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(OC)c1 ZINC000587928474 KJ Annotated Anodyne COc1ccc(/C=C/Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(OC)c1 ZINC000587929314 KJ Annotated Anodyne COc1ccc(/C=C\Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(OC)c1 ZINC000587929315 KJ Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587929487 KJ Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587929496 KJ Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587929500 KJ Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587929502 KJ Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587930737 KJ Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587930742 KJ Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587930744 KJ Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587930745 KJ Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587930995 KJ Annotated Anodyne COc1cccc([C@H](C)Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587931008 KJ Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587931940 KJ Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587931944 KJ Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934114 KJ Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934488 KJ Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587934633 KJ Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934906 KJ Annotated Mild CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OCC ZINC000587935052 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587935079 KJ Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccccc4Br)c3O)cc2Br)CC1 ZINC000587935335 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935613 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1OCC ZINC000587935683 KJ Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccc(N4CCN(C)CC4)c(Br)c3)c2O)cc1Br ZINC000587935775 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587936770 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587936802 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1OCC ZINC000587936804 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OCC ZINC000587936884 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OCC ZINC000587936910 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1OCC ZINC000587937073 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937333 KJ Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4cccc(Br)c4)c3O)cc2Br)CC1 ZINC000587937404 KJ Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587937723 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587937781 KJ Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587937936 KJ Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccc(Br)cc4)c3O)cc2Br)CC1 ZINC000587937998 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938064 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cnc3cc(Br)ccc3c2)c1OCC ZINC000587938798 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938875 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OCC ZINC000587939191 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OCC ZINC000587939199 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(Br)cnc2Br)c1OCC ZINC000587939222 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cnc3cc(Br)ccc3c2)c1OCC ZINC000587939237 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939398 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939400 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939411 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587939549 KJ Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939894 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cc(Cl)cc(Br)c2)c1OCC ZINC000587939958 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587940049 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587940050 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587940051 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587940052 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587940053 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cnc3cc(Br)ccc3c2)c1OCC ZINC000587940362 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OCC ZINC000587940434 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OCC ZINC000587940436 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1 ZINC000587940449 KJ Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940464 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587940553 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587941066 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941086 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OCC ZINC000587941230 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OCC ZINC000587941231 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941529 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941739 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cc(Cl)cc(Br)c2)c1OCC ZINC000587942008 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587942359 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587942360 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1 ZINC000587942362 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942460 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942462 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942464 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942465 KJ Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942466 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OCC ZINC000587943600 KJ Annotated Bother CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OCC ZINC000587943626 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OCC ZINC000587943897 KJ Annotated Bother CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cc(F)c(Br)cc2F)c1OCC ZINC000587943922 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cc(F)c(Br)cc2F)c1OCC ZINC000587943976 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OCC ZINC000587944451 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OCC ZINC000587944479 KJ Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587944510 KJ Annotated Mild COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccccc2OC)c1O ZINC000587944512 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1OCCc1ccccc1 ZINC000587944525 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(OC(C)(C)C)cc(C)c1O ZINC000587944593 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccccc2F)c1O ZINC000587944689 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1OC(C)(C)C ZINC000587944720 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(OC)cc2)c1O ZINC000587944817 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945040 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945056 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2nn(COc3ccccc3F)cc2Cl)c1OCC ZINC000587945066 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(F)cc2)c1O ZINC000587945067 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OCC ZINC000587945111 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1OCc1ccccc1 ZINC000587945273 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(Cc2ccccc2)c1O ZINC000587945306 KJ Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587945343 KJ Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587945344 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587945523 KJ Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587945526 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2cccc(OC)c2)c1O ZINC000587945547 KJ Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccccc2Br)c1O ZINC000587945549 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000587945768 KJ Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587945920 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945959 KJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2N(C)C(=O)OC)c1OCC ZINC000587946101 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2N(C)C(=O)OC)c1OCC ZINC000587946109 KJ Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587946210 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946212 KJ Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2nn(COc3ccccc3F)cc2Cl)c1OCC ZINC000587946261 KJ Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)CC2 ZINC000587946539 KJ Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)CC2 ZINC000587946540 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587946638 KJ Annotated Anodyne CCc1ccc(CC)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587946663 KJ Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2N(C)C(=O)OC)c1OCC ZINC000587946723 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccccc2)c1O ZINC000587946771 KJ Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587946781 KJ Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946794 KJ Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587946810 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(OC)ccc1OC(C)(C)C ZINC000587946827 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2cccc(F)c2)c1O ZINC000587946832 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(C)cc2c1CCCC2 ZINC000587946868 KJ Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(Cc2ccccc2)c1OC ZINC000587946890 KJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2N(C)C(=O)OC)c1OCC ZINC000587946911 KJ Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587948654 KJ Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587949142 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COC34CC5CC(CC(C5)C3)C4)nc1-2 ZINC000587950949 KJ Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]1)(C3)C2 ZINC000587951110 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587951397 KJ Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(N)nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc4[nH]1)(C3)C2 ZINC000587951684 KJ Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC1 ZINC000587951931 KJ Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC1 ZINC000587951932 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587952685 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000587952801 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(I)cc3[nH]2)cc1 ZINC000587952814 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000587952916 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587953141 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000587953142 KJ Annotated Mild COc1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2cc1F ZINC000587953147 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587953192 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587953200 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587953276 KJ Annotated Anodyne CC(=O)c1ccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2c1 ZINC000587953294 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000587953315 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587953316 KJ Annotated Anodyne COc1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2cc1C ZINC000587953317 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587953436 KJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)nc2c1 ZINC000587953456 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000587953600 KJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)nc2c1 ZINC000587953601 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587953605 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000587953645 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587953740 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000587953749 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587953784 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587953812 KJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2c1 ZINC000587953815 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000587953824 KJ Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587953851 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587953853 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(I)c3[nH]2)cc1 ZINC000587953910 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587953933 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587953956 KJ Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587953985 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587954008 KJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587954054 KJ Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587955364 KJ Annotated Anodyne CCc1ccc(C(=O)CCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587957020 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC4CC4)[nH]c3cc21 ZINC000587958905 KJ Annotated Anodyne CC[C@@]1(Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961437 KJ Annotated Anodyne CC[C@]1(Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961456 KJ Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587961550 KJ Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587965683 KJ Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587965688 KJ Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(/C=C/C=C/C(=O)O)nc3cc21 ZINC000587967439 KJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(/C=C/C=C\C(=O)O)nc3cc21 ZINC000587967447 KJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc12 ZINC000587970654 KJ Annotated Anodyne CC(=O)O[C@H]1C2=C(C(=O)C(OC(=O)c3ccc(Cl)cc3)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000059096959 KJ Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c(C(=O)c2ccccc2)n(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1N ZINC000059124874 KJ Annotated Mild O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)C2CC2)n(Cc2cc([N+](=O)[O-])ccc2F)c2ccc(C(F)(F)F)cc12 ZINC000059131852 KJ Annotated Mild CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F ZINC000059150307 KJ Annotated Mild CCc1cc2c(-c3ccc[nH]c3=O)c(/C(O)=N/S(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F ZINC000059150500 KJ Annotated Mild O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)C2CC2)n(Cc2cc([N+](=O)[O-])ccc2F)c2ccc(Cl)cc12 ZINC000059150884 KJ Annotated Mild Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000059151048 KJ Annotated Mild COC(=O)C1=NC2=C(OCc3ccccc3)C=C3N(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)C[C@H]4C[C@@]34C2=C1 ZINC000059154284 KJ Annotated Anodyne C/C=C1C(=C\C2=N[C@H](/C=C3\N=C(C[C@H]4NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C2C)\NC(=O)[C@@H]\1C ZINC000059206140 KJ Annotated Anodyne in-vitro C/C=C1C(=C\C2=N[C@@H](/C=C3\N=C(C[C@H]4NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C2C)\NC(=O)[C@@H]\1C ZINC000059206142 KJ Annotated Anodyne in-vitro C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CCCN(C(=O)[C@H](N)C(C)C)C2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000059228279 KJ Annotated Anodyne investigational 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@@]21OC(C)=O ZINC000059245720 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H](c1cc(OC)c2c(c1)OCO2)[C@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(=O)CCCCCCC ZINC000059371516 KJ Annotated Mild CCOC(=O)c1c(C[S@@](=O)c2ccc(F)c(F)c2)n(C)c2cc(Br)c(O)c(Cn3ccnc3C)c12 ZINC000059422427 KJ Annotated Clean CCOC(=O)c1c(C[S@](=O)c2ccc(F)c(F)c2)n(C)c2cc(Br)c(O)c(Cn3ccnc3C)c12 ZINC000059422429 KJ Annotated Clean COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059515153 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059515154 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059515155 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059515156 KJ Annotated Anodyne Cc1c(C(=O)N2CCOCC2)sc2nc(SCc3cccc([N+](=O)[O-])c3)n(CCc3ccccc3)c(=O)c12 ZINC000059524480 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)[C@H]1c1cn(C)c2ccccc12 ZINC000059524828 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)[C@H]1c1cn(C)c2ccccc12 ZINC000059524829 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059530951 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059530952 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059530953 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059530954 KJ Annotated Anodyne Cc1c(Cl)ccc(OC2CCN(C3CCN(S(=O)(=O)/N=C(\O)c4ccccc4)CC3)CC2)c1Cl ZINC000059533520 KJ Annotated Mild CCCCCNS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000059582980 KJ Annotated Anodyne C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@H]4COC(=O)C4)[C@]3(C)CC[C@@H]2[C@@]1(C)[C@H](CC(=O)OC)OC(C)=O ZINC000059657609 KJ Annotated Mild in-vitro C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@H]4COC(=O)C4)[C@]3(C)CC[C@H]2[C@@]1(C)[C@H](CC(=O)OC)OC(C)=O ZINC000059657612 KJ Annotated Mild in-vitro CC(=O)NCC(=O)N1CC[C@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1 ZINC000059778207 KJ Annotated Mild O=C(c1ccc(O)cc1O)[C@H]1[C@@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)cc1O ZINC000059779511 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]12C ZINC000059781948 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000059784735 KJ Annotated Anodyne CCCCN(CCCC)CCCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000059785707 KJ Annotated Bother CCCCN(CCCC)CCCNC(=O)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000059785708 KJ Annotated Bother O=C(NCc1ccc(C(F)(F)F)cc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000059785766 KJ Annotated Bother aggregator O=C(NCc1ccc(C(F)(F)F)cc1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000059785769 KJ Annotated Bother aggregator COC(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)[C@@H]1C(CCl)=C2[C@H](O)C[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000059925909 KJ Annotated Reactive CN1C(=O)[C@H]2C[C@@]3(Br)c4ccccc4N(OOSc4ccccc4)[C@H]3N2C(=O)[C@@H]1Cc1ccccc1 ZINC000059938845 KJ Annotated Reactive CN1C(=O)[C@@H]2C[C@@]3(Br)c4ccccc4N(OOSc4ccccc4)[C@H]3N2C(=O)[C@@H]1Cc1ccccc1 ZINC000059938847 KJ Annotated Reactive CC(=O)O[C@H]1[C@@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@@]12COCc1cc3c(cc12)OCO3 ZINC000006001976 KJ Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C[C@@H]2CC=CCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000006003495 KJ Annotated Mild C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C[C@@H](C)CC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000006003515 KJ Annotated Mild C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CCC(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000006003526 KJ Annotated Mild CCCCOP(=O)(OCCCC)[C@](NS(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000006004738 KJ Annotated Anodyne C=CCN(c1cc(OCc2ccccc2)c2c(c(C)cn2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])S(C)(=O)=O ZINC000006004779 KJ Annotated Mild C=CCN(C(=O)CNC(=O)C(F)(F)F)c1cc(OCc2ccccc2)c2c(c1)c(C)cn2S(=O)(=O)c1ccccc1 ZINC000006004780 KJ Annotated Mild COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2CN(C(=O)OCc3ccccc3)[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 ZINC000006004863 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000006005522 KJ Annotated Clean O=C1[C@@H](Cl)[C@@]2(CC(/C=C/c3ccccc3O)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009702 KJ Annotated Reactive O=C1[C@@H](Cl)[C@]2(CC(/C=C/c3ccccc3O)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009703 KJ Annotated Reactive O=C1[C@H](Cl)[C@@]2(CC(/C=C/c3ccccc3O)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009704 KJ Annotated Reactive O=C1[C@H](Cl)[C@]2(CC(/C=C/c3ccccc3O)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009705 KJ Annotated Reactive COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O ZINC000006009706 KJ Annotated Reactive COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O ZINC000006009707 KJ Annotated Reactive COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O ZINC000006009708 KJ Annotated Reactive COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O ZINC000006009709 KJ Annotated Reactive O=C1CS[C@]2(CC(/C=C/c3ccccc3O)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009727 KJ Annotated Anodyne O=C1CS[C@@]2(CC(/C=C/c3ccccc3O)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009728 KJ Annotated Anodyne C/C=C/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009748 KJ Annotated Anodyne C/C=C/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009749 KJ Annotated Anodyne CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009767 KJ Annotated Reactive CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009768 KJ Annotated Reactive CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009769 KJ Annotated Reactive CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009770 KJ Annotated Reactive COC(=O)/C=C(\S/C(=N\n1cc(C(=O)OC)c(C(=O)OC)c1-c1ccc(C)cc1)c1ccc(C)cc1)C(=O)OC ZINC000006018640 KJ Annotated Mild C[C@@H]1SC2(CCCCC2)N(NC(=O)CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)C1=O ZINC000006018726 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000006019593 KJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000006019595 KJ Annotated Anodyne C=CCOC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)[C@@H]1[C@H]2OC(C)(C)O[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006020089 KJ Annotated Mild CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1 ZINC000006040777 KJ Annotated Anodyne O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006041390 KJ Annotated Reactive Cc1ccc(S(=O)(=O)/N=C(\O)C2=C3SCCN3C(=O)N(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000006041425 KJ Annotated Mild COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCI)OCO2 ZINC000006041524 KJ Annotated Reactive COc1c(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc(Br)c1O ZINC000006136313 KJ Annotated Mild CCN(CC)c1ncc(N(CC)C(=O)c2ccsc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000060152398 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)C(=O)c2cccs2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000060152416 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc5cc6oc(C)cc(=O)c6c(O)c5c4OC)c2c1)O[C@@](C)(O)CC3=O ZINC000060179104 KJ Annotated Bother COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc5cc6oc(C)cc(=O)c6c(O)c5c4OC)c2c1)O[C@](C)(O)CC3=O ZINC000060179105 KJ Annotated Bother COc1cc2cc3c(c(O)c2c(O)c1-c1c(OC)cc2cc4c(c(O)c2c1O)C(=O)O[C@H](C)C4)C(=O)O[C@H](C)C3 ZINC000060184386 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000060247264 KJ Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccs1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326635 KJ Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccs1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326636 KJ Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326829 KJ Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326830 KJ Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nn2)c1 ZINC000061705179 KJ Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(C)CCCc1ccccc1 ZINC000061897181 KJ Annotated Anodyne COc1ccc(Br)c(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)c1 ZINC000061902702 KJ Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)on1 ZINC000061908744 KJ Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)on1 ZINC000061908745 KJ Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3cccs3)[C@H]3CC[C@@H](C2)N3CCOc2ccccc2)cc1 ZINC000061921172 KJ Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3cccs3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921656 KJ Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3cccs3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921657 KJ Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 ZINC000061921877 KJ Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 ZINC000061921878 KJ Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061922021 KJ Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061922022 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923017 KJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923022 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923093 KJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923098 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923152 KJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923155 KJ Annotated Anodyne CCc1cc(-c2nnn(CC[C@@H]3COCCO3)c2CC)cc(CC)c1-c1cn(Cc2ccccc2)nn1 ZINC000061923328 KJ Annotated Anodyne CCc1cc(-c2nnn(CC[C@H]3COCCO3)c2CC)cc(CC)c1-c1cn(Cc2ccccc2)nn1 ZINC000061923330 KJ Annotated Anodyne CCc1cc(-c2nnn(CC[C@@H]3COCCO3)c2CC)ccc1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000061923336 KJ Annotated Anodyne CCc1cc(-c2nnn(CC[C@H]3COCCO3)c2CC)ccc1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000061923338 KJ Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC(c3ccccc3)c3ccccc3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923379 KJ Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC(c3ccccc3)c3ccccc3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923382 KJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923515 KJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923516 KJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923532 KJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923535 KJ Annotated Anodyne COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000061923651 KJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923670 KJ Annotated Anodyne CCC/C=C/c1ccc(CN2[C@H](C(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000061923729 KJ Annotated Anodyne CCC/C=C/c1ccc(CN2[C@@H](C(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000061923730 KJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000061923774 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923792 KJ Annotated Anodyne COc1ccc([C@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000061923826 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923846 KJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923888 KJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923893 KJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000061923929 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923956 KJ Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000061924216 KJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4ccc(C)o4)c2C3=O)cc1OC ZINC000061924476 KJ Annotated Anodyne COCOc1ccc(-c2ncc(OCCN3CCCC3=O)nc2NC(=O)c2cc3ccccc3s2)cc1 ZINC000061926128 KJ Annotated Anodyne CCc1nc2c(OCc3ccc(C(=O)N(C)C)cc3)cccn2c1N(C)C(=O)Nc1ccccc1OC ZINC000061926211 KJ Annotated Anodyne CN1CCN(c2ccc(CNC(=O)[C@@H]3Cc4c(-c5ccccc5Oc5ccccc5)ccnc4O3)cc2)CC1 ZINC000061926616 KJ Annotated Clean CN1CCN(c2ccc(CNC(=O)[C@H]3Cc4c(-c5ccccc5Oc5ccccc5)ccnc4O3)cc2)CC1 ZINC000061926617 KJ Annotated Clean CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)Cc1ccc(OC)c(OC)c1 ZINC000061926809 KJ Annotated Anodyne COc1ccc([C@H](NC(=O)C2CCN(C/C=C/c3ccc(OC(C)=O)c(OC)c3)CC2)c2ccccn2)cc1 ZINC000061926862 KJ Annotated Anodyne COc1ccc([C@@H](NC(=O)C2CCN(C/C=C/c3ccc(OC(C)=O)c(OC)c3)CC2)c2ccccn2)cc1 ZINC000061926863 KJ Annotated Anodyne COc1cc(-c2cc(NC(C)=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)cc(OC)c1OC ZINC000061927561 KJ Annotated Anodyne COCCN(Cc1ccc(OC)cc1)c1c(C)nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn12 ZINC000061929437 KJ Annotated Anodyne COCCN(Cc1ccc(OC)cc1)c1c(C)nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn12 ZINC000061930117 KJ Annotated Anodyne C#CCN1C=CC(=O)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@H]1c1ccccc1Br ZINC000061936377 KJ Annotated Mild C#CCN1C=CC(=O)[C@@H](OC(=O)Nc2ccccc2Br)[C@H]1c1ccccc1Br ZINC000061936385 KJ Annotated Mild COc1ccc([C@H]2C=CC[C@@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccccc2F)cc1 ZINC000061945348 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946980 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946981 KJ Annotated Anodyne C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000061947006 KJ Annotated Anodyne C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000061947007 KJ Annotated Anodyne O=C(NCC1CC1)c1cccc2c1C(=O)c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1S2(=O)=O ZINC000061948761 KJ Annotated Anodyne C/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@@]42CCN([C@H]6[C@@H]2OC2(C)C)[C@H]13 ZINC000618006476 KJ Annotated Anodyne CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(Cl)cc2)CC1 ZINC000618008469 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(Cl)cc2)C1 ZINC000618008675 KJ Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@H](CC(=O)c2ccccc2)c2cc3ccccc3n2C)CC1 ZINC000618009326 KJ Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@@H](CC(=O)c2ccccc2)c2cc3ccccc3n2C)CC1 ZINC000618009328 KJ Annotated Reactive CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000618011684 KJ Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ccc(F)cc3F)c2)C1 ZINC000618011784 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000618011790 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000618011791 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000618011792 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000618011793 KJ Annotated Reactive Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)cc2)cc1 ZINC000618012452 KJ Annotated Reactive O=C(c1ccc(F)c(-n2cccn2)c1)N1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1 ZINC000618016800 KJ Annotated Anodyne O=C(CN1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1)N1c2ccccc2Sc2ccccc21 ZINC000618016853 KJ Annotated Anodyne O=C(CN1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1)N1c2ccccc2Sc2ccccc21 ZINC000618016860 KJ Annotated Anodyne CC(C)N1CCCN(S(C)(=O)=O)c2cc(Cl)ccc2CN(C(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000618017113 KJ Annotated Anodyne O=C1CCNC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C(=O)c2ccc(Cl)cc2)CCCCN1 ZINC000618017181 KJ Annotated Anodyne COc1ccc([C@H]2CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C[C@@H]2C(=O)NCCSSCCN(C)C)cc1 ZINC000618017186 KJ Annotated Reactive COc1ccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 ZINC000618017210 KJ Annotated Reactive COc1ccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 ZINC000618017212 KJ Annotated Reactive CC(=O)N(CC1CCCCC1)C[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1C(=O)NCCSSCCN(C)C ZINC000618017213 KJ Annotated Reactive CC(=O)N(CC1CCCCC1)C[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1C(=O)NCCSSCCN(C)C ZINC000618017217 KJ Annotated Reactive COc1cccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000618017274 KJ Annotated Reactive COc1cccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000618017275 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1Cc1cc(F)cc(F)c1 ZINC000618017276 KJ Annotated Reactive Cc1cccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000618017289 KJ Annotated Reactive Cc1cccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000618017290 KJ Annotated Reactive CC(=O)N1CCCN(CC(C)C)CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)Cc2ccccc21 ZINC000618017311 KJ Annotated Anodyne CC(=O)N1CCCN(CC(C)C)CCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)Cc2ccccc21 ZINC000618017314 KJ Annotated Anodyne COCC(=O)N1CCCCCCCCN(C(=O)c2nc(C)n(-c3ccc(OC)cc3)n2)Cc2ccccc21 ZINC000618017386 KJ Annotated Anodyne CN(C)CCSSCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1cc2ccccc2o1 ZINC000618017389 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1cc(F)cc(F)c1 ZINC000618017394 KJ Annotated Reactive Cc1cccc(-c2noc(CCC(=O)N3CCC4(CCCCc5ccccc5OCCCNC4=O)CC3)n2)c1 ZINC000618017426 KJ Annotated Anodyne COCC(=O)N1CCCCCCCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)Cc2ccccc21 ZINC000618017561 KJ Annotated Anodyne COCC(=O)N1CCCCCCCCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)Cc2ccccc21 ZINC000618017563 KJ Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C1 ZINC000618017576 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C1 ZINC000618017580 KJ Annotated Reactive Cc1ccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 ZINC000618017685 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1CC1CCCCC1 ZINC000618017724 KJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1Cc1cc(F)cc(F)c1 ZINC000618017731 KJ Annotated Reactive O=C(Nc1ccccc1)c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225106 KJ Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)Oc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1Cl ZINC000062260346 KJ Annotated Anodyne COC(=O)[C@@H](COC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000621430827 KJ Annotated Anodyne COC(=O)[C@H](COC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000621430828 KJ Annotated Anodyne COC(=O)[C@@H](COC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000621430829 KJ Annotated Anodyne COC(=O)[C@H](COC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000621430830 KJ Annotated Anodyne CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(C)=O)[C@@H](C(C)=O)[C@@H]4C(=O)O[C@@H](C[C@@H]12)[C@]43C ZINC000621430860 KJ Annotated Anodyne CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(C)=O)[C@@H](C(C)=O)[C@@H]4C(=O)O[C@H](C[C@@H]12)[C@]43C ZINC000621430861 KJ Annotated Anodyne CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(C)=O)[C@@H](C(C)=O)[C@@H]4C(=O)O[C@H](C[C@H]12)[C@]43C ZINC000621430862 KJ Annotated Anodyne CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(C)=O)[C@@H](C(C)=O)[C@@H]4C(=O)O[C@@H](C[C@H]12)[C@]43C ZINC000621430863 KJ Annotated Anodyne CO[C@@H](C[C@H]1CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O)O1)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]1C[C@H](OC)C[C@H](C)O1 ZINC000621430869 KJ Annotated Anodyne COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)/C(C#N)=C/C(C)(C)C)c3)n2)cc1 ZINC000621431710 KJ Annotated Reactive N=C(COc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](N(Cc2cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)nn2)C(=O)COc2ccc(Cl)cc2)CC1 ZINC000621432711 KJ Annotated Anodyne N=C(COc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](N(Cc2cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)C(=O)COc2ccc(Cl)cc2)CC1 ZINC000621432712 KJ Annotated Anodyne N=C(COc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](N(Cc2cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)nn2)C(=O)COc2ccc(Cl)cc2)CC1 ZINC000621432713 KJ Annotated Anodyne N=C(COc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](N(Cc2cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)nn2)C(=O)COc2ccc(Cl)cc2)CC1 ZINC000621432714 KJ Annotated Anodyne CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)c1 ZINC000621432784 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)[C@@H]1c1cn(C)c2ccccc12 ZINC000621441608 KJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)[C@@H]1c1cn(C)c2ccccc12 ZINC000621441609 KJ Annotated Anodyne COC(=O)c1cc(NC(=O)c2cccc3c2C(=O)N(c2ccc(Cl)cc2Cl)C3)cc(C(=O)OC)c1 ZINC000621476456 KJ Annotated Anodyne C#Cc1ccc(OCC(=O)N[C@@H]2CC[C@@H](NC(=O)COc3ccc(Cl)c(C4(C(F)(F)F)N=N4)c3)CC2)cc1 ZINC000621476467 KJ Annotated Mild COC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc(N3C(=O)c4cccc5c(Br)ccc(c45)C3=O)cc2)CC1 ZINC000621476568 KJ Annotated Anodyne CN(C)CCSSCCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1ccc(Cl)cn1 ZINC000621477513 KJ Annotated Reactive N#CC1=C(N)n2nc(-c3ccc(Cl)cc3)cc2N[C@@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000621477908 KJ Annotated Reactive N#CC1=C(N)n2nc(-c3ccc(Cl)cc3)cc2N[C@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000621477909 KJ Annotated Reactive NC(=O)[C@H](Cc1ccc(Nc2nc(CN3CCN(C(=O)CCC4CCCC4)CC3)cs2)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000621478119 KJ Annotated Anodyne COC(=O)CCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](OC(=O)N5CCN(c6cc7c(cc6F)c(=O)c(C(=O)O)cn7C6CC6)CC5)C4)O1)[C@@H](C3)C2 ZINC000621478148 KJ Annotated Reactive COc1ccc(-c2ccn(CC[C@](C)(C(=O)NC[C@@H]3CCC[C@]4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)S(C)(=O)=O)c(=O)c2)c(F)c1 ZINC000621478360 KJ Annotated Reactive COc1ccc(-c2ccn(CC[C@@](C)(C(=O)NC[C@@H]3CCC[C@]4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)S(C)(=O)=O)c(=O)c2)c(F)c1 ZINC000621478361 KJ Annotated Reactive COc1ccc(-c2ccn(CC[C@](C)(C(=O)NO[C@@H]3CCC[C@]4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)S(C)(=O)=O)c(=O)c2)c(F)c1 ZINC000621478505 KJ Annotated Reactive COc1ccc(-c2ccn(CC[C@@](C)(C(=O)NO[C@@H]3CCC[C@]4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)S(C)(=O)=O)c(=O)c2)c(F)c1 ZINC000621478506 KJ Annotated Reactive Cc1cc(OCc2noc(C[C@@H]3C=CCCC3)c2-c2cccnc2)ccc1C#CCOC(=O)NCCN1CCN(C)CC1 ZINC000621485664 KJ Annotated Mild Cc1cc(OCc2noc(C[C@H]3C=CCCC3)c2-c2cccnc2)ccc1C#CCOC(=O)NCCN1CCN(C)CC1 ZINC000621485665 KJ Annotated Mild COc1cccc([C@@H]2C[C@H](NC(=O)CCSSCCN(C)C)CN(S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000621485928 KJ Annotated Reactive COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@H](N)Cc4ccc(Cl)cc4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064235812 KJ Annotated Anodyne O=[N+]([O-])c1cccc(/C=N\Nc2nc(N/N=C\c3cccc([N+](=O)[O-])c3)nc(Nc3cccc4ccccc34)n2)c1 ZINC000064245464 KJ Annotated Mild O=[N+]([O-])c1cccc(/C=N\Nc2nc(N/N=C/c3cccc([N+](=O)[O-])c3)nc(Nc3cccc4ccccc34)n2)c1 ZINC000064245465 KJ Annotated Mild COC(=O)[C@H](COC(C)(C)C)NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@H]2c1ccc(Cl)cc1 ZINC000064251744 KJ Annotated Anodyne COc1ccc([C@@H]2COc3cc(O)c([C@@H](c4ccc(O)cc4O)[C@H](O)Cc4ccc(O)cc4)cc3C2)c(O)c1OC ZINC000064321286 KJ Annotated Anodyne COc1ccc([C@@H]2COc3cc(O)c([C@H](c4ccc(O)cc4O)[C@H](O)Cc4ccc(O)cc4)cc3C2)c(O)c1OC ZINC000064321289 KJ Annotated Anodyne COc1ccc([C@@H]2COc3cc(O)c([C@H](c4ccc(O)cc4O)[C@@H](O)Cc4ccc(O)cc4)cc3C2)c(O)c1OC ZINC000064321290 KJ Annotated Anodyne CC(=O)O[C@H]1CC(=O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5CO[C@H](O)C5)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000064321303 KJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(C[C@H](C)C(C)(C)O4)[C@](C)(O)[C@@H]32)C1 ZINC000064373105 KJ Annotated Anodyne COc1c(N2CCC[C@H](N(C)CCN3C(=O)/C(=N\Nc4ccccc4)c4ccccc43)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000064373344 KJ Annotated Mild C[C@@H](c1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12)N1CCCCC1 ZINC000064373401 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)[C@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000064373488 KJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]3C[C@@H]3O[C@@]4(C[C@H](C)C(C)(C)O4)[C@](C)(O)[C@@H]32)C1 ZINC000064379476 KJ Annotated Anodyne Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(Cc3nnc(Nc4ccccc4)s3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064453779 KJ Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4cc(OC)ccc4[nH]3)cc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000064453843 KJ Annotated Bother CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4cc(OC)ccc4[nH]3)cc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000064453846 KJ Annotated Bother Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(Cc3nnc(NCc4ccccc4)s3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064453997 KJ Annotated Anodyne Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(Cc3nnc(Nc4ccc(F)cc4)s3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064454236 KJ Annotated Anodyne Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(Cc3n[nH]c(=S)n3-c3ccc(F)cc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064454240 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064479701 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064479703 KJ Annotated Anodyne O=C(/C(=C\c1c(O)cc(O)cc1O)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000064479804 KJ Annotated Mild CCN1CCN(Cc2ccc(N(O)c3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1 ZINC000641718900 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064502284 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)SC[C@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000064510248 KJ Annotated Anodyne Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(OCCN(C)C)cc2n1-c1ccccc1 ZINC000064512128 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064512146 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2nc(NCCc3ccccc3)nc3c2CN(Cc2ccccc2)CC3)cc1 ZINC000064512232 KJ Annotated Anodyne CN(c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)S(=O)(=O)c1ccccc1 ZINC000064512968 KJ Annotated Anodyne CN(C)c1ccc([C@@H]2C(c3ccccc3)=NN(c3cccc(Cl)c3)C23C(=O)OC(C)(C)OC3=O)cc1 ZINC000064516434 KJ Annotated Anodyne CN(C)c1ccc([C@H]2C(c3ccccc3)=NN(c3cccc(Cl)c3)C23C(=O)OC(C)(C)OC3=O)cc1 ZINC000064516435 KJ Annotated Anodyne COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@@H](N)CC4CCCCC4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064526481 KJ Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC(C)C)C2=O)C(=O)c2cc(O)c(O)c(CC(C)C)c2C1=O ZINC000064527144 KJ Annotated Mild C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000064528044 KJ Annotated Anodyne COCCCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21 ZINC000064528283 KJ Annotated Anodyne Cc1cccc(S(=O)(=O)Nc2nc(NCCc3ccccc3)nc3c2CN(Cc2ccccc2)CC3)c1 ZINC000064528522 KJ Annotated Anodyne CN(Cc1ccc(C(F)(F)F)c(F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000064528525 KJ Annotated Anodyne O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)SCc1ccc(F)cc1)c1ccc(C(=O)N2CCN(CCO)CC2)cc1 ZINC000064532112 KJ Annotated Mild Cc1ccc(CS(=O)(=O)/C(=C/c2ccc(S(C)(=O)=O)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064532284 KJ Annotated Mild O=C(/C(=C\c1c(O)cc(O)cc1O)S(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000064532312 KJ Annotated Mild C/C(NNC(=S)N1CCc2cc(C(=O)O)ccc21)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 ZINC000064540058 KJ Annotated Anodyne C/C(NNC(=S)N1CCc2cc(C(=O)O)ccc21)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 ZINC000064540069 KJ Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NS(=O)(=O)CCCCCc2[nH]c3ccc(Cl)cc3c2CNC1=O ZINC000064540219 KJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(Br)c(Br)s3)CC2)nc1 ZINC000064548625 KJ Annotated Anodyne Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(-c3ccccc3)cc2)Cc2ccccc2)c1 ZINC000064549391 KJ Annotated Anodyne CCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C ZINC000064549618 KJ Annotated Mild O=C1c2ccccc2C(=O)C12[C@@H](c1cccc(Br)c1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000064549805 KJ Annotated Clean CC(C)(CNC(=O)C1(C(F)(F)F)CCC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064549868 KJ Annotated Anodyne O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000064549961 KJ Annotated Clean COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)C23C(=O)c2ccccc2C3=O)cc1 ZINC000064549980 KJ Annotated Clean O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000064550094 KJ Annotated Clean CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NC(=O)CC/C=C/Cc2[nH]c3ccc(Cl)cc3c2CNC1=O ZINC000064559080 KJ Annotated Anodyne COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064559546 KJ Annotated Anodyne COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064559547 KJ Annotated Anodyne COCCCNC(=O)COc1ccc2c(c1)c(CCc1ccccc1)c(-c1ccc(F)cc1F)c(=O)n2C ZINC000064559704 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064560003 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064560005 KJ Annotated Anodyne O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1Br)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000064560250 KJ Annotated Clean CCCCN1C(=N)N([C@@H](CCC)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000064560484 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064573191 KJ Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064573192 KJ Annotated Bother O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1 ZINC000064573266 KJ Annotated Anodyne O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000064573420 KJ Annotated Clean C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC(=O)O ZINC000064573469 KJ Annotated Mild COc1cc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000064573611 KJ Annotated Clean COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)C23C(=O)c2ccccc2C3=O)cc1OC ZINC000064573697 KJ Annotated Clean COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064581840 KJ Annotated Anodyne C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCCCC1 ZINC000064581853 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)O[C@H](C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000064585841 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)O[C@H](C)[C@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000064599933 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(O)c(O)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064600146 KJ Annotated Clean CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000064600537 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000064600538 KJ Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)O[C@@H](C)[C@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000064608297 KJ Annotated Anodyne CC[C@@H]1C(=O)N[C@H](CC2=N/C(=C\c3[nH]c(C[C@H]4NC(=O)[C@@H](C)[C@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)[C@@H]1C ZINC000064622603 KJ Annotated Anodyne in-vitro CC[C@@H]1[C@@H](Cc2[nH]c(/C=C3\N=C(C[C@H]4NC(=O)[C@@H](CC)[C@H]4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)[C@@H]1C ZINC000064622604 KJ Annotated Anodyne in-vitro COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064622688 KJ Annotated Anodyne COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=N\NC(=O)OC(C)(C)C)CC(C)C)oc12 ZINC000064623304 KJ Annotated Reactive COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064649465 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(C)n(C)n4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064649527 KJ Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000064652122 KJ Annotated Bother O=C(NCc1ccccc1C(F)(F)F)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000064652125 KJ Annotated Bother COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064664359 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064664543 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064696454 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CC4CC4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064708361 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064715206 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064728556 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064732243 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064734956 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CC4CC4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064754961 KJ Annotated Anodyne COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1CCC[C@H]1CN3)N=C[C@@H]1CCCN1C2=O ZINC000006716207 KJ Annotated Anodyne CC[C@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000006717780 KJ Annotated Anodyne CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1 ZINC000006733294 KJ Annotated Anodyne Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653662277 KJ Annotated Anodyne COc1cc(OCc2csc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653662278 KJ Annotated Mild Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653662289 KJ Annotated Anodyne COc1cc(OCc2csc(N3CCN(C4CCOCC4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653663537 KJ Annotated Anodyne COc1cc(OCc2csc(N3CCSCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653664898 KJ Annotated Anodyne COc1cc(OCc2csc(N3CCN(C)[C@@H](C)C3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665228 KJ Annotated Anodyne COc1cc(OCc2csc(N3CCN(C)[C@H](C)C3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665229 KJ Annotated Anodyne O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)N[C@@H]1CC[C@H](CN3CCCC3)CC1)C21CC1 ZINC000653667727 KJ Annotated Anodyne COc1cc(OCc2csc(N3CCC(N4CCOCC4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653668346 KJ Annotated Anodyne O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCCCCN1CCC[C@H]1F)C21CC1 ZINC000653668866 KJ Annotated Anodyne O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCCCCN1CCC[C@@H]1F)C21CC1 ZINC000653668867 KJ Annotated Anodyne O=C(c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1)N1CCCC1 ZINC000653668897 KJ Annotated Anodyne COCC1C[C@@H]2CC[C@H](C1)N2c1nc(O[C@H]2C[C@H]3C[C@H]2CN3)nc2sc(C(=O)N(C)C)c(-c3ccccc3)c12 ZINC000653668906 KJ Annotated Anodyne COCC1C[C@@H]2CC[C@H](C1)N2c1nc(O[C@@H]2C[C@H]3C[C@H]2CN3)nc2sc(C(=O)N(C)C)c(-c3ccccc3)c12 ZINC000653668907 KJ Annotated Anodyne COc1cc(OCc2csc(N3C[C@H](C)O[C@H](C)C3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653669374 KJ Annotated Anodyne CC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)cc1 ZINC000653671416 KJ Annotated Anodyne COC1C[C@@H]2CC[C@H](C1)N2c1nc(N2CCC[C@@H](C(N)=O)C2)nc2scc(-c3ccccc3Cl)c12 ZINC000653671430 KJ Annotated Anodyne O=S(=O)(Cc1nc2ccc(Cl)cc2s1)CS(=O)(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000653673697 KJ Annotated Anodyne O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)N[C@@H]1CC[C@@H](CN3CCCC3)CC1)C21CC1 ZINC000653673700 KJ Annotated Anodyne N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3)Cc1ccccc1 ZINC000653673713 KJ Annotated Anodyne CCc1sc(N2CCOCC2)nc1COc1cc(OC)cc2oc(-c3cn4nc(C)ccc4n3)cc12 ZINC000653674044 KJ Annotated Anodyne O=C(c1cc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2cn1)N1CC[C@@H]1F ZINC000653676853 KJ Annotated Anodyne O=C(c1cc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2cn1)N1CC[C@H]1F ZINC000653676854 KJ Annotated Anodyne Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653677674 KJ Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C)CCO)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653677683 KJ Annotated Anodyne COC1C[C@@H]2CC[C@H](C1)N2c1nc(N2CCC[C@@H](C(N)=O)C2)c2c(-c3ccccc3Cl)csc2n1 ZINC000653678369 KJ Annotated Anodyne Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653678780 KJ Annotated Anodyne Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653678781 KJ Annotated Anodyne COc1cc(OCc2csc(NCCCN3CCCC3=O)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679182 KJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653679380 KJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653679381 KJ Annotated Anodyne COc1cc(OCc2csc(N3CCN(c4cnccn4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653682139 KJ Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)NCCO)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653682153 KJ Annotated Anodyne COCCN(CCOC)c1nc(COc2cc(OC)cc3oc(-c4cn5nc(C)ccc5n4)cc23)cs1 ZINC000653682162 KJ Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(C6(O)CCOCC6)n5)cc(Cl)cc4o3)nc2s1 ZINC000653682167 KJ Annotated Anodyne NS(=O)(=O)c1ccc(-c2ccc(N(Cc3ccsc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)cc1 ZINC000653682386 KJ Annotated Anodyne Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653684755 KJ Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4CC(O)C4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653685721 KJ Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653686239 KJ Annotated Anodyne CN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCC(N5CCCCC5)CC4)cccc3nc21 ZINC000653686928 KJ Annotated Mild COc1cc(C(=O)NCCN(C)C)cc(OC)c1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1 ZINC000653686948 KJ Annotated Anodyne CCOC(=O)CC(=O)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653689013 KJ Annotated Reactive CCOC(=O)CC(=O)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653689014 KJ Annotated Reactive C[C@@H](O)[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692044 KJ Annotated Anodyne Oc1nc(SCCOc2ccc(Br)cc2)nc(Cn2nnc3ccccc32)c1I ZINC000653692783 KJ Annotated Anodyne Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 ZINC000653693445 KJ Annotated Anodyne CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)[C@@H]3CC[C@]12C ZINC000653693903 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCC3)cc21 ZINC000653695802 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCC3)cc21 ZINC000653695803 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCC3)cc21 ZINC000653695804 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(C)(=O)=O)cc21 ZINC000653695833 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(C)(=O)=O)cc21 ZINC000653695834 KJ Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1 ZINC000653695838 KJ Annotated Anodyne COC(=O)[C@@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1 ZINC000653695839 KJ Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1 ZINC000653695840 KJ Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1 ZINC000653695841 KJ Annotated Anodyne CCOC(=O)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653696848 KJ Annotated Reactive CCOC(=O)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653696849 KJ Annotated Reactive CCOC(=O)CC(=O)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653696896 KJ Annotated Anodyne CCOC(=O)CC(=O)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653696897 KJ Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNC(=O)c1cccs1 ZINC000653697807 KJ Annotated Reactive COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccnc(Br)c1 ZINC000653697855 KJ Annotated Reactive O=C(Cc1ccccc1)Nc1ccc(OC2CCN(c3ccc(NC(=O)Cc4ccccc4)nc3)CC2)nc1 ZINC000653699264 KJ Annotated Anodyne CC(C)n1cc(-c2cccc(C(F)(F)F)c2)c2sc(/C(N)=N/C3CCS(=O)(=O)CC3)cc2c1=O ZINC000653699435 KJ Annotated Mild CCOC(=O)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653699864 KJ Annotated Anodyne CCOC(=O)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653699865 KJ Annotated Anodyne O=C(CCl)Nn1c(S)nnc1COc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000653699883 KJ Annotated Reactive O=C(CCl)Nn1c(S)nnc1COc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000653699884 KJ Annotated Reactive COC(=O)[C@@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1)C(C)C ZINC000653699935 KJ Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1)C(C)C ZINC000653699936 KJ Annotated Anodyne COC(=O)[C@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1)C(C)C ZINC000653699937 KJ Annotated Anodyne COC(=O)[C@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1)C(C)C ZINC000653699938 KJ Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1)C(C)C ZINC000653699951 KJ Annotated Anodyne COC(=O)[C@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1)C(C)C ZINC000653699952 KJ Annotated Anodyne COC(=O)[C@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1)C(C)C ZINC000653699953 KJ Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1)C(C)C ZINC000653699954 KJ Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccnc(Cl)c1 ZINC000653700771 KJ Annotated Reactive COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccnc(Br)c1 ZINC000653700804 KJ Annotated Reactive COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653700809 KJ Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653700810 KJ Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653700811 KJ Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653700812 KJ Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1)C(C)C ZINC000653700860 KJ Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1)C(C)C ZINC000653700861 KJ Annotated Anodyne COC(=O)[C@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1)C(C)C ZINC000653700862 KJ Annotated Anodyne COC(=O)[C@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1)C(C)C ZINC000653700863 KJ Annotated Anodyne CCOc1cc(O)c2c(=O)c(OCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc2c1 ZINC000653701024 KJ Annotated Anodyne FC(F)(F)c1cc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)ccc1Br ZINC000653702413 KJ Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccncc1Br ZINC000653703181 KJ Annotated Reactive COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccncc1Br ZINC000653703193 KJ Annotated Reactive COc1cnc(Cl)cc1C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c12 ZINC000653703222 KJ Annotated Reactive COc1ccc(Cc2nc(SCc3ccc(C#N)cc3)nc(O)c2I)cc1OC ZINC000653705303 KJ Annotated Mild COc1cc(CSc2nc(O)c(I)c(Cc3ccc(OC)c(OC)c3)n2)cc(OC)c1 ZINC000653705322 KJ Annotated Anodyne COc1cnc(Cl)cc1C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c12 ZINC000653705996 KJ Annotated Reactive FC(F)(F)c1cc(-n2cc(CN3CCN(c4noc5ccccc45)CC3)nn2)ccc1Br ZINC000653706779 KJ Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2cccc(N(C)C)c2)C1 ZINC000653706812 KJ Annotated Mild CC1=C[C@]2(C)[C@H](O)CC[C@H](C)[C@@H]2[C@@H](/C=C(\C)C(=O)O)[C@@H]1/C(C)=C/C[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C ZINC000653708015 KJ Annotated Anodyne N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@@]12C(=O)c1cccc3cccc2c13 ZINC000653708733 KJ Annotated Reactive N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@]12C(=O)c1cccc3cccc2c13 ZINC000653708734 KJ Annotated Reactive CCCCCCCCCCCCCCN(CCO)C[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000653708739 KJ Annotated Mild CCCCCCCCCCCCCCN(CCO)C[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000653708740 KJ Annotated Mild C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000653709108 KJ Annotated Mild C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(O)cc2)C1 ZINC000653709144 KJ Annotated Mild CCOC(=O)/C=C/c1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000653710213 KJ Annotated Anodyne O=C1/C(=C/c2ccc(O)c(CN3CCCCC3)c2)CNC/C1=C\c1ccc(O)c(CN2CCCCC2)c1 ZINC000653710293 KJ Annotated Mild Cc1cc(F)ccc1-n1nc(NC(=O)C(C)(C)NC(=O)C2(C(F)(F)F)CC2)nc1-c1ccc(F)cc1 ZINC000653712891 KJ Annotated Anodyne COc1ccc(Cc2nc(SCc3ccccc3[N+](=O)[O-])nc(O)c2I)cc1OC ZINC000653714145 KJ Annotated Bother CCCCCCCCCCCCCCNCCNC[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000653714150 KJ Annotated Mild CCCCCCCCCCCCCCNCCNC[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000653714151 KJ Annotated Mild COc1cccc(CSc2nc(O)c(I)c(Cc3ccc(OC)c(OC)c3)n2)c1 ZINC000653714152 KJ Annotated Anodyne COc1ccc(Cc2nc(SCCOc3ccc(C)cc3)nc(O)c2I)cc1OC ZINC000653714200 KJ Annotated Anodyne CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@@H]3CCNCC3(F)F)c2n1 ZINC000653715040 KJ Annotated Anodyne O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000653716259 KJ Annotated Anodyne C=C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000653716927 KJ Annotated Mild C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(OC(=S)N(C)C)cc2)C1 ZINC000653717172 KJ Annotated Mild CCCCCC[C@@H]1CC(=O)CCC[C@H](O)CC(=O)C2=C(O)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)C[C@H]2/C=C(C)\C=C\C=C\C(=O)N1 ZINC000653717551 KJ Annotated Mild CCCCCC[C@@H]1CC(=O)CCC[C@H](O)CC(=O)C2=C(O)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@@H](C)O3)C[C@@H]2/C=C(C)\C=C\C=C\C(=O)N1 ZINC000653717552 KJ Annotated Mild CCCCCC[C@@H]1CC(=O)CCC[C@H](O)CC(=O)C2=C(O)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)C[C@@H]2/C=C(C)\C=C\C=C\C(=O)N1 ZINC000653717553 KJ Annotated Mild CC(=O)OCOC(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(OC(C)C)cc2)c2ccccc2c1O ZINC000653717563 KJ Annotated Anodyne CN(C)CC(=O)N1CCC2(CC1)C(=O)Nc1cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc12 ZINC000653717815 KJ Annotated Anodyne COc1ccc2nc(C)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1)O3 ZINC000653718787 KJ Annotated Anodyne Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c(O)cc2c1cc(C#N)n2CCO ZINC000653719621 KJ Annotated Mild Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCO ZINC000653719638 KJ Annotated Mild O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)[C@H](c3ccc(F)cc3)[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000653720233 KJ Annotated Reactive CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NS(C)(=O)=O ZINC000653720521 KJ Annotated Anodyne COc1cc2c(cc(C#N)n2CC(N)=O)c(C)c1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1 ZINC000653721440 KJ Annotated Mild O=C1/C(=N\Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 ZINC000653722060 KJ Annotated Mild COc1ccc(OC)c(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4ccc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5c4)C3=O)n2)c1 ZINC000653722063 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(/CCNC2=CC(=O)c3ccccc3C2=O)Nc2ccc(Cl)cc2)cc1 ZINC000653723533 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)SC2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000653724768 KJ Annotated Clean CCCS(=O)(=O)NNC(=O)/C(CCC=C(C)C)=C1\[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C ZINC000653725023 KJ Annotated Reactive Cc1cc(COc2cc(N3CCOCC3)n(C)c(=O)n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000653725350 KJ Annotated Anodyne Cn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653725353 KJ Annotated Anodyne Cn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(C#N)c2)nc1=O ZINC000653725388 KJ Annotated Mild COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(C)(C)/C(=N/NC(=N)N)CC2 ZINC000653725538 KJ Annotated Mild C[C@H]1C[C@H]2CCCN2[C@@H](CC(=O)C[C@@H]2N3CCC[C@@H]3C[C@H](C)[C@@]2(O)c2ccccc2)[C@]1(O)c1ccccc1 ZINC000653725558 KJ Annotated Anodyne C[C@@H]1C[C@@H]2CCCN2[C@H](CC(=O)C[C@H]2N3CCC[C@H]3C[C@@H](C)[C@]2(O)c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000653725559 KJ Annotated Anodyne Cc1ccn2c(C(=O)NCc3ccc(C(=O)N4CCN(c5nc(=O)c6cc(C(F)(F)F)cc([N+](=O)[O-])c6s5)CC4)cc3)c(C)nc2c1 ZINC000653727856 KJ Annotated Bother COc1ccccc1NC(=O)CSc1nnc(N=C2NC(=O)/C(=C/c3ccc(Cl)cc3)S2)s1 ZINC000653727883 KJ Annotated Mild O=C1/C(=N\Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)C(c2ccccc2)=NN1c1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000653728014 KJ Annotated Mild C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]3[C@@H](OS(C)(=O)=O)[C@]12OC3(C)C ZINC000653728112 KJ Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@@]2(C)[C@@H](OC(=O)C(=C)[C@@H]3CC[C@H](C)[C@@H]4CC(=O)C(C)=C4C3)C=C(C(C)=O)[C@@]2(O)C1 ZINC000653729307 KJ Annotated Mild O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1OCc1ccc(Cl)cc1 ZINC000653729578 KJ Annotated Reactive COc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4ccc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5c4)C3=O)n2)cc1 ZINC000653730583 KJ Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)Nc1nn[nH]n1 ZINC000653730613 KJ Annotated Anodyne Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@](O)(c3cccc(F)c3)c3ccc4nc(C)[nH]c4c3)c(Cl)c2)n1 ZINC000653730817 KJ Annotated Anodyne CCS(=O)(=O)NNC(=O)/C(CCC=C(C)C)=C1\[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C ZINC000653730870 KJ Annotated Reactive Cc1nc2ccc([C@@H](CNC(=O)c3c(Cl)cc(-n4cnc(CO)n4)cc3Cl)c3cccc(F)c3)cc2[nH]1 ZINC000653730895 KJ Annotated Anodyne COc1cc(/C=C2\CNC/C(=C\c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC ZINC000653735509 KJ Annotated Mild COc1ccc(-c2csc(N3N=C(COc4ccccc4)/C(=N/Nc4ccc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5c4)C3=O)n2)cc1 ZINC000653735566 KJ Annotated Mild Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c(O)cc2c1cc(C#N)n2Cc1cnn[nH]1 ZINC000653737432 KJ Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)CC(=O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653737486 KJ Annotated Anodyne CCCCc1c(C)nc2nc(SCc3nc4c(c(O)nc(=O)n4Cc4ccc(Cl)cc4)n3CC)nn2c1C ZINC000653739022 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NN ZINC000653742617 KJ Annotated Reactive Cc1ccc(S(=O)(=O)NC(CCNC2=CC(=O)c3ccccc3C2=O)=Nc2cccc(C(F)(F)F)c2)cc1 ZINC000653743721 KJ Annotated Mild Cc1ccc(S(=O)(=O)NC(CCNC2=CC(=O)c3ccccc3C2=O)=Nc2ccccc2I)cc1 ZINC000653743740 KJ Annotated Mild O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1C1(F)CNC1 ZINC000653743745 KJ Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1C1(F)CNC1 ZINC000653743746 KJ Annotated Anodyne COc1ccc(N=C(CCNC2=C(Br)C(=O)c3ccccc3C2=O)NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000653743765 KJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1C1=CCNCC1 ZINC000653746598 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1C1=CCNCC1 ZINC000653746605 KJ Annotated Anodyne O=S(=O)(Nc1nncs1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1C1=CCNCC1 ZINC000653746696 KJ Annotated Anodyne O=S(=O)(Nc1nncs1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1C1=CCNCC1 ZINC000653746697 KJ Annotated Anodyne COc1ccc(N=C(CCNC2=CC(=O)c3ccccc3C2=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000653746698 KJ Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653746702 KJ Annotated Anodyne O[C@@](CN1CCC(c2nc(-c3ccc(C(F)(F)F)cc3F)no2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653749339 KJ Annotated Anodyne O[C@](CN1CCC(c2nc(-c3ccc(C(F)(F)F)cc3F)no2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653749341 KJ Annotated Anodyne O[C@](CN1CCC(c2nnc(-c3cccc4ccccc34)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653749352 KJ Annotated Anodyne O[C@@](CN1CCC(c2nnc(-c3cccc4ccccc34)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653749354 KJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653750414 KJ Annotated Anodyne COCC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)cc1 ZINC000653750415 KJ Annotated Anodyne COc1c(OCCCCN(CCO)CCO)cc2oc3cc(OCCCCN(CCO)CCO)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000653756007 KJ Annotated Bother Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CC(O)C3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653757392 KJ Annotated Anodyne COc1cc2ncnc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)c2cc1OC ZINC000653758334 KJ Annotated Anodyne COCCN(C)S(=O)(=O)c1cnc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 ZINC000653758364 KJ Annotated Anodyne Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762251 KJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NC[C@H](O)CO)nc3)c2)cc(-c2ccc(Cl)c(F)c2)n1 ZINC000653762265 KJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NC[C@@H](O)CO)nc3)c2)cc(-c2ccc(Cl)c(F)c2)n1 ZINC000653762266 KJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CC[C@@H](O)C3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762405 KJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CC[C@H](O)C3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762406 KJ Annotated Anodyne Cc1ccc(NC(=O)C2=C(C(C)C)N=C3N=CNN3[C@@H]2c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000653764439 KJ Annotated Bother Cc1ccc(NC(=O)C2=C(C(C)C)N=C3N=CNN3[C@H]2c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000653764440 KJ Annotated Bother CC(C)C1=C(C(=O)Nc2ccccn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 ZINC000653764457 KJ Annotated Bother CC(C)C1=C(C(=O)Nc2ccccn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 ZINC000653764458 KJ Annotated Bother Cc1cc(S(=O)(=O)NCc2ccncc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653764978 KJ Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653764989 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=N1 ZINC000653765504 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=N1 ZINC000653765505 KJ Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccccn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=N1 ZINC000653765562 KJ Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccccn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=N1 ZINC000653765563 KJ Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccccn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N2NC=NC2=N1 ZINC000653765569 KJ Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccccn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N2NC=NC2=N1 ZINC000653765570 KJ Annotated Anodyne CC(=O)N1CCOC[C@@H]1COc1cc(Cl)c(-c2nnc(-c3cc(C)nc(NC(C)C)c3)s2)cc1F ZINC000653766930 KJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN[C@@H](C)C(=O)O)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653767500 KJ Annotated Anodyne CCc1c(CNC(=O)c2ccc(N)cc2)c(CC)c(CNC(=O)c2ccc(N)cc2)c(CC)c1CNC(=O)c1ccc(N)cc1 ZINC000653767602 KJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CN(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653768972 KJ Annotated Anodyne COc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653775387 KJ Annotated Anodyne COc1cc(OC[C@H]2CCCN2C(=O)OC(C)(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653775388 KJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCN(C)CC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775390 KJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCOCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775404 KJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NC[C@H](O)CO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653775427 KJ Annotated Anodyne CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(C(=O)N=c5cc[nH]cc5)cccc4c3)n2)c1 ZINC000653780349 KJ Annotated Anodyne COc1ccc(CNC(=O)CN(C(=O)c2cc3ccccc3[nH]2)[C@@H](C(=O)NC(C)(C)C)c2ccc(OC)cc2)cc1 ZINC000653780469 KJ Annotated Anodyne COc1ccc(CNC(=O)CN(C(=O)c2cc3ccccc3[nH]2)[C@H](C(=O)NC(C)(C)C)c2ccc(OC)cc2)cc1 ZINC000653780470 KJ Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2c(Br)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653780839 KJ Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653783766 KJ Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653783767 KJ Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653783768 KJ Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653783769 KJ Annotated Mild COc1cc(C(=O)c2sc3c(C)cccc3c2NC(=O)CI)cc(OC)c1OC ZINC000653784894 KJ Annotated Reactive CCCNCc1c(C(=O)N2CCC(C(=O)NCCC)CC2)n(Cc2ccc(OC)cc2)c2ccsc12 ZINC000653786094 KJ Annotated Anodyne O=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1CC1CC1 ZINC000653787331 KJ Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2ccnc(N3CCC4(CC3)CN[C@@H](C(=O)O)C4)c2)C(F)(F)F)n1 ZINC000653790394 KJ Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2ccnc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)c2)C(F)(F)F)n1 ZINC000653790399 KJ Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)cc[n+]1CC(=O)c1ccccc1 ZINC000653790451 KJ Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)cc[n+]1CC(=O)c1ccccc1 ZINC000653790456 KJ Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)cc[n+]1CC(=O)c1ccccc1 ZINC000653790459 KJ Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)cc[n+]1CC(=O)c1ccccc1 ZINC000653790462 KJ Annotated Mild O=C(NCCc1cc(Br)c(O)c(Br)c1)c1cn(CCc2cc(Br)c(O)c(Br)c2)nn1 ZINC000653790949 KJ Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)cc1OC(C)=O ZINC000653791959 KJ Annotated Anodyne Cc1cncn1-c1cc(C(=O)Nc2cccc(CNc3ccc4c(C(=O)N[C@@H](C)C(N)=O)n[nH]c4c3)c2)cc(C(F)(F)F)c1 ZINC000653792892 KJ Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccccc3)n2)cc1OC(C)=O ZINC000653793706 KJ Annotated Anodyne CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(-c5cccc([S@](=N)(=O)O)c5)nn4)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000653794418 KJ Annotated Bother COc1cc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(C)cc3)n2)ccc1OC(C)=O ZINC000653794474 KJ Annotated Anodyne COc1cc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccccc3)n2)ccc1OC(C)=O ZINC000653794505 KJ Annotated Anodyne COc1cc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)ccc1OC(C)=O ZINC000653794511 KJ Annotated Anodyne O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1CC(F)(F)C(F)(F)C(F)(F)F ZINC000653795300 KJ Annotated Mild CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N[C@H](c2cc3ccccc3nc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795603 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N[C@@H](c2cc3ccccc3nc2Cl)[C@H](C(=O)OCC)S1(=O)=O ZINC000653795604 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N[C@H](c2cc3ccccc3nc2Cl)[C@H](C(=O)OCC)S1(=O)=O ZINC000653795605 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N[C@@H](c2cc3ccccc3nc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795606 KJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2nc(SCCCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2-c2ccc(F)cc2)cc1 ZINC000653795760 KJ Annotated Clean CC(=O)Oc1ccc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(N)(=O)=O)cc3)n(-c3ccc(Br)cc3)n2)cc1OC(C)=O ZINC000653795817 KJ Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC(CCC(=O)O)CC3)nc(N)n2)C(F)(F)F)n1 ZINC000653798087 KJ Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccc(Br)cc4)c4ccccc43)[C@@H]12 ZINC000653799562 KJ Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccc(Br)cc4)c4ccccc43)[C@H]12 ZINC000653799563 KJ Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccc(Br)cc4)c4ccccc43)[C@H]12 ZINC000653799564 KJ Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccc(Br)cc4)c4ccccc43)[C@@H]12 ZINC000653799565 KJ Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)NCCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)cc1OC(C)=O ZINC000653799580 KJ Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccc5ccccc5c4)c4ccccc43)[C@@H]12 ZINC000653801629 KJ Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccc5ccccc5c4)c4ccccc43)[C@H]12 ZINC000653801630 KJ Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccc5ccccc5c4)c4ccccc43)[C@H]12 ZINC000653801631 KJ Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccc5ccccc5c4)c4ccccc43)[C@@H]12 ZINC000653801632 KJ Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccccc4Br)c4ccccc43)[C@@H]12 ZINC000653802061 KJ Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccccc4Br)c4ccccc43)[C@H]12 ZINC000653802062 KJ Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccccc4Br)c4ccccc43)[C@@H]12 ZINC000653802063 KJ Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccccc4Br)c4ccccc43)[C@H]12 ZINC000653802064 KJ Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccc(Br)cc4)c4ccccc43)[C@@H]12 ZINC000653802074 KJ Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccc(Br)cc4)c4ccccc43)[C@H]12 ZINC000653802075 KJ Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccc(Br)cc4)c4ccccc43)[C@@H]12 ZINC000653802076 KJ Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccc(Br)cc4)c4ccccc43)[C@H]12 ZINC000653802077 KJ Annotated Anodyne CCCCC(=O)NC1(CC(=O)NNc2ccccc2)CCN(C(=O)/C=C/C(=C/c2ccc3c(c2)OCO3)CC)CC1 ZINC000653803613 KJ Annotated Reactive Nc1nc(C(=O)NCc2cccc3cc(C(=O)NCCCCCc4ccccc4)cnc23)c2cccc(F)c2n1 ZINC000653803754 KJ Annotated Anodyne CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4cc(N)ncc4Cl)sc23)c1 ZINC000653806319 KJ Annotated Anodyne CC[C@H]1c2cccc(-c3ccccc3)c2CCN1C(=O)C(=O)c1c[nH]c2c(-n3cnc(C)n3)ncc(OC)c12 ZINC000653808347 KJ Annotated Anodyne CC[C@@H]1c2cccc(-c3ccccc3)c2CCN1C(=O)C(=O)c1c[nH]c2c(-n3cnc(C)n3)ncc(OC)c12 ZINC000653808349 KJ Annotated Anodyne COc1cc(C(=O)c2sc3ccccc3c2NC(=O)CI)cc(OC)c1OC ZINC000653808351 KJ Annotated Reactive Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@@H](C(=O)O)C4)nc(C)n2)C(F)(F)F)n1 ZINC000653809984 KJ Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(C)n2)C(F)(F)F)n1 ZINC000653809986 KJ Annotated Anodyne C/C(=N\Nc1ccc(C(N)=S)cc1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2ccc(C(N)=S)cc2)c1O ZINC000653810063 KJ Annotated Mild COc1cc(C(=O)c2sc3cc(C)ccc3c2NC(=O)CI)cc(OC)c1OC ZINC000653810088 KJ Annotated Reactive CCCNCc1cc2c(cc(C(=O)N3CCC(C(=O)NCCC)CC3)n2Cc2ccc(OC)cc2)s1 ZINC000653811081 KJ Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)N(C)c3ccccc3)c(OC)c2)cc1OC ZINC000653813360 KJ Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3cccc(C#N)c3)c(OC)c2)cc1OC ZINC000653816960 KJ Annotated Mild C[C@](O)(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653817147 KJ Annotated Mild C[C@@](O)(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653817148 KJ Annotated Mild C[C@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000653817192 KJ Annotated Mild C[C@@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000653817193 KJ Annotated Mild C[C@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653817199 KJ Annotated Mild C[C@@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653817200 KJ Annotated Mild CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)Cc4ccc([N+](=O)[O-])c(O)c4)cc3)oc12 ZINC000653818550 KJ Annotated Bother CC(C)C[C@@](O)(c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1 ZINC000653819695 KJ Annotated Anodyne CC(C)C[C@](O)(c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1 ZINC000653819696 KJ Annotated Anodyne CC(C)O[C@@H](c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1 ZINC000653820979 KJ Annotated Anodyne CC(C)O[C@H](c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1 ZINC000653820983 KJ Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(Cc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821631 KJ Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(Cc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821632 KJ Annotated Anodyne C[C@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000653822664 KJ Annotated Mild C[C@@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000653822665 KJ Annotated Mild C[C@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000653822674 KJ Annotated Mild C[C@@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000653822675 KJ Annotated Mild CC(=O)OCC[C@@]1(C)[C@H](C2=C[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000653823119 KJ Annotated Mild COc1cc([C@H]2C3=C(COC3=O)N(CCc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823254 KJ Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(CCc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823255 KJ Annotated Anodyne O=C(NCc1ccccn1)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653823304 KJ Annotated Anodyne CCCCCCCCCCOc1cc2c(=O)c(C(=O)N3CCOCC3)cn(S(=O)(=O)C3CC3)c2cc1OCC ZINC000653823336 KJ Annotated Mild CO/N=C(\F)c1cc(/C(=C\CCCN2CCOC2=O)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000653825383 KJ Annotated Mild CNC(=O)c1ccc2c(c1)nc(-c1cc[nH]n1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653825399 KJ Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2 ZINC000653826090 KJ Annotated Mild CN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)[C@](O)(c4ccccc4)C(F)(F)F)CC3)CC2)cc1Cl ZINC000653830109 KJ Annotated Anodyne N[C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000653834583 KJ Annotated Anodyne COc1ccc(C(=O)n2c(C)c(-c3cn(C(C)=O)c4ccccc34)c(=O)n2C(=O)c2ccc(OC)cc2)cc1 ZINC000653834941 KJ Annotated Anodyne NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccccc4)N=C3c3ccc(Cl)cc3)cs2)cc1 ZINC000653834956 KJ Annotated Anodyne NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1 ZINC000653834988 KJ Annotated Anodyne CN(C)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(Nc3csc(Nc4ccc(S(N)(=O)=O)cc4)n3)C2=O)cc1 ZINC000653835002 KJ Annotated Clean COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NC(C)C)CO1)C(c1ccccc1)c1ccccc1 ZINC000653835470 KJ Annotated Anodyne CO/N=C(\Cl)c1cc(/C(=C\CCCN2CCOC2=O)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000653835893 KJ Annotated Mild C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(C)C(=O)O[C@]13[C@H]2CC1=C2[C@@H]3C([C@H](C)C(=O)OC)=C(O)C(=O)[C@@]2(C)[C@@H]2C[C@H]12 ZINC000653836236 KJ Annotated Mild C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(C)C(=O)O[C@]13[C@H]2CC1=C2[C@@H]3C([C@@H](C)C(=O)OC)=C(O)C(=O)[C@@]2(C)[C@@H]2C[C@H]12 ZINC000653836237 KJ Annotated Mild N[C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837901 KJ Annotated Anodyne COC(=O)N[C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837914 KJ Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ccccc34)[C@H]21 ZINC000653838755 KJ Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ccccc34)[C@@H]21 ZINC000653838759 KJ Annotated Clean COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCC(=O)OCc3ccc(F)cc3)nn1)CC2 ZINC000653841618 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCC(=O)OCc3cccc(F)c3)nn1)CC2 ZINC000653841633 KJ Annotated Anodyne COc1ccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c(C)n1 ZINC000653842109 KJ Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(=O)O)c1=O ZINC000653842138 KJ Annotated Anodyne COc1ccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c(OC)n1 ZINC000653842157 KJ Annotated Anodyne C[C@H](c1nc2ccc(C(=O)N[C@H](C#N)CCCCN)cc2n1C)N1C(=O)CN(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000653843488 KJ Annotated Mild CCCCCCCO[C@H]1C[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](OCCCCCCC)[C@H]2OCCCCCCC)O[C@@H]1CN ZINC000653843497 KJ Annotated Mild N=C(NCc1c(Oc2ccccc2C(F)(F)F)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1 ZINC000653843537 KJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2ncccc2F)C3=O)cc1 ZINC000653843964 KJ Annotated Anodyne CCOC(=O)[C@H](CCCCN)NCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000653845069 KJ Annotated Clean O=C(Cn1cc(COc2nc(-c3ccccc3)nc3nc(C(F)(F)F)ccc23)nn1)Nc1ccccc1 ZINC000653845076 KJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2cncc(C#N)c2)C3=O)cc1 ZINC000653845392 KJ Annotated Mild COc1cc(-n2cc(COc3nc(-c4ccccc4)nc4nc(C(F)(F)F)ccc34)nn2)cc(OC)c1OC ZINC000653845459 KJ Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)N[C@H](C#N)CCCCN)cc2n1C)N1C(=O)CN(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000653846510 KJ Annotated Mild COc1cc(CN2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)ccn1 ZINC000653847507 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2Nc2c(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c2=O)cc1 ZINC000653847600 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCC(=O)OCc3ccccc3)nn1)CC2 ZINC000653847668 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCC(=O)OCc3ccccc3F)nn1)CC2 ZINC000653848723 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(COC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)nn1)CC2 ZINC000653848899 KJ Annotated Anodyne COc1ccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)nc1C ZINC000653850085 KJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cn([C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)nn1 ZINC000653850788 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)nn1)CC2 ZINC000653850813 KJ Annotated Anodyne CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c3ccn(S(=O)(=O)C4CCCCC4)c3n2)CC1 ZINC000653851970 KJ Annotated Anodyne COc1nccc(C)c1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653852916 KJ Annotated Anodyne Cc1cnc(C#N)c(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c1 ZINC000653852933 KJ Annotated Mild COc1ncc(C)cc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653852937 KJ Annotated Anodyne COc1cncc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c1C ZINC000653852974 KJ Annotated Anodyne COc1ncccc1CN1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653853268 KJ Annotated Anodyne COc1ccc(CN2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)cn1 ZINC000653853277 KJ Annotated Anodyne COc1cncc(CN2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c1 ZINC000653853303 KJ Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccco2)ccc1OCc1cn(CCOc2cc(=O)oc3ccccc23)nn1 ZINC000653853419 KJ Annotated Mild COC(=O)c1ccccc1NC(=O)Cn1c(CCC2CCCCC2)c(Cl)nc(NC(=O)NC(C)(C)C)c1=O ZINC000653854044 KJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6C(=O)C(=O)c7cc(F)ccc76)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653859549 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(s2)CCN(c2ccc(Cl)c(-c4nc5ccccc5n4C)c2)C3)CC1 ZINC000653861032 KJ Annotated Anodyne COc1cc(OC)cc(C(=O)O[C@H]2c3cc(OC)c(OC)c(OC)c3-c3c(cc4c(c3OC)OCO4)C[C@H](C)[C@]2(C)O)c1 ZINC000653861036 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(C#N)cc1 ZINC000653861123 KJ Annotated Mild COc1cc2nc(NCCC3CCOCC3)cc(Nc3cnc(OCCN(C)C)c(F)c3)c2cc1OC ZINC000653861182 KJ Annotated Anodyne C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(-n5cc(Cc6ccccc6)nn5)c4s3)CC2)O1 ZINC000653861894 KJ Annotated Anodyne CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@H]1C=CCO[C@@H]1CO[P@](=O)(O)OC[C@H](N)C(=O)O ZINC000653862809 KJ Annotated Mild CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@@H]1C=CCO[C@@H]1CO[P@](=O)(O)OC[C@H](N)C(=O)O ZINC000653862811 KJ Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccoc1 ZINC000653864087 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000653864090 KJ Annotated Bother COc1cccc(C(=O)O[C@H]2c3cc(OC)c(OC)c(OC)c3-c3c(cc4c(c3OC)OCO4)C[C@H](C)[C@]2(C)O)c1 ZINC000653866649 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000653866662 KJ Annotated Bother C[C@@H](c1ccccc1)N(CC(N)=O)C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(C(=O)CN(C(=O)CNCCCCN)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000653869566 KJ Annotated Anodyne Cn1ccnc1/C=C1/C(=O)Nc2ccc(NC(=O)[C@H](NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)cc21 ZINC000653872521 KJ Annotated Clean O=C1Nc2ccc(NC(=O)[C@H](NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)cc2/C1=C/c1ncc[nH]1 ZINC000653873025 KJ Annotated Anodyne CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(/N=C(\C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1N ZINC000653874490 KJ Annotated Mild NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1 ZINC000653878453 KJ Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1cc(-c3ccc(Br)cc3)[nH]n1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653882254 KJ Annotated Mild O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653886946 KJ Annotated Anodyne Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccc(Cl)cc1Cl ZINC000653887515 KJ Annotated Reactive CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@H]1OCC=C[C@@H]1O[P@](=O)(O)OC[C@H](N)C(=O)O ZINC000653887632 KJ Annotated Mild O=C(CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccc(Cl)cc21)NCc1cccnc1 ZINC000653887789 KJ Annotated Anodyne O=C(CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccc(Cl)cc21)NCc1ccncc1 ZINC000653887801 KJ Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@]32C(=O)N(CC(F)(F)F)c3ccccc32)ccc1-c1cnc(C)o1 ZINC000653890253 KJ Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@]32C(=O)N(CC(F)(F)F)c3ccccc32)ccc1-c1cnc(C)o1 ZINC000653890254 KJ Annotated Anodyne Cc1ccc(Oc2cccc(COc3ccccc3CCC(=O)OC[C@H]3OCCC[C@H]3O[P@](=O)(O)OC[C@H](N)C(=O)O)c2)cc1 ZINC000653890274 KJ Annotated Anodyne O=C(c1cc(N2CCNCC2)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(O[C@H]3CCNC3)c(C3CCCCC3)c2)CC1 ZINC000653891099 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn(C[C@H](O)Cn4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)nn3)c2)cc1 ZINC000653891166 KJ Annotated Clean Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn(C[C@@H](O)Cn4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)nn3)c2)cc1 ZINC000653891167 KJ Annotated Clean Cc1ccc(Oc2cccc(COc3ccccc3CCC(=O)O[C@@H]3CCCO[C@@H]3CO[P@](=O)(O)OC[C@H](N)C(=O)O)c2)cc1 ZINC000653893463 KJ Annotated Anodyne CN(C(=O)NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 ZINC000653893484 KJ Annotated Reactive COC(=O)CN(c1ccc(CN(c2ccc(OCc3cccc(C)c3)c(C(=O)OC)c2)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000653894884 KJ Annotated Anodyne CO[C@]1(c2cc(O)cc(O)c2)C=C(CC/C=C(\CO)CC/C=C(\C)COC(=O)/C=C/c2ccc(O)cc2)C(=O)O1 ZINC000653895039 KJ Annotated Anodyne CO[C@@]1(c2cc(O)cc(O)c2)C=C(CC/C=C(\CO)CC/C=C(\C)COC(=O)/C=C/c2ccc(O)cc2)C(=O)O1 ZINC000653895040 KJ Annotated Anodyne CCOC(=O)c1c(-c2ccc(N(C)C)cc2)c(C#N)c(=O)n(/N=C(\C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1N ZINC000653895435 KJ Annotated Mild CCOC(=O)c1c(-c2ccc3c(c2)OCO3)c(C#N)c(=O)n(/N=C(\C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1N ZINC000653895477 KJ Annotated Mild CCc1c(C)c2cc3[nH]c(cc4nc(c(CCC(=O)N[C@@H](CC(=O)O)C(=O)O)c4C)c(C(=O)OC)c4[nH]c(cc1n2)c(C)c4C(=O)OC)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000653895731 KJ Annotated Bother CN(C(=O)NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 ZINC000653897402 KJ Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000653899328 KJ Annotated Bother COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1[N+](=O)[O-] ZINC000653912209 KJ Annotated Bother O=C1Nc2ccc(NC(=O)[C@H](NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)cc2/C1=C/c1cnc[nH]1 ZINC000653912234 KJ Annotated Anodyne Cn1cc(-c2c(Br)cnn2C)cc1C(=O)NC1(c2ccc(Cl)c(Cl)c2)CCNCC1 ZINC000653912885 KJ Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)c2)nc2ccccc21 ZINC000653915615 KJ Annotated Anodyne CN1CCN(c2cc(OCc3cc(F)c(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)nc(=O)n2C)CC1 ZINC000653915951 KJ Annotated Anodyne Nc1ccc(OCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653915989 KJ Annotated Anodyne COC(=O)CN(c1ccc(CN(c2ccc(OCc3ccccc3)c(C(=O)OC)c2)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000653916360 KJ Annotated Anodyne CNC(=O)c1cccc(-c2ccc(N(CC(F)(F)F)S(=O)(=O)c3cccc4c3ccn4C)cc2)c1 ZINC000653917169 KJ Annotated Anodyne Nc1ccc(OCCOCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653917201 KJ Annotated Anodyne O=C(NN1C(c2ccccc2)=C(c2ccccc2)O[C@]12C(=O)Nc1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000653918583 KJ Annotated Bother O=C(NN1C(c2ccccc2)=C(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000653918584 KJ Annotated Bother CCOC(=O)C1=C(C(F)(F)F)N[C@@H](SCC(=O)c2ccc(C(F)(F)F)cc2)N[C@H]1c1ccc2c(c1)OCO2 ZINC000066073717 KJ Annotated Anodyne Cc1ccccc1-c1cnc(N2CCCCC2)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O ZINC000066074198 KJ Annotated Anodyne CCN(Cc1cc(S(C)(=O)=O)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)OCc1ccccc1 ZINC000066074233 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)CN(C)[C@@]12C(=O)c1cccc3cccc2c13 ZINC000066075527 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O)OCO3 ZINC000066076882 KJ Annotated Anodyne COc1cccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 ZINC000066077277 KJ Annotated Anodyne CCCCCCCSc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn(-c2ccccc2)c1=O ZINC000066077415 KJ Annotated Mild CN(C)CCN1CCN(C(=O)C(CN)(Cc2ccc(C(C)(C)C)cc2)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000066078587 KJ Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000066079251 KJ Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1/N=C(\NCCCCCCNC(=O)OC(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066098428 KJ Annotated Mild Cc1cc(CN2Cc3ncccc3C[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O ZINC000066099357 KJ Annotated Anodyne Cc1cc(CN2Cc3ncccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O ZINC000066099359 KJ Annotated Anodyne NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3ccc(Cl)cc3Cl)c3c2nc(C2CC2)[nH]c3=O)cc1 ZINC000066099785 KJ Annotated Mild NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc(Cl)cc3Cl)c3c2nc(C2CC2)[nH]c3=O)cc1 ZINC000066099786 KJ Annotated Mild COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5coc(C(C)C)n5)CC4)c3[nH]2)cc1 ZINC000066099871 KJ Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2nc(N)nc3sc(-c4ccc(F)cc4)nc23)CC1 ZINC000066099899 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H]4OC[C@@]5(C)[C@@H](NC(=O)c6ccccc6)C=C[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45 ZINC000066100369 KJ Annotated Anodyne CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000066101368 KJ Annotated Anodyne C=CC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@H]1CCCN1C(=O)[C@@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066102854 KJ Annotated Mild O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066102858 KJ Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2cc(OC)c(OC)c(OC)c2)n2c1Cc1ccccc1C2 ZINC000066103251 KJ Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N/N=C\c3ccc(Cl)cc3)nc(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000066111755 KJ Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N/N=C\c3ccc(Cl)cc3)nc(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000066111756 KJ Annotated Mild COCCCNC(=O)C[C@H]1C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]2(C)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000066111872 KJ Annotated Anodyne O=C1NC[C@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066111907 KJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)C=C[C@]4(O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000066112459 KJ Annotated Anodyne C=CC[C@@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)N[C@H](COC(=O)[C@@H](CC=C)CC(=O)OC(C)(C)C)C(C)(C)C ZINC000066112778 KJ Annotated Mild C=CC[C@@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)N[C@H](COC(=O)[C@@H](CC=C)CC(=O)OC(C)(C)C)c1ccccc1 ZINC000066113100 KJ Annotated Mild CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C)[C@]2(O)[C@H](O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000066113249 KJ Annotated Anodyne COCCCNC(=O)C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(OC)cc4c3CCN2C1=O ZINC000066113643 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(OC)cc4c3CCN2C1=O ZINC000066113645 KJ Annotated Anodyne CCC(=O)N(CCNC(=N/C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000066113902 KJ Annotated Mild COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCCCC3)[C@@]3(C)c4[nH]c5ccc(Cl)cc5c4CCN3C2=O)cc1OC ZINC000066114132 KJ Annotated Anodyne C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCOCC1 ZINC000066114157 KJ Annotated Anodyne CCC(=O)N(CCCNC(=N/C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000066114231 KJ Annotated Mild O=C1O[C@H](c2ccccc2)CNC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\C[C@H]1Cc1ccc(F)cc1 ZINC000066114286 KJ Annotated Anodyne C=C1CO[C@H]2[C@H]1C[C@H](OC[C@@]13C[C@@H]4[C@H](C)[C@H](Cl)C[C@H]4[C@@]4(C=O)C[C@@H]1C=C(C(C)C)[C@]43C(=O)O)O[C@@H]2C ZINC000066120271 KJ Annotated Reactive CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)C/C(=C\C(=O)N1C[C@H](O)CC1=O)OC)OC ZINC000066123024 KJ Annotated Mild O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCOCC3)cc1S2(=O)=O ZINC000066123348 KJ Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066123665 KJ Annotated Anodyne O=C(C[C@H]1C/C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000066123715 KJ Annotated Anodyne C=CCC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](C)NC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066123860 KJ Annotated Mild CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000066124013 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000066124015 KJ Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)CCC2 ZINC000066124344 KJ Annotated Mild O=C(C[C@@H]1C/C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](Cc2ccccc2)NC1=O)N[C@H](CO)Cc1ccccc1 ZINC000066124593 KJ Annotated Anodyne CCCCCCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(Cc1ccccc1)c1ccccc13 ZINC000066128628 KJ Annotated Anodyne CCCCCCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(Cc1ccccc1)c1ccccc13 ZINC000066128630 KJ Annotated Anodyne CCCCCCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(Cc1ccccc1)c1ccccc13 ZINC000066128633 KJ Annotated Anodyne CC(C)(C)[C@@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000066128999 KJ Annotated Anodyne COc1cccc([C@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066129115 KJ Annotated Anodyne COc1cccc([C@H]2Oc3ccc(OC)cc3C(=O)[C@@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066129116 KJ Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066129118 KJ Annotated Anodyne CC(C)(C)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000066129134 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NC(C)(C)C)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000066129153 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NC(C)(C)C)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000066129155 KJ Annotated Anodyne CCCCN1C(=N)N([C@@H](CCC)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C[C@H]1[C@H](C)CC ZINC000066129506 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000066129706 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066129711 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066129713 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCc2ccccn2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C ZINC000066136235 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2ccco2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C ZINC000066136250 KJ Annotated Anodyne O=C1OC[C@H](c2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\C[C@H]1Cc1ccc(F)cc1 ZINC000066136293 KJ Annotated Anodyne C=CC[C@@H](CC(=O)OC(C)(C)C)C(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066136303 KJ Annotated Mild O=C(C[C@@H]1C/C=C/CC[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H](Cc2ccccc2)NC1=O)N[C@H](CO)Cc1ccccc1 ZINC000066136323 KJ Annotated Anodyne O=C1O[C@@H](c2ccccc2)CNC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\C[C@H]1Cc1ccc(F)cc1 ZINC000066136368 KJ Annotated Anodyne C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](C)NC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066136416 KJ Annotated Mild C=CC[C@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)N[C@H](COC(=O)[C@H](CC=C)CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000066136496 KJ Annotated Mild CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C ZINC000066136513 KJ Annotated Anodyne C=CC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H]1CCCN1C(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066136536 KJ Annotated Mild CC(C)(C)[C@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000066136582 KJ Annotated Anodyne COCCCNC(=O)C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O ZINC000066136646 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O ZINC000066136647 KJ Annotated Anodyne CCCCN1C(=N)N([C@@H](CCC)CN2CCC[C@H]2CN2C(N)=NC[C@H]2CC(C)C)C[C@H]1Cc1ccccc1 ZINC000066136659 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@]12C ZINC000066136666 KJ Annotated Anodyne CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(C(=O)c1cc(I)ccc1F)CC2 ZINC000066138309 KJ Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066138341 KJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)N4CCN(C5CCCCC5)CC4)c2C3=O)cc1OC ZINC000066138370 KJ Annotated Anodyne CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc(C(F)(F)F)c2)N/C1=N\Cc1cc(OC)c(OC)c(OC)c1 ZINC000066138495 KJ Annotated Mild COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)N4CCN(c5ccc(Cl)cn5)CC4)c2C3=O)cc1OC ZINC000066139046 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(CC=C(C)C)c3ccccc3[C@]23CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C3=N1 ZINC000066139076 KJ Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000066139083 KJ Annotated Anodyne O=C1OC[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\C[C@H]1Cc1ccc(F)cc1 ZINC000066139099 KJ Annotated Anodyne C=CC[C@@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)N[C@H](COC(=O)[C@@H](CC=C)CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000066139114 KJ Annotated Mild Cc1ccccc1Oc1ccc2c(c1)[C@@H]1C[C@H](N(C)C(=O)c3ccc(C#N)cc3)[C@H]([C@H](C)O)C(=O)N1CC2 ZINC000066139206 KJ Annotated Mild CCCCN1C(=N)N([C@@H](CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(C)C)C[C@H]1Cc1ccccc1 ZINC000066139217 KJ Annotated Anodyne Cc1ccccc1Oc1ccc2c(c1)[C@@H]1C[C@H](N(C)C(=O)NC3CCCCC3)[C@H]([C@H](C)O)C(=O)N1CC2 ZINC000066139468 KJ Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)c1ccccc1C2=O ZINC000066139579 KJ Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000066139592 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000066139595 KJ Annotated Anodyne O=C(C[C@H]1C/C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000066139756 KJ Annotated Anodyne O=C1NC[C@@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066139870 KJ Annotated Anodyne O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000066147766 KJ Annotated Anodyne O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066147893 KJ Annotated Anodyne N#Cc1ccc2c(c1)C[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3c(c(=O)oc4ccccc34)[C@@H]2O1 ZINC000066148033 KJ Annotated Mild C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccco1)C[C@@H]2C(=O)N1CCCCC1 ZINC000066148034 KJ Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCCN(C)C)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C)C(C)C ZINC000066148105 KJ Annotated Anodyne C=CC[C@@H](CC(=O)OC(C)(C)C)C(=O)O[C@@H](CNC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)c1ccccc1 ZINC000066148664 KJ Annotated Mild C=CC[C@@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)NC[C@H](OC(=O)[C@@H](CC=C)CC(=O)OC(C)(C)C)c1ccccc1 ZINC000066156414 KJ Annotated Mild COc1ccc(/C=C/C(=O)NCCOCCOC(=O)/C=C/c2c(C)oc3c(C)c4oc(=O)cc(C)c4cc23)cc1OC ZINC000066156538 KJ Annotated Anodyne C=CC[C@@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)NC[C@@H](OC(=O)[C@@H](CC=C)CC(=O)OC(C)(C)C)c1ccccc1 ZINC000066156981 KJ Annotated Mild CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000066157351 KJ Annotated Anodyne CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000066157353 KJ Annotated Anodyne CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000066157354 KJ Annotated Anodyne CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000066157357 KJ Annotated Anodyne O=C(C[C@H]1C/C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@@H](CO)Cc1ccccc1 ZINC000066157385 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(C#N)c2)cc1 ZINC000066166013 KJ Annotated Mild CC(C)C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(C#N)c2)cc1 ZINC000066166016 KJ Annotated Mild CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C ZINC000066166041 KJ Annotated Anodyne C=CC[C@@H](CC(=O)OC(C)(C)C)C(=O)OC[C@@H](NC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)c1ccccc1 ZINC000066166141 KJ Annotated Mild C=CCC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@H](C)NC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066166484 KJ Annotated Mild O=C1N[C@H](Cc2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066166488 KJ Annotated Anodyne CC(C)(C)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000066166749 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000066166806 KJ Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1 ZINC000066166868 KJ Annotated Anodyne O=C1NC[C@@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066166889 KJ Annotated Anodyne COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)c2cccs2)cc1Cl ZINC000066166892 KJ Annotated Reactive COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)c2cccs2)cc1Cl ZINC000066166893 KJ Annotated Reactive C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@H](C)NC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066166956 KJ Annotated Mild CCOC(=O)CN1C(=O)[C@@]2(CC(C)=CC[C@H](COc3ccccc3)O2)c2c(Br)cccc21 ZINC000066167029 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(CC(C)=CC[C@H](COc3ccccc3)O2)c2c(Br)cccc21 ZINC000066167030 KJ Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)c2c(Br)cccc21 ZINC000066167031 KJ Annotated Anodyne C=CCC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@H](C)NC(=O)[C@@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066167149 KJ Annotated Mild C=CC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H]1CCCN1C(=O)[C@@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066167150 KJ Annotated Mild CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000066167151 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000066167152 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(Cl)cc3)N21 ZINC000066167163 KJ Annotated Anodyne O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066167190 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCCCn1ccnc1 ZINC000066167233 KJ Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCCCn1ccnc1 ZINC000066167234 KJ Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000066167253 KJ Annotated Mild O=C1OC[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\C[C@H]1Cc1ccc(F)cc1 ZINC000066167285 KJ Annotated Anodyne C=CC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@H]1CCCN1C(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066167321 KJ Annotated Mild C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCOCC1 ZINC000066167330 KJ Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066167371 KJ Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(OC)c(OC)c2)n2c1Cc1ccccc1C2 ZINC000066251176 KJ Annotated Anodyne CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)c4cccc(S(C)(=O)=O)c4)c3)nc2c2c1ncn2C ZINC000066251606 KJ Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000066252067 KJ Annotated Bother COc1cc(CN2C(=O)[C@@H]3CS[C@]4(C(=O)N(C(=O)c5ccc(Cl)cc5)c5ccc(C)cc54)N3C2=O)cc(OC)c1OC ZINC000066252093 KJ Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000066252325 KJ Annotated Bother COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1sccc1C)C(=O)OC)NCCC(=O)c1cc(C)cs1 ZINC000066252520 KJ Annotated Reactive COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1sccc1C)C(=O)OC)NCCC(=O)c1cc(C)cs1 ZINC000066252521 KJ Annotated Reactive COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1cc(C)cs1)C(=O)OC)NCCC(=O)c1sccc1C ZINC000066252522 KJ Annotated Reactive COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1sccc1C)C(=O)OC)NCCC(=O)c1cc(C)cs1 ZINC000066252523 KJ Annotated Reactive CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc3oc4cccnc4c3c2)s1 ZINC000066252705 KJ Annotated Anodyne CCCC(CCC)C(=O)N(C)[C@@H](C(=O)O[C@@H](C(=O)N(C)CCc1ccc(OC)c(OC)c1)c1ccccc1)C(C)(C)O ZINC000066252712 KJ Annotated Anodyne CCCC(CCC)C(=O)N(C)[C@H](C(=O)O[C@@H](C(=O)N(C)CCc1ccc(OC)c(OC)c1)c1ccccc1)C(C)(C)O ZINC000066252713 KJ Annotated Anodyne Cc1ccc(C(=O)N2C(=O)[C@]3(SC[C@H]4C(=O)N(Cc5ccc(Cl)cc5)C(=O)N43)c3ccccc32)cc1 ZINC000066252717 KJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cc(OC)c(OC)c(OC)c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259005 KJ Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000066260089 KJ Annotated Bother COC(=O)[C@@H](CSSC[C@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 ZINC000066263144 KJ Annotated Reactive COC(=O)[C@H](CSSC[C@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 ZINC000066263150 KJ Annotated Reactive COC(=O)[C@@H](CSSC[C@@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 ZINC000066263154 KJ Annotated Reactive C=C(CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@H]2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2O)C(=C)[C@@H]1CC3)C(C)C ZINC000067899042 KJ Annotated Mild CCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C=O)NC(=O)c1nc(-c2cc(OC)ccc2O)oc1C)C(C)(C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000067957786 KJ Annotated Mild CCN(CC)CCCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000067973938 KJ Annotated Anodyne C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1C ZINC000067983821 KJ Annotated Anodyne C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(COC(=O)Cc6ccoc6)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C ZINC000067983822 KJ Annotated Anodyne COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3Cc4c(OC(C)=O)c(C)c5c(c4[C@H](CNC(=O)/C=C/c4cccc(C(F)(F)F)c4)N3[C@@H](O)[C@H](C2)N1C)OCO5 ZINC000068014156 KJ Annotated Clean CC(C)COC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](Cc1ccccc1)C(=O)OCC(C)C ZINC000068150797 KJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2 ZINC000068152777 KJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2 ZINC000068152781 KJ Annotated Anodyne CN1CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198773 KJ Annotated Anodyne Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5-c5ccccc5C4)CC3)CC2)ccn1 ZINC000068200704 KJ Annotated Anodyne N=C(/N=C(\O)c1ccc(C(=O)NCc2cccc(NC(=O)OCc3ccccc3)c2)[nH]1)NC(=O)OCc1ccccc1 ZINC000068202742 KJ Annotated Mild CCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000068205697 KJ Annotated Anodyne NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2oc(=O)[nH]c2c1 ZINC000068207171 KJ Annotated Anodyne O=C(CC[C@]1(CCOC(=O)Nc2cc(Cl)ccc2Cl)OOC2(O1)C1CC3CC(C1)CC2C3)NCCN1CCOCC1 ZINC000068207336 KJ Annotated Anodyne O=C(CC[C@@]1(CCOC(=O)Nc2cc(Cl)ccc2Cl)OOC2(O1)C1CC3CC(C1)CC2C3)NCCN1CCOCC1 ZINC000068207340 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCN(C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000068245724 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCN(C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000068245725 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCCNC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000068245728 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCCNC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000068245729 KJ Annotated Anodyne N#CC1CCN(C(=O)N2C[C@@H](NC(=O)c3ccccc3)C[C@@H](c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000068246382 KJ Annotated Anodyne CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCN(C4CCC5(CC4)OCCCO5)CC3)no2)cc1 ZINC000068247150 KJ Annotated Anodyne CC[C@H](NC(=O)OC)C(=O)N1[C@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCN(C)N6C(=O)[C@H](CC)NC(=O)OC)[nH]5)cc4)cc3)[nH]2)CCN1C ZINC000068247373 KJ Annotated Anodyne Cc1c(N2CCCCC2=O)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000068248872 KJ Annotated Anodyne COCCOc1cc(CC2CCN(CCc3ccc4c(c3)[C@H](O)CCO4)CC2)ccc1Br ZINC000068251402 KJ Annotated Anodyne COCCOc1cc(CC2CCN(CCc3ccc4c(c3)[C@@H](O)CCO4)CC2)ccc1Br ZINC000068251406 KJ Annotated Anodyne CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 ZINC000068267545 KJ Annotated Mild COC(=O)[C@@]1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@@]1(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)[C@@H](OC(=O)C(C)C)[C@H](OC(C)=O)[C@H]21 ZINC000069481898 KJ Annotated Anodyne in-vitro biogenic COc1c(C)c(O)c2c(c1-c1c(OC)c(C)c(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C(=O)c1cc(C)cc(O)c1C2=O ZINC000069482150 KJ Annotated Clean in-vitro biogenic O=C(C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)cc1O)c1ccc(O)cc1O ZINC000069482570 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc(CC(=O)/C=C/c5ccc(O)c(O)c5)c(OC)c4)OC[C@@H]23)ccc1O ZINC000070450901 KJ Annotated Mild 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]4OC(C)=O ZINC000070450933 KJ Annotated Mild in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000070450961 KJ Annotated Anodyne in-vitro biogenic COC(=O)c1c2c(c3ccccc3c1O)O[C@]13[C@@H]2Oc2c(c(C(=O)OC)c(O)c4ccccc24)[C@H]1C(=O)OC3(C)C ZINC000070451242 KJ Annotated Anodyne in-vitro biogenic O=c1cc(CCc2ccccc2)oc2c1[C@@H]1Oc3cc4c(=O)cc(CCc5ccccc5)oc4cc3O[C@H]1[C@@H](O)[C@@H]2O ZINC000070454124 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000070455077 KJ Annotated Anodyne in-vitro biogenic 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]6OC(C)(C)OC[C@@]6(O)[C@H]5CC[C@]24C)[C@H]3C1 ZINC000070455105 KJ Annotated Mild in-vitro biogenic 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@@]6(COC(C)(C)O6)[C@H]5CC[C@]24C)[C@H]3C1 ZINC000070455106 KJ Annotated Mild in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@](C)(O/C=C(\C)C=O)[C@@](C)(O)[C@@H](C)C2 ZINC000070455333 KJ Annotated Reactive in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@](C)(O/C=C(/C)C=O)[C@@](C)(O)[C@@H](C)C2 ZINC000070455339 KJ Annotated Reactive in-vitro biogenic Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3c(C)nn(-c4ccccc4)c3N3CCCC3)c2)c(C)c1 ZINC000070463010 KJ Annotated Reactive C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)CC1CC1 ZINC000070463051 KJ Annotated Anodyne O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000070463120 KJ Annotated Reactive O=C(CNC(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)c2)cc1)COC(=O)c1c2ccccc2cc2ccccc12 ZINC000070463278 KJ Annotated Bother CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1Cl ZINC000070718714 KJ Annotated Anodyne CN1[C@@H](c2ccc(C(=N)N)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C3CCCCC3)[C@@H]2C1(C)C ZINC000070718771 KJ Annotated Anodyne COc1cc(CN(C)C(=O)c2ccc(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc2)cc(OC)c1OC ZINC000070725354 KJ Annotated Anodyne CN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000071294850 KJ Annotated Anodyne CC(C)(C)c1ccc(NC(=O)CCN)c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CCN)nn2)c1 ZINC000071295359 KJ Annotated Anodyne CCCCCCCCCCCCCCC[C@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O)OC(C)=O ZINC000071295737 KJ Annotated Mild in-vitro COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000071295912 KJ Annotated Anodyne in-vitro CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(O[C@@H]4CCCNC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000071296270 KJ Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(O[C@H]4CCCNC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000071296271 KJ Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC4CCNCC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000071296652 KJ Annotated Anodyne CC(C)CCCCCCCCCCCCOCCCO[P@](=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O ZINC000071297041 KJ Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@](C)([C@H]4CC[C@@](C)([C@@H](C)[C@H]5COC(=O)C5)C[C@]14C)[C@@H]23 ZINC000071297066 KJ Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@](C)([C@H]4CC[C@@](C)([C@@H](C)[C@H]5COC(=O)C5)C[C@]14C)[C@@H]23 ZINC000071297067 KJ Annotated Anodyne CC(=O)Nc1ccc2cc3ccc(NC(=O)Cn4cc(CNC(=O)CCCC[C@@H]5CCSS5)nn4)cc3nc2c1 ZINC000071316318 KJ Annotated Reactive CC(=O)Nc1ccc2cc3ccc(NC(=O)Cn4cc(CNC(=O)CCCC[C@H]5CCSS5)nn4)cc3nc2c1 ZINC000071316319 KJ Annotated Reactive CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OCCN(C)C)cc2cn1 ZINC000071316640 KJ Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(Br)cc(Br)c3)c3ccccc23)no1 ZINC000071317848 KJ Annotated Anodyne CNC(=O)/C(CCCCC[C@@H](C(=O)Nc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)OC(C)(C)C)=N\O ZINC000071318090 KJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000071318238 KJ Annotated Anodyne Cn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccccc21 ZINC000071318262 KJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(CNS(=O)(=O)c3cccc4ccccc34)cc(=O)n21 ZINC000071318856 KJ Annotated Anodyne Cc1cccc(-c2ccnc3c(C(=O)Nc4nn(-c5ccccc5)nc4C(=O)c4cn(C)c5ccccc45)cnn23)n1 ZINC000071319043 KJ Annotated Anodyne Cc1cc(O)c(C(=O)c2c(O)ccc(O)c2C)c(O)c1-c1c(C)cc(O)c(C(=O)c2c(O)ccc(O)c2C)c1O ZINC000071329069 KJ Annotated Anodyne in-vitro COc1ccc(-c2c(Br)c(C(=O)NC3(C#N)CCOCC3)nn2-c2cccc(Br)c2)cc1 ZINC000071329144 KJ Annotated Mild CCN1C(=O)c2nc(-c3ccc(C(=O)N4CCCCC4)nc3)n(Cc3ccc(F)c(F)c3)c2N2C[C@@H](C(C)C)N=C12 ZINC000071331422 KJ Annotated Anodyne O=C(c1ccc(-c2ccc3c(c2)CNC3)s1)N1N=C(c2cncc(CO)c2)C[C@H]1c1c(O)cccc1F ZINC000071332174 KJ Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CNC3)s1)N1N=C(c2cncc(CO)c2)C[C@@H]1c1c(O)cccc1F ZINC000071332176 KJ Annotated Clean COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1scnc1C ZINC000071332191 KJ Annotated Anodyne COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)N(C)CCc3ccccn3)c3cc(F)ccc32)c(C)c1C ZINC000071332660 KJ Annotated Anodyne CCN1C(=O)c2nc(-c3ccc(C(=O)N4CCCC(F)(F)C4)nc3)n(Cc3ccc(F)c(F)c3)c2N2C[C@@H](C(C)C)N=C12 ZINC000071333522 KJ Annotated Anodyne CCN1C(=O)c2nc(-c3ccc(C(=O)N4CCC(F)(F)CC4)nc3)n(Cc3ccc(F)c(F)c3)c2N2C[C@@H](C(C)C)N=C12 ZINC000071333935 KJ Annotated Anodyne O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071341255 KJ Annotated Anodyne CCCCCCc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ncn(-c2cccc(Cl)c2)c1=O ZINC000071410530 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1 ZINC000072102002 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1 ZINC000072102003 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@]12C ZINC000072102219 KJ Annotated Anodyne CC(C)[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)nc2)cc1 ZINC000072103048 KJ Annotated Anodyne CC(C)[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)nc2)cc1 ZINC000072103049 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072103634 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072103635 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103976 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103977 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103978 KJ Annotated Anodyne CCc1ccc([C@H]2C[C@@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000072104260 KJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccnc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000072104284 KJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccnc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000072104285 KJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000072104299 KJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000072104301 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1 ZINC000072104302 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1 ZINC000072104303 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000072104347 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000072104348 KJ Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccc2c1C(=O)c1ccc(N3CCCCC3)cc1S2(=O)=O ZINC000072104504 KJ Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OCc3oc4cc(OC)c(OS(=O)(=O)O)cc4c3C(=O)OCC)c(OC)cc12 ZINC000072104698 KJ Annotated Anodyne CC(C)[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000072105095 KJ Annotated Anodyne CC(C)[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000072105096 KJ Annotated Anodyne COc1cc([C@H]2Oc3cc([C@H]4Oc5cccc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2CO[P@@](=O)(O)Oc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000072105191 KJ Annotated Bother COc1cc([C@@H]2Oc3cc([C@H]4Oc5cccc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2CO[P@@](=O)(O)Oc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000072105192 KJ Annotated Bother COc1cc([C@H]2Oc3cc([C@H]4Oc5cccc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO[P@@](=O)(O)Oc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000072105193 KJ Annotated Bother COc1cc([C@@H]2Oc3cc([C@H]4Oc5cccc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO[P@@](=O)(O)Oc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000072105194 KJ Annotated Bother CCCC[C@H](OC(=O)CN1CCCCC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1 ZINC000072105224 KJ Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCCCC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1 ZINC000072105225 KJ Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072105314 KJ Annotated Mild C=C1CN(S(=O)(=O)c2ccccc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000072105370 KJ Annotated Mild Cc1ccc(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3cc(C#N)ccc23)cc1C ZINC000072106140 KJ Annotated Mild CCCC[C@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCCO[N+](=O)[O-])cc1 ZINC000072106301 KJ Annotated Anodyne CCCC[C@@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCCO[N+](=O)[O-])cc1 ZINC000072106302 KJ Annotated Anodyne O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCn1cc[n+](Cc2ccc(F)cc2F)c1 ZINC000072106303 KJ Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000072106365 KJ Annotated Anodyne C=C1[C@H](OCC(C)C)C[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000072106369 KJ Annotated Mild CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS(=O)(=O)O)cc4c3C(=O)OCC)cc12 ZINC000072106529 KJ Annotated Anodyne C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1c(-c2cc(OC)ccc2OC)nc2sccn12 ZINC000072106546 KJ Annotated Mild O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@@H](COS(=O)(=O)Cc2ccccc2)c2c1cc([N+](=O)[O-])c1ccccc21 ZINC000072106613 KJ Annotated Mild O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@H](COS(=O)(=O)Cc2ccccc2)c2c1cc([N+](=O)[O-])c1ccccc21 ZINC000072106614 KJ Annotated Mild Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc2cc(C#N)ccc2c1C(=O)c1cccc(Cl)c1 ZINC000072106619 KJ Annotated Mild COCCN(C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(F)cn1)c(=O)n2Cc1c(F)cccc1F ZINC000072107089 KJ Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000072108104 KJ Annotated Anodyne COCCN(C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(C)cn1)c(=O)n2Cc1c(F)cccc1F ZINC000072108748 KJ Annotated Anodyne CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCN2CCCC2=O)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072109931 KJ Annotated Anodyne O=C(NCC(F)(F)F)c1cn(-c2cccc(-c3ccc([C@@H]4C[C@@H]4C(=O)O)cc3)c2)c2ncccc2c1=O ZINC000072110031 KJ Annotated Anodyne O=C(NCC(F)(F)F)c1cn(-c2cccc(-c3ccc([C@H]4C[C@@H]4C(=O)O)cc3)c2)c2ncccc2c1=O ZINC000072110032 KJ Annotated Anodyne O=C(NCC(F)(F)F)c1cn(-c2cccc(-c3ccc([C@H]4C[C@H]4C(=O)O)cc3)c2)c2ncccc2c1=O ZINC000072110033 KJ Annotated Anodyne CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCn2ccnn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110433 KJ Annotated Anodyne O=C(NCc1ccc(Cl)cc1)c1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000072110484 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNC(C)(C)C)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000072110495 KJ Annotated Mild CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNC(C)(C)C)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000072110496 KJ Annotated Anodyne O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCn1c[n+](Cc2ccc(F)cc2F)cn1 ZINC000072110912 KJ Annotated Anodyne C/C=C(\C)C(=O)[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)[C@@H](C)CC)C3=CC(=O)OC3)[C@@H]12 ZINC000072112035 KJ Annotated Mild CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](OC(=O)[C@@H](C)CC)CC[C@]2(O)CCl)C1=CC(=O)OC1 ZINC000072112304 KJ Annotated Reactive C/C=C(\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](OC(=O)/C(C)=C/C)CC[C@]2(O)CCl)C1=CC(=O)OC1 ZINC000072112391 KJ Annotated Reactive C/C=C(\C)C(=O)O[C@@H]1CC[C@](O)(CCl)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)[C@@H](C)CC)C3=CC(=O)OC3)[C@@H]12 ZINC000072113108 KJ Annotated Reactive O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1Cc1ccccn1 ZINC000072113819 KJ Annotated Anodyne COC(=O)[C@@H](CSSC[C@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br ZINC000072113971 KJ Annotated Reactive COC(=O)[C@H](CSSC[C@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br ZINC000072113972 KJ Annotated Reactive COC(=O)[C@@H](CSSC[C@@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br ZINC000072113973 KJ Annotated Reactive COC(=O)[C@@H](CSSC[C@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 ZINC000072113977 KJ Annotated Reactive COC(=O)[C@H](CSSC[C@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 ZINC000072113978 KJ Annotated Reactive COC(=O)[C@@H](CSSC[C@@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 ZINC000072113979 KJ Annotated Reactive OC1COc2ccccc2CNn2c(nnc2-c2cccnc2)SCCCSc2nnc(-c3cccnc3)n2NCc2ccccc2OC1 ZINC000072113980 KJ Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000072114169 KJ Annotated Mild COC(=O)[C@@H](CSSC[C@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 ZINC000072115274 KJ Annotated Reactive COC(=O)[C@H](CSSC[C@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 ZINC000072115275 KJ Annotated Reactive COC(=O)[C@@H](CSSC[C@@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 ZINC000072115276 KJ Annotated Reactive CC(=O)Oc1cc([C@@H]2c3c(O)cc(O)cc3[C@H]3[C@H](c4ccc(O)c(OC(C)=O)c4)c4c(O)cc(O)cc4[C@@H]23)ccc1O ZINC000072116435 KJ Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cn(C[C@H](NC(=O)CCS(=O)(=O)c2ccccc2)C(=O)O)nn1 ZINC000072116980 KJ Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(C#N)c3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072117015 KJ Annotated Mild CCc1cc(=O)c2ccc(OCc3cccc(C#N)c3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072117016 KJ Annotated Mild COc1cc(C(=C2O[C@@H]([C@H]3COC(C)(C)O3)[C@H]3OC(C)(C)O[C@@H]23)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000072117025 KJ Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000072118189 KJ Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000072118190 KJ Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(Cl)cc1Cl)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118191 KJ Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(Cl)cc1Cl)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118192 KJ Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN(c4ncccn4)CC3)n2)cc1C(F)(F)F ZINC000072118299 KJ Annotated Mild CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)C[C@@H]3C[C@]2(OC3(C)C)[C@@H]1C ZINC000072118544 KJ Annotated Anodyne CC(=O)N1CCN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ccnc4ccccc34)n2)CC1 ZINC000072118858 KJ Annotated Mild CCN1CCN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ccnc4ccccc34)n2)CC1 ZINC000072118891 KJ Annotated Mild O[C@H](COc1ccccc1/C=N\n1c(S)nnc1-c1cccnc1)COc1ccccc1/C=N\n1c(-c2cccnc2)n[nH]c1=S ZINC000072119058 KJ Annotated Mild Cc1ccc([C@H]2Oc3cc([N+](=O)[O-])c(Cl)cc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 ZINC000072119650 KJ Annotated Bother Cc1ccc([C@@H]2Oc3cc([N+](=O)[O-])c(Cl)cc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 ZINC000072119651 KJ Annotated Bother COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072119726 KJ Annotated Anodyne COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072119727 KJ Annotated Anodyne COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072119728 KJ Annotated Anodyne COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072119729 KJ Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc23)[C@H]2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000072119767 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(=O)c1ccccc1 ZINC000072120026 KJ Annotated Anodyne CCOc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000072120371 KJ Annotated Reactive Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(Br)o1)Nc1ccccc1-3 ZINC000072120451 KJ Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(Br)o1)Nc1ccccc1-3 ZINC000072120452 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072120489 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072120490 KJ Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000072120562 KJ Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000072120563 KJ Annotated Anodyne O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000072120645 KJ Annotated Anodyne COc1c2c(c3c(c1OC)[C@@]1(OC)C4=C(C(=O)[C@H](OC)[C@@]1(OC)O3)[C@H](OC)C[C@@H](c1ccccc1)O4)[C@H](O)C[C@@H](c1ccccc1)O2 ZINC000072121218 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000072121235 KJ Annotated Mild CCOC(=O)C1CCN(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(Cl)nn3)n2)CC1 ZINC000072121312 KJ Annotated Anodyne COc1ccc(-n2nnnc2[C@@H](c2ccnc3ccccc23)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072121454 KJ Annotated Anodyne COc1ccc(-n2nnnc2[C@H](c2ccnc3ccccc23)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072121455 KJ Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NCC2CCCCC2)[C@H](OC(=O)NCC2CCCCC2)C[C@@H](C(=O)OC)[C@H]1C(=O)OC)S(=O)(=O)c1ccc(C)cc1 ZINC000072121483 KJ Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O ZINC000072121513 KJ Annotated Anodyne COc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072121982 KJ Annotated Anodyne COc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072121983 KJ Annotated Anodyne FC(F)(F)Oc1ccccc1[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072122005 KJ Annotated Anodyne FC(F)(F)Oc1ccccc1[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072122006 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(CC)c3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000072122096 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(SC)c3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000072122097 KJ Annotated Mild O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccccc1)N[C@]21CCCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000072122622 KJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)O3 ZINC000072122689 KJ Annotated Anodyne O=C1OCCN1c1ccc([C@@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000072122787 KJ Annotated Anodyne O=C1OCCN1c1ccc([C@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000072122788 KJ Annotated Anodyne CC(=O)Nc1cccc([C@@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000072123201 KJ Annotated Anodyne CC(=O)Nc1cccc([C@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000072123202 KJ Annotated Anodyne COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1 ZINC000072123389 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000072123490 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000072123656 KJ Annotated Mild C=CC(=C)[C@@H](C[C@]1(C)[C@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/C=C/CCCCC)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O)OO ZINC000072123665 KJ Annotated Reactive Cc1nn(C)cc1CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC1 ZINC000072123727 KJ Annotated Anodyne Cc1c(CN2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cnn1C ZINC000072123728 KJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccc(-n3ccnc3)cc1)C2 ZINC000072124673 KJ Annotated Anodyne C=CC(=C)[C@@H](C[C@]1(C)[C@H](C)[C@@H](O)[C@@H](O)[C@@]23C(=C[C@H](OC(=O)/C=C\C=C\CCCCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O)OO ZINC000072126758 KJ Annotated Reactive COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072126846 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072126847 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127632 KJ Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)c4[nH]c5cc(CCC(=O)N(C)C)ccc5c4CCN3C2=O)cc1OC ZINC000072127638 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127644 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127645 KJ Annotated Anodyne O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000072127668 KJ Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127669 KJ Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1ccco1 ZINC000072127842 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1ccco1 ZINC000072127843 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C3=N1 ZINC000072128030 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000072128034 KJ Annotated Anodyne CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072128659 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCCn2ccnc2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072128673 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCCn2ccnc2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072128674 KJ Annotated Anodyne CC(C)[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000072128702 KJ Annotated Anodyne CC(C)[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000072128703 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072128750 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072128751 KJ Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000072128779 KJ Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000072128847 KJ Annotated Mild in-vitro C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000072129931 KJ Annotated Anodyne in-vitro CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000072131663 KJ Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(CCC4CCCC4)c4[nH]c5ccccc5c4CCN3C2=O)cc1OC ZINC000072132873 KJ Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(CCC4CCCC4)c4[nH]c5ccccc5c4CCN3C2=O)cc1OC ZINC000072132874 KJ Annotated Anodyne COc1cccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000072133466 KJ Annotated Anodyne COc1cccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000072133467 KJ Annotated Anodyne O=c1oc(/C=C/c2ccc(O)c(O)c2)cc(O)c1/C(=C/c1ccc(O)c(O)c1)c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1 ZINC000072134013 KJ Annotated Clean O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCCn1ccnc1 ZINC000072134040 KJ Annotated Anodyne COc1ccc(-n2nnnc2[C@@H](c2ccccc2OC(F)(F)F)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072134130 KJ Annotated Anodyne COc1ccc(-n2nnnc2[C@H](c2ccccc2OC(F)(F)F)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072134131 KJ Annotated Anodyne O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000072134133 KJ Annotated Anodyne O=C(N[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@@H]2COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072134138 KJ Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134161 KJ Annotated Anodyne COc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1OC ZINC000072134164 KJ Annotated Anodyne COc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1OC ZINC000072134165 KJ Annotated Anodyne Oc1c(Br)cc(/C=C2\c3cc(I)ccc3N[C@H]2O)cc1Br ZINC000072134201 KJ Annotated Anodyne Oc1c(Br)cc(/C=C2/c3cc(I)ccc3N[C@H]2O)cc1Br ZINC000072134202 KJ Annotated Anodyne Oc1c(Br)cc(/C=C2\c3cc(I)ccc3N[C@@H]2O)cc1Br ZINC000072134203 KJ Annotated Anodyne Oc1c(Br)cc(/C=C2/c3cc(I)ccc3N[C@@H]2O)cc1Br ZINC000072134204 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000072134807 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000072134808 KJ Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072134857 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000072134931 KJ Annotated Anodyne CC(C)CCN1CCC[C@]2(N[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000072134946 KJ Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000072135045 KJ Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3C[C@@H]2OC(=O)NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000072135046 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000072135059 KJ Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(C)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N1CC3 ZINC000072135792 KJ Annotated Anodyne CC(C)(C)NC(=O)C[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O ZINC000072135818 KJ Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O ZINC000072135819 KJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000072136117 KJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000072136118 KJ Annotated Anodyne CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)oc1-c1ccccc1 ZINC000072136123 KJ Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccc1OC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136207 KJ Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1OC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136208 KJ Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1OC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136285 KJ Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1OC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136286 KJ Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2Cl)C(C#N)(C#N)C(C#N)(C#N)C1 ZINC000072136291 KJ Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2ccco2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072136293 KJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2ccco2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072136294 KJ Annotated Anodyne O=C(N[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072136459 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136491 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136492 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136493 KJ Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCc2ccc3c(c2)OCO3)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000072136685 KJ Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2ccc3c(c2)OCO3)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000072136686 KJ Annotated Bother COc1cccc([C@H](c2nnnn2-c2c(C)cccc2C)N2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000072136755 KJ Annotated Anodyne COc1cccc([C@@H](c2nnnn2-c2c(C)cccc2C)N2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000072136756 KJ Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000072136869 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072136906 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072136907 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(Cc3cccs3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136953 KJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(Cc3cccs3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136954 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000072137504 KJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072137594 KJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072137596 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072137658 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072137659 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072137660 KJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072137661 KJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072137693 KJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072137694 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)NC1CCCCC1 ZINC000072137719 KJ Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)c4[nH]c5ccccc5c4CCN3C2=O)cc1OC ZINC000072137750 KJ Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)c4[nH]c5ccccc5c4CCN3C2=O)cc1OC ZINC000072137751 KJ Annotated Anodyne C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072138083 KJ Annotated Anodyne C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072138084 KJ Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000072138166 KJ Annotated Anodyne O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@@H](CO)Cc1ccccc1 ZINC000072138170 KJ Annotated Anodyne CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072138241 KJ Annotated Anodyne CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072138242 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000072138407 KJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072138415 KJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072138416 KJ Annotated Anodyne CCOC1=C2[C@H](c3ccc(CC)cc3)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]2C(C#N)(C#N)C(C#N)(C#N)C1 ZINC000072138431 KJ Annotated Mild CC(C)C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072138480 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072138481 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072138506 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072138512 KJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072138513 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072138514 KJ Annotated Anodyne O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000072138571 KJ Annotated Anodyne C#CCN1C=CC(=O)[C@H](OC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1Br ZINC000072138579 KJ Annotated Mild C#CCN1C=CC(=O)[C@@H](OC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1Br ZINC000072138580 KJ Annotated Mild O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccccc2)C1=O ZINC000072138600 KJ Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccc(F)cc2)C1=O ZINC000072138651 KJ Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NCCCCCC)[C@H](OC(=O)NCCCCCC)C[C@@H](C(=O)OC)[C@H]1C(=O)OC)S(=O)(=O)c1ccc(C)cc1 ZINC000072139335 KJ Annotated Mild COc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cn1 ZINC000072139584 KJ Annotated Anodyne COc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cn1 ZINC000072139585 KJ Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072139678 KJ Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072139679 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000072139806 KJ Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000072139816 KJ Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1 ZINC000072140730 KJ Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1 ZINC000072140731 KJ Annotated Anodyne CCc1cc(-c2nnn(CC[C@@H]3COCCO3)c2C(C)(C)O)ccc1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000072140905 KJ Annotated Anodyne CCc1cc(-c2nnn(CC[C@H]3COCCO3)c2C(C)(C)O)ccc1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000072140906 KJ Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCN1CCOCC1 ZINC000072140948 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4CC(=O)[C@H]3[C@@H]2c2cccc3ccccc23)cc1 ZINC000072140960 KJ Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3CC(=O)[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000072141081 KJ Annotated Anodyne O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5[nH]4)nn3)c2)c1 ZINC000072141248 KJ Annotated Bother CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OS(=O)(=O)c2ccc(C)cc2)NC(=O)N1CCCC(=O)O ZINC000072141259 KJ Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OS(=O)(=O)c2ccc(C)cc2)NC(=O)N1CCCC(=O)O ZINC000072141260 KJ Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000072141282 KJ Annotated Clean CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072141515 KJ Annotated Anodyne CC(C)(C)OC(=O)CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1 ZINC000072142235 KJ Annotated Anodyne CC(C)(C)OC(=O)CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1 ZINC000072142236 KJ Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(C(=O)OC)c3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072142794 KJ Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(C(=O)OC)c3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072142795 KJ Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C\[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](C(C)C)O2)OC1=O ZINC000072144704 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072146504 KJ Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NC(C)(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072151426 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072151437 KJ Annotated Anodyne NC(=O)[C@H]1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000072152048 KJ Annotated Anodyne NC(=O)[C@H]1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000072152049 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCCCCc1cn([C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000072152711 KJ Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000072152778 KJ Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccco1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072153238 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(O)c(O)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072153841 KJ Annotated Clean COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072154461 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCO)nn1 ZINC000072158221 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072161454 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072164553 KJ Annotated Anodyne COc1cc(/C=C/C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072169805 KJ Annotated Anodyne COc1cc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)N4CCc6c4c(O)c(OC)c4[nH]c(C(=O)SC)cc64)cc35)cc2cc1O ZINC000072170367 KJ Annotated Mild in-vitro COc1cc2[nH]c(C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)c3[nH]c(C(=O)N4CCc6c4c(O)c(OC)c4[nH]c(C(=O)SC)cc64)cc35)cc2cc1O ZINC000072170602 KJ Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc(I)cc2)O1 ZINC000072170679 KJ Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc(I)cc2)O1 ZINC000072170680 KJ Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCNC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072170874 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCNC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072170875 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](O)CCO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170895 KJ Annotated Anodyne C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(I)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072170903 KJ Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(I)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072170904 KJ Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170949 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170950 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5OCCC[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170985 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5OCCC[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170986 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@H](O)CCO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171028 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](O)CCO5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072171029 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171030 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171031 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171032 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171033 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171066 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171067 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5OC[C@@H]6OC(=O)O[C@@H]65)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171741 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171746 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171747 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171884 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171885 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171886 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171887 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C[C@H](O)CCO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171899 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C[C@H](O)CCO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171916 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCNCC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072171932 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171970 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171971 KJ Annotated Anodyne CNCCOc1c(OC)cc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1C ZINC000072171994 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172027 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172028 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172029 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172030 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@H](O)CO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172050 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCN(C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172097 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCN(C)C)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172098 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](O)CO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172105 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5OCC[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172109 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(=O)CCC)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000072172130 KJ Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OCCN(C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172223 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC(N)=O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173020 KJ Annotated Anodyne O=c1c(Br)c(OCc2ccc(F)cc2F)cc(CN2CCOCC2)n1-c1c(F)cccc1F ZINC000072173036 KJ Annotated Anodyne COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc12 ZINC000072173064 KJ Annotated Anodyne O=C1O/C(=C\Cn2ccc(NC(=O)c3ccccc3)nc2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000072173065 KJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5OCC[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173069 KJ Annotated Anodyne O=C(CSc1nnc(Cc2c(NC(=O)CCl)sc3c2CCCC3)n1NC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 ZINC000072173162 KJ Annotated Reactive O=C(O)CCNc1sc2c(c1Cc1nnc(SCC(=O)N/N=C/c3ccccc3)n1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000072173171 KJ Annotated Reactive CCCN(CCC)c1cc2nc([S@@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1NC(=O)c1ccco1 ZINC000072173221 KJ Annotated Anodyne CCCN(CCC)c1cc2nc([S@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1NC(=O)c1ccco1 ZINC000072173222 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2cccc(Cl)c2)C1=O ZINC000072173270 KJ Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000072173284 KJ Annotated Anodyne CNC(=O)Oc1c(OC)cc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1C ZINC000072173458 KJ Annotated Anodyne COc1c(OCCCN(C)C)ccc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc12 ZINC000072173483 KJ Annotated Anodyne O=C(CSc1nnc(Cc2c(NC(=O)CCl)sc3c2CCCC3)n1NC(=O)c1ccccc1)N/N=C/c1ccccc1 ZINC000072173509 KJ Annotated Reactive N#CCSc1nnc(Cc2c(NC(=O)CCl)sc3c2CCCC3)n1NC(=O)c1ccc(Cl)cc1 ZINC000072173595 KJ Annotated Reactive Cc1ccc(/C=C2\CN3C[C@@]4(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2[C@]42C(=O)c4ccccc4[C@]32O)cc1 ZINC000072174394 KJ Annotated Mild Cc1ccc(/C=C2\CN3C[C@]4(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2[C@]42C(=O)c4ccccc4[C@]32O)cc1 ZINC000072174395 KJ Annotated Mild Cc1ccccc1/C=C1\CN2C[C@@]3(C1=O)[C@@H](c1ccccc1C)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072174396 KJ Annotated Mild Cc1ccccc1/C=C1\CN2C[C@]3(C1=O)[C@@H](c1ccccc1C)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072174397 KJ Annotated Mild Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3cccc(F)c3)c3cccc(F)c23)C2CC2)cc1=O ZINC000072174898 KJ Annotated Anodyne Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccc(F)cc3)c3cccc(F)c23)C2CC2)cc1=O ZINC000072175416 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](Oc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000072175728 KJ Annotated Mild CC(=O)OC[C@H]1O[C@@H](Oc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000072176018 KJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2ccc(Br)cc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177929 KJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2ccc(Br)cc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177930 KJ Annotated Mild CC(=O)OCC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br ZINC000072178093 KJ Annotated Reactive C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2c(F)c(F)c(F)c(F)c2F)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178251 KJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2c(F)c(F)c(F)c(F)c2F)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178252 KJ 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)cc1Br ZINC000072178321 KJ 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)cc1Br ZINC000072178322 KJ Annotated Mild C=C1[C@@H](OC(=O)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000072179563 KJ Annotated Mild COc1cc2c(cc1OC)C(=O)N1C[C@@H](n3cc(COc4ccc(/C=C/C(=O)c5ccccc5O)cc4OC)nn3)C[C@H]1C=N2 ZINC000072179901 KJ Annotated Mild CCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c3c2[C@H](C[C@]2(OC[C@H](CC(=O)[C@@](C)(CC)C(=O)OC)[C@H]2C)O3)O1 ZINC000072180149 KJ Annotated Anodyne CCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c3c2[C@H](C[C@]2(OC[C@H](CC(=O)[C@](C)(CC)C(=O)OC)[C@H]2C)O3)O1 ZINC000072180150 KJ Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C2CCCC2)CC1 ZINC000072180235 KJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(SC)n2)cc1-c1ccccc1C)C(=O)O ZINC000072180570 KJ Annotated Anodyne COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)c(=O)oc12 ZINC000072180604 KJ Annotated Anodyne O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4nc5ccccc5s4)nn3)c2)c1 ZINC000072180626 KJ Annotated Bother O=C(O)c1c(-n2c(=O)[nH]c3cscc3c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccc(F)cc1F ZINC000072180683 KJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(S)n2)cc1-c1ccccc1C)C(=O)O ZINC000072180792 KJ Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCCCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000072181536 KJ Annotated Anodyne O=S(=O)(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(OCc2cn(Cc3cccnc3)nn2)c1 ZINC000072182522 KJ Annotated Anodyne COCCOCCN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1cc(C)ccc1C)S(C)(=O)=O ZINC000072182776 KJ Annotated Anodyne COc1c(N2CCC[C@@H](N(C)CCN3C(=O)/C(=N\Nc4ccccc4)c4cc(F)ccc43)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000072184699 KJ Annotated Mild C[C@@H](CCc1ccccc1)N[C@@H](C)[C@H](O)c1cc(I)c(O)c(I)c1 ZINC000072266815 KJ Annotated Anodyne in-man C[C@@H](CCc1ccccc1)N[C@H](C)[C@H](O)c1cc(I)c(O)c(I)c1 ZINC000072266817 KJ Annotated Anodyne in-man C[C@@H]1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c(O)c2OC(=O)[C@@H]1C ZINC000072283882 KJ Annotated Anodyne C[C@@H]1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)[C@@H](C)C(=O)O6)c(O)cc(O)c3c(O)c2C(=O)[C@H]1C ZINC000072283883 KJ Annotated Anodyne C[C@@H]1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c(O)c2OC(=O)[C@@H]1C ZINC000072283885 KJ Annotated Anodyne C[C@@H]1C(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)[C@@H](C)C(=O)O6)c(O)cc(O)c3c2O)O[C@@H]1C ZINC000072283887 KJ Annotated Anodyne O=C(O)[C@@H]1CCS(=O)(=O)N1Cc1cccc(COc2ccc(-c3cc(F)c(F)cc3Cl)cc2)c1 ZINC000072315347 KJ Annotated Anodyne C=C(c1ccc(OC(C)(C)COC(=O)CCC(=O)O)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000072315510 KJ Annotated Reactive investigational C=C(c1ccc(OC(C)(C)COC(=O)CCC(=O)O)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000072315511 KJ Annotated Reactive investigational CONS(=O)(=O)c1cnn2c(Nc3cc(Cl)ccc3Cl)c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc12 ZINC000072316547 KJ Annotated Anodyne CCN/C(O)=N/S(=O)(=O)c1cnn2c(Nc3cc(C)ccc3Cl)c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc12 ZINC000072316549 KJ Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000072317110 KJ Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000072317114 KJ Annotated Anodyne CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCC([C@@H](C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000072317179 KJ Annotated Mild CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCC([C@H](C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000072317180 KJ Annotated Mild FC(F)(F)CNc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(OC4CC4)nc3)nc12 ZINC000072317470 KJ Annotated Anodyne CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2)CC1 ZINC000072317625 KJ Annotated Mild CO[C@H]1C=C[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H](c5ccc(=O)oc5)C(Cl)(Cl)C[C@]4(O)C3=CC[C@H]2C1(C)C ZINC000072317843 KJ Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCC(=O)N(CCC(N)=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000072318123 KJ Annotated Anodyne COC/C=C\C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000073048790 KJ Annotated Mild COC/C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000073048794 KJ Annotated Mild CCC/C=C\c1ccc(CN2[C@H](C(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000073113883 KJ Annotated Anodyne Cc1cc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)ccn1 ZINC000073139405 KJ Annotated Anodyne O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000073140271 KJ Annotated Reactive COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)ccc(CCC#N)c21 ZINC000073140304 KJ Annotated Mild Cc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 ZINC000073156695 KJ Annotated Clean Cc1nc(N2C(=O)CS[C@H]2c2c(Br)cncc2Br)ccc1Br ZINC000073157187 KJ Annotated Anodyne Cc1nc(N2C(=O)CS[C@@H]2c2c(Br)cncc2Br)ccc1Br ZINC000073157189 KJ Annotated Anodyne COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000073158011 KJ Annotated Anodyne CN[C@@H]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000073159988 KJ Annotated Anodyne CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)O)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000073163589 KJ Annotated Anodyne CN1CCN(C(=O)[C@@H](COCc2ccc(F)cc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073164459 KJ Annotated Anodyne NC(=O)[C@@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 ZINC000073165110 KJ Annotated Anodyne NC(=O)[C@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 ZINC000073165113 KJ Annotated Anodyne Cc1ccc(-c2nn3c(SCC(=O)NC4C5CC6CC(C5)CC4C6)nc4ccccc4c3nc2=O)cc1 ZINC000073165509 KJ Annotated Bother CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)O)ccc3CCC(=O)Nc3ccc(F)cc3)sc2C1 ZINC000073166335 KJ Annotated Anodyne CN[C@H]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000073166937 KJ Annotated Anodyne Cc1ccnc(SCC(=O)[C@@]2(OC(=O)c3ccco3)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)n1 ZINC000073168291 KJ Annotated Mild COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000073168549 KJ Annotated Bother COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000073168551 KJ Annotated Bother COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000073168553 KJ Annotated Bother COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000073168555 KJ Annotated Bother COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@](O)(/C=C\[C@@]13O[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]13C)[C@](C)(O)CC2 ZINC000073170091 KJ Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21 ZINC000073170172 KJ Annotated Anodyne O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1Cc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000073195587 KJ Annotated Mild COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)cn(CCCOC)c12 ZINC000073195834 KJ Annotated Anodyne O=C(NCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1cc(N2CCOCC2)cc(C(F)(F)F)c1 ZINC000073195848 KJ Annotated Anodyne COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000073196056 KJ Annotated Reactive O=C(Cc1ccccn1)Nc1sc2c(c1C(=O)OC1CCCC1)CCN(C(=O)NCc1ccccc1)C2 ZINC000073196355 KJ Annotated Anodyne CN(C)C(=O)c1cnc(-c2ccc3c(c2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)nc1 ZINC000073196958 KJ Annotated Anodyne CN(C)C(=O)c1cnc(-c2ccc3c(c2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)nc1 ZINC000073196959 KJ Annotated Anodyne COc1cc(N2CCN(C)CC2)c2cc1Nc1ncc(Cl)c(n1)Nc1cc(ccc1S(=O)(=O)C(C)C)CC2 ZINC000073197432 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)C3=Cc4cc(O)c(O)c5c(O)c(O)cc(c45)[C@@H]32)cc1 ZINC000073197823 KJ Annotated Mild Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)C3=Cc4cc(O)c(O)c5c(O)c(O)cc(c45)[C@H]32)cc1 ZINC000073197824 KJ Annotated Mild CS(=O)(=O)N(Cc1cn(Cc2cc3ccccc3nc2-c2ccccc2O)nn1)c1ccccc1I ZINC000073198022 KJ Annotated Anodyne CCCCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000073199283 KJ Annotated Anodyne COc1cc2c(cc1OCCCn1c(=C(C#N)C#N)c3cccc4cccc1c43)N=C[C@@H]1CCCN1C2=O ZINC000073199440 KJ Annotated Mild COc1cc2c(cc1OCCCCn1c(=C(C#N)C#N)c3cccc4cccc1c43)N=C[C@@H]1CCCN1C2=O ZINC000073199443 KJ Annotated Mild CN1CCN(CCC(=O)O[C@@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200196 KJ Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200198 KJ Annotated Anodyne CN1CCN(CCC(=O)O[C@@H]2CC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200200 KJ Annotated Anodyne N#Cc1ccc(-c2ccc(C(=O)N(Cc3cccnc3-c3cncnc3)c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000073220429 KJ Annotated Mild Nc1cc(Cn2c(/C(O)=N/S(=O)(=O)c3cc(F)ccc3F)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1 ZINC000073221460 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OCCN4CCOCC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073222509 KJ Annotated Mild Nc1cc(Cn2c(/C(O)=N/S(=O)(=O)c3ccc(F)cc3F)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1 ZINC000073222851 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3ccc(N)cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073223241 KJ Annotated Mild COc1cc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc(OC)c1OC ZINC000073223979 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(C1)Nc1ccccc1N1C(C(=O)OC)=NN(c3ccc(Cl)cc3)[C@H]12 ZINC000073224110 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(C1)Nc1ccccc1N1C(C(=O)OC)=NN(c3ccc(Cl)cc3)[C@H]12 ZINC000073224111 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(C1)Nc1ccccc1N1C(C(=O)OC)=NN(c3ccc(Cl)cc3)[C@@H]12 ZINC000073224112 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(C1)Nc1ccccc1N1C(C(=O)OC)=NN(c3ccc(Cl)cc3)[C@@H]12 ZINC000073224113 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3cc(N4CCOCC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224174 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3cc(N4CCN(C)CC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224176 KJ Annotated Mild Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CO)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000073224388 KJ Annotated Bother Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CO)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000073224389 KJ Annotated Bother O=c1c2cc(I)ccc2nc(Sc2ncccc2[N+](=O)[O-])n1Cc1ccccc1 ZINC000073224589 KJ Annotated Bother C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000073224605 KJ Annotated Anodyne C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000073224607 KJ Annotated Anodyne Cn1c(C[N+](C)(C)CCCCCC(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O ZINC000073224676 KJ Annotated Reactive Cn1c(C[N+](C)(C)CCCCCC(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O ZINC000073224677 KJ Annotated Reactive Nc1cc(Cn2c(/C(O)=N/S(=O)(=O)Cc3ccccc3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1 ZINC000073239709 KJ Annotated Mild COCCOc1cc(/C=C/C(O)=N/S(=O)(=O)CCC(C)C)n(Cc2ccc(C(F)(F)F)cc2Cl)n1 ZINC000073239816 KJ Annotated Mild CC(=O)C1=NN(c2ccccc2)[C@@H]2[C@H]3N(c4ccccc4)N=C(C(C)=O)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000073240184 KJ Annotated Anodyne CC(=O)C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(C)=O)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000073240186 KJ Annotated Anodyne Nc1cc(Cn2c(/C(O)=N/S(=O)(=O)c3cc(F)cc(F)c3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1 ZINC000073240332 KJ Annotated Mild COC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OC)N3c3c(C)cccc3N12 ZINC000073240735 KJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OC)N3c3c(C)cccc3N12 ZINC000073240737 KJ Annotated Anodyne CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@]45CCN6C/C(=C\CO)[C@H](C[C@H]64)[C@@H]([C@@H]1O)[C@H]35)-c1[nH]c3ccccc3c1CC2 ZINC000073242950 KJ Annotated Clean COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(OC)c(OS(=O)(=O)O)c2)c2c3cc(OC)c(OC)cc3ccn21 ZINC000073258596 KJ Annotated Bother CC1(C)O[C@H](C[C@]2(C#N)C[C@H](CCl)OC(C)(C)O2)C[C@@H](C[C@]2(C#N)C[C@H](CCl)OC(C)(C)O2)O1 ZINC000073258763 KJ Annotated Reactive Cc1cc(F)ccc1[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073273351 KJ Annotated Mild C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@]45C[C@]35CC[C@]12C)[C@@H](C)CO ZINC000073275149 KJ Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CCNCCCc2nc3ccccc3[nH]2)CC1 ZINC000073276302 KJ Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@H](O)[C@H](O)[C@H](OC)C(=O)N[C@@H]1CCCCN(C)C1=O ZINC000073276736 KJ Annotated Mild CNC(=O)C(=O)N1CC[C@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1 ZINC000073276929 KJ Annotated Mild COc1ccc(-c2cn(CCc3ccc(OC)c(OC)c3)c3c(=O)oc4cc(OS(=O)(=O)O)c(OC)cc4c23)cc1O ZINC000073277131 KJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@@]12COCc1cc3c(cc12)OCO3 ZINC000073277912 KJ Annotated Anodyne CN1CCN(CCCNc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)n2)CC1 ZINC000073292961 KJ Annotated Anodyne Cc1cc(F)ccc1[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073293519 KJ Annotated Mild O=C(O)CN1C(=O)/C(=C/c2c(-c3ccc(Br)cc3)nc3sc(C(F)(F)F)nn23)SC1=S ZINC000073297644 KJ Annotated Clean CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2cccnc2)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000073312981 KJ Annotated Anodyne CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2ccc3c(c2)OCO3)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000073315167 KJ Annotated Anodyne COC(=O)C1=C(OC)C(=[P@]2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC ZINC000073333457 KJ Annotated Unstable CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2ccncc2)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000073335912 KJ Annotated Anodyne C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(C)=O)[C@@H]24)[C@@H](C)CO[C@@]3(C)[C@H](OC(=O)CCCCCCC)C[C@H]1O ZINC000073351431 KJ Annotated Mild Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)n1 ZINC000073352564 KJ Annotated Clean COc1cc2cc(C(=O)N3C[C@H](COS(C)(=O)=O)c4ccc(NC(=O)OCc5ccccc5)cc43)[nH]c2c(OC)c1OC ZINC000073354926 KJ Annotated Mild O=C(COc1ccc(Br)cc1Br)N1N=C(c2ccc([N+](=O)[O-])o2)C[C@@]1(O)c1ccccc1 ZINC000073369630 KJ Annotated Bother C[n+]1c(-c2ccc(/C=N\Nc3ccnc(N/N=C/c4ccc(-c5cn6ccsc6[n+]5C)cc4)n3)cc2)cn2ccsc21 ZINC000073369966 KJ Annotated Mild C[n+]1c(-c2ccc(/C=N/Nc3ccnc(N/N=C/c4ccc(-c5cn6ccsc6[n+]5C)cc4)n3)cc2)cn2ccsc21 ZINC000073386074 KJ Annotated Mild COc1c(F)c(F)cc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)c1F ZINC000073388507 KJ Annotated Anodyne COc1ccc(NC(=O)CC(=O)NN2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3C)N=C2/C=C\c2ccccc2)cc1 ZINC000073389334 KJ Annotated Mild CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000073400083 KJ Annotated Anodyne O=c1/c(=C/c2ccc([N+](=O)[O-])o2)sc2n1[C@@H](c1ccc3c(c1)OCO3)C=C(c1cc(F)c(Cl)cc1Cl)N=2 ZINC000073405330 KJ Annotated Bother CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000073417202 KJ Annotated Unstable c1ccc(C23N=C(Nc4nc5ccccc5[nH]4)NC2(c2ccccc2)NC(Nc2nc4ccccc4[nH]2)=N3)cc1 ZINC000079112460 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000008034759 KJ Annotated Anodyne CO[C@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000008035574 KJ Annotated Anodyne COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OCC[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000008035679 KJ Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C\c2ccc(C(=O)N3[C@H](C(=O)OC)CC[C@H](C)[C@H]3c3ccc(C)cc3)cc2)[C@@H](CO)O1 ZINC000008035683 KJ Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H](O)COCc2ccco2)cc1 ZINC000008035684 KJ Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C\[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C\CC(=O)OC)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035691 KJ Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21)NS(=O)(=O)c1ccc(C)cc1 ZINC000008035693 KJ Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3/C(=N/O[C@@H](C)CN3CCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000008035707 KJ Annotated Mild CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000008035763 KJ Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)OC ZINC000008035764 KJ Annotated Mild O[C@@H](OCC(CO[C@H](O)C(Cl)(Cl)Cl)(CO[C@H](O)C(Cl)(Cl)Cl)CO[C@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000008214439 KJ Annotated Anodyne in-man CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C ZINC000008214829 KJ Annotated Anodyne in-vitro CCCCCCCCC/C=C/C=C/C=C/C(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C ZINC000008234257 KJ Annotated Mild in-vitro biogenic C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@]5(CCCCCCC[C@@H](C)[C@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000008234265 KJ Annotated Mild CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]4(O)CC(=O)C(C)=C[C@H]4C(=O)O3)O2)C[C@H](O)[C@@H]1C ZINC000008436967 KJ Annotated Mild in-vitro CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C3\CO[C@@H]4C(=O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000008436976 KJ Annotated Mild in-vitro COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000080900143 KJ Annotated Clean C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)O[C@@H]1C2 ZINC000082051636 KJ Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000082051637 KJ Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@H]3C[C@H]12 ZINC000082052212 KJ Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@H]3C[C@H]12 ZINC000082052215 KJ Annotated Mild CCOC(=O)[C@@]1(C(F)(F)F)Nc2cc(-c3ccc(Cl)cc3)nn2C(N)=C1P(=O)(OCC)OCC ZINC000082053324 KJ Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)F)Nc2cc(-c3ccc(Cl)cc3)nn2C(N)=C1P(=O)(OCC)OCC ZINC000082053326 KJ Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 ZINC000082053418 KJ Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 ZINC000082053420 KJ Annotated Reactive CCN1CCC(C#N)(NC(=O)[C@H](C[C@H](C)c2ccccc2OC)NC(=O)OCCC2CCCCC2)CC1 ZINC000082065625 KJ Annotated Mild COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082065874 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082065916 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065924 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065925 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065926 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082065967 KJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CC=CCC3)n2)cc1 ZINC000082066038 KJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066042 KJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CCCC3)n2)cc1 ZINC000082066107 KJ Annotated Anodyne CCN(CC)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066148 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066258 KJ Annotated Anodyne C=CCN(C)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066283 KJ Annotated Mild COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066285 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066293 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082066326 KJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N(C)C(C)C)n2)cc1 ZINC000082066353 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066358 KJ Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066517 KJ Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066519 KJ Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066661 KJ Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066662 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067169 KJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067184 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)O)cc2)cs1 ZINC000082069761 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(CO)cc2)cs1 ZINC000082069762 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1csc(-c2ccccc2OCC)n1)C(C)C ZINC000082070225 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2OCC)n1)C(C)C ZINC000082070227 KJ Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCc1ccccn1 ZINC000082070903 KJ Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCc1ccccn1 ZINC000082070904 KJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2ccccc2N)co1 ZINC000082071393 KJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2ccccc2N)co1 ZINC000082071395 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(CC)n1 ZINC000082071618 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(CC)n1 ZINC000082071621 KJ Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)OCCc3ccccn3)co2)cc1 ZINC000082071754 KJ Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)OCCc3ccccn3)co2)cc1 ZINC000082071758 KJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCc2ccccn2)co1 ZINC000082071810 KJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCc2ccccn2)co1 ZINC000082071811 KJ Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072894 KJ Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072897 KJ Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073564 KJ Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073567 KJ Annotated Anodyne CN(C)CCCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073569 KJ Annotated Anodyne CN(C)CCCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073574 KJ Annotated Anodyne CCCCOCCCNC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073797 KJ Annotated Anodyne CN(CC(=O)OCCc1ccccn1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074101 KJ Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074320 KJ Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074323 KJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000082076702 KJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000082076704 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081332 KJ Annotated Bother CCCCN(CCCC)CCNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081333 KJ Annotated Bother CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081432 KJ Annotated Bother CCCCN(CCCC)CCNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081433 KJ Annotated Bother COc1cccc(CNC(=O)c2ccc(CNC(=O)c3csc(Nc4ccccc4)n3)cc2)c1OC ZINC000082081748 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082337 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082339 KJ Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCC1CCCCC1 ZINC000082084377 KJ Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCC1CCCCC1 ZINC000082084378 KJ Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCC1CCCCC1 ZINC000082084447 KJ Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCC1CCCCC1 ZINC000082084448 KJ Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCC1CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084479 KJ Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCC1CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084480 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084503 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084504 KJ Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084652 KJ Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084653 KJ Annotated Mild CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082084678 KJ Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082084679 KJ Annotated Mild CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084706 KJ Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084707 KJ Annotated Mild Nc1ccccc1CNC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085942 KJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085943 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086040 KJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086041 KJ Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086196 KJ Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086197 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CO)Cc2ccccc2)cs1 ZINC000082088012 KJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CO)Cc2ccccc2)cs1 ZINC000082088013 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082088046 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082088047 KJ Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(F)ccc3C)nc(NCCCOC(C)C)c2cc1OC ZINC000082118490 KJ Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082118492 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082118493 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082118494 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2nccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000082118497 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2nccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000082118498 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118590 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118591 KJ Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(Cl)ccc3OC)nc(NCc3ccco3)c2cc1OC ZINC000082118648 KJ Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NCCCOC(C)C)c2cc1OC ZINC000082118670 KJ Annotated Anodyne COc1ccc(CCCC(=O)NCCCNc2nc(NCc3ccco3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000082118724 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118762 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118763 KJ Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NCc3ccco3)c2cc1OC ZINC000082118766 KJ Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082118796 KJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2cc(OC)c3ccccc3n2)nc2cc(OC)c(OC)cc12 ZINC000082119441 KJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000082119444 KJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000082119446 KJ Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)c3ccoc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000082119450 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082119459 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082119460 KJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)CCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000082119475 KJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000082119476 KJ Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccncc3)nc(NCc3cccs3)c2cc1OC ZINC000082119511 KJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000082119517 KJ Annotated Bother COc1cc2nc(NCCCCNC(=O)c3cc(F)ccc3C)nc(NCc3ccco3)c2cc1OC ZINC000082119830 KJ Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000082119840 KJ Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000082119841 KJ Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NCc3ccco3)c2cc1OC ZINC000082119844 KJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082119897 KJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000082119898 KJ Annotated Anodyne COc1ccccc1CNc1nc(NCCc2cccc(OC)c2OC)nc2cc(OC)c(OC)cc12 ZINC000082125862 KJ Annotated Anodyne COc1cccc(CNc2nc(NCCc3cccc(OC)c3OC)nc3cc(OC)c(OC)cc23)c1 ZINC000082125902 KJ Annotated Anodyne COc1ccccc1CNc1nc(N(C)CCc2ccc(OC)c(OC)c2)nc2cc(OC)c(OC)cc12 ZINC000082126488 KJ Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NC[C@H](C)O)c2cc1OC ZINC000082129357 KJ Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NC[C@@H](C)O)c2cc1OC ZINC000082129359 KJ Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCc3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000082130408 KJ Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082134941 KJ Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135222 KJ Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082135693 KJ Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082135694 KJ Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082135695 KJ Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3CCC(C)CC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082135713 KJ Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135730 KJ Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(SC)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000082136677 KJ Annotated Anodyne Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1 ZINC000082137897 KJ Annotated Anodyne C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(C#N)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1 ZINC000082137916 KJ Annotated Mild C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(C#N)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000082137917 KJ Annotated Mild COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000082137973 KJ Annotated Anodyne COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000082137978 KJ Annotated Anodyne CC(C)(C(=O)NCCn1cc(CO[P@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)N(Cc1ccccc1)C(=O)C(F)(F)F ZINC000082138020 KJ Annotated Mild CC(C)(C(=O)NCCn1cc(CO[P@@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)N(Cc1ccccc1)C(=O)C(F)(F)F ZINC000082138021 KJ Annotated Mild CC(C)[C@@H](Cn1cc(CO[P@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F ZINC000082138024 KJ Annotated Mild CC(C)[C@@H](Cn1cc(CO[P@@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F ZINC000082138025 KJ Annotated Mild C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CN ZINC000082139935 KJ Annotated Anodyne CCN(CC)CCCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000082140076 KJ Annotated Anodyne CCN(CC)CCCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000082140079 KJ Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@@]23CO[C@@](C)([C@H](OC(=O)c4ccccc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13 ZINC000082140410 KJ Annotated Mild C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@H](OC(C)=O)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@@H]2OC(C)=O)[C@H]13 ZINC000082140761 KJ Annotated Mild CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000082143149 KJ Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148431 KJ Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082148585 KJ Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149006 KJ Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149316 KJ Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149438 KJ Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149442 KJ Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149445 KJ Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082149576 KJ Annotated Bother O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000082149872 KJ Annotated Anodyne O=C(NCCc1cccc(F)c1)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150002 KJ Annotated Bother O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000082151080 KJ Annotated Anodyne CC(C)S(=O)(=O)c1ccc2cc1Nc1nc(ncc1Cl)Nc1ccc(N3CCN(C)CC3)c(c1)CC2 ZINC000082151210 KJ Annotated Anodyne COC1=CC(=O)O[C@]2(/C=C/c3ccc(OC)c(OC)c3)[C@H]1[C@H](c1ccc(OC)c(OC)c1)[C@H]2c1cc(OC)cc(=O)o1 ZINC000082151214 KJ Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@H]12 ZINC000082152308 KJ Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@H]12 ZINC000082152310 KJ Annotated Anodyne Cn1c(SCC(=O)O)nc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000082152659 KJ Annotated Anodyne O=C(N[C@H]1c2ccccc2OC/C=C/COc2cccc3c2[C@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000082153230 KJ Annotated Anodyne COc1ccc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000082153308 KJ Annotated Clean COc1ccc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000082153311 KJ Annotated Clean COc1cc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC ZINC000082153314 KJ Annotated Clean COc1cc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC ZINC000082153316 KJ Annotated Clean CCCC(=O)O[C@H]1[C@@H](C)C[C@@]2(OC(C)=O)[C@H]1[C@@H](OC(C)=O)[C@@]13CO[C@@](C)([C@H]2OC(=O)c2ccccc2)[C@@H]1[C@@H]1[C@H](C[C@H]3OC(C)=O)C1(C)C ZINC000082153880 KJ Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(C#N)cc1 ZINC000082154746 KJ Annotated Mild COc1cc2c(cc1OCCCCN1c3cccc4cccc(c34)S1(=O)=O)N=C[C@@H]1CCCN1C2=O ZINC000082155337 KJ Annotated Anodyne Cc1ccc(C(=O)Nc2c(NC(=O)CN(C)CCc3ccccn3)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000082155507 KJ Annotated Clean CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)Nc1ccc2ccccc2n1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC000082155553 KJ Annotated Anodyne CCO[P@](=O)(O)[C@H](NCCCCCCN[C@@H](c1ccccc1O)[P@@](=O)(O)OCC)c1ccccc1O ZINC000082156139 KJ Annotated Clean CCO[P@](=O)(O)[C@@H](NCCCCCCN[C@@H](c1ccccc1O)[P@@](=O)(O)OCC)c1ccccc1O ZINC000082156141 KJ Annotated Clean COc1cc2c(cc1OCCCCCN1c3cccc4cccc(c34)S1(=O)=O)N=C[C@@H]1CCCN1C2=O ZINC000082156231 KJ Annotated Anodyne CC(C)(N)CNC(=O)c1c(Nc2ccc(I)cc2Cl)sc2c1CC(C)(C)CNC2=O ZINC000082157589 KJ Annotated Anodyne CS(=O)(=O)Nc1cccc(S(=O)(=O)/N=C(\O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)c1 ZINC000082158081 KJ Annotated Mild CC(C)CCS(=O)(=O)NC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl ZINC000082158164 KJ Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccc(O)cc3O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082158419 KJ Annotated Clean CCN1CCN(C[C@@H]2S[C@@H](c3ccc(O)cc3O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082158420 KJ Annotated Clean CCN1CCN(C[C@H]2S[C@H](c3ccc(O)cc3O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082158421 KJ Annotated Clean CCN1CCN(C[C@@H]2S[C@H](c3ccc(O)cc3O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082158422 KJ Annotated Clean COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082159659 KJ Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082159660 KJ Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082159661 KJ Annotated Mild COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccccc3)s2)c1 ZINC000082162956 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccccc3)s2)c1 ZINC000082162958 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163637 KJ Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163669 KJ Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163670 KJ Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163706 KJ Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164554 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164557 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3ccc(NC(=O)CCN4CCOCC4)cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000082164597 KJ Annotated Mild O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc3cc(F)c(C(F)(F)P(=O)(O)O)cc3n2)cc1 ZINC000082164789 KJ Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccc(O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164806 KJ Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164808 KJ Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164810 KJ Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164813 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OCCN4CCN(C)CC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000082164888 KJ Annotated Mild CCN1CCN(C[C@H]2S[C@@H](c3ccccc3C(=O)O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165117 KJ Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccccc3C(=O)O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165122 KJ Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccccc3C(=O)O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165126 KJ Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccccc3C(=O)O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165129 KJ Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CP(=O)(O)O ZINC000082165162 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3ccc(NC(=O)CCN4CCN(C)CC4)cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000082165390 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@H](C)CC ZINC000082166813 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166816 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000082166820 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166822 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082166867 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082166870 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082166875 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082166878 KJ Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082166881 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082166883 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082166886 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082166889 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166961 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166963 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166967 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166969 KJ Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167002 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082167072 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082167077 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082167081 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082167087 KJ Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167088 KJ Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167090 KJ Annotated Anodyne COc1cc(-c2nc(N3CCC(O)CC3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082167176 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082167177 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082167179 KJ Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082167183 KJ Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082167186 KJ Annotated Anodyne COc1cc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082167187 KJ Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1OC ZINC000082167204 KJ Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082167205 KJ Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082167207 KJ Annotated Mild COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000082167208 KJ Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082167210 KJ Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082167211 KJ Annotated Mild COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1 ZINC000082167212 KJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000082167226 KJ Annotated Anodyne C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CN(C)C ZINC000082170219 KJ Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccc(C(=O)O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170244 KJ Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(C(=O)O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170247 KJ Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(C(=O)O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170250 KJ Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(C(=O)O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170254 KJ Annotated Anodyne CCC[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](Cc1nc(C2=N[C@@](C)(C3=N[C@@](C)(C(=O)N[C@@H]([C@@H](C)CC)[C@@H](O)[C@@H](C)C(=O)O)CS3)CS2)cs1)OC ZINC000082170270 KJ Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(=O)(=O)N=C(N)N)cc5)cc34)cc2)n1 ZINC000082171088 KJ Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082171993 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082171996 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172000 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172003 KJ Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000082172014 KJ Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000082172018 KJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082172478 KJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082172481 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082172519 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082172522 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082172524 KJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082172525 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172890 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172893 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172895 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172897 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000082172955 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000082172956 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000082172959 KJ Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000082172961 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173104 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173109 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173111 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173115 KJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173131 KJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173135 KJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173137 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173364 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173365 KJ Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082173579 KJ Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082173583 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000082173699 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000082173704 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000082173707 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000082173710 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000082173868 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000082173870 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000082173874 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000082173902 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000082173907 KJ Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000082173913 KJ Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000082173916 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082174281 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082174285 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082174327 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082174330 KJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174517 KJ Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174582 KJ Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174584 KJ Annotated Bother Cc1nc2ccc(S(=O)(=O)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2c(=O)n1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000082174746 KJ Annotated Anodyne COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1O ZINC000082174857 KJ Annotated Mild COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1O ZINC000082174860 KJ Annotated Mild CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082175151 KJ Annotated Mild CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082175155 KJ Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000082175235 KJ Annotated Clean CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000082175383 KJ Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000082175386 KJ Annotated Anodyne COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)ccc1O ZINC000082175548 KJ Annotated Mild COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)ccc1O ZINC000082175551 KJ Annotated Mild COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccccc3F)s2)c1 ZINC000082175733 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccccc3F)s2)c1 ZINC000082175735 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccccc3C)s2)c1 ZINC000082177450 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccccc3C)s2)c1 ZINC000082177451 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=S)NC)CC(C)(C)O2 ZINC000082177971 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=S)NC)CC(C)(C)O2 ZINC000082177974 KJ Annotated Anodyne COc1cc(-c2nc3c(NCc4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000082178258 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O ZINC000082178305 KJ Annotated Mild Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082178767 KJ Annotated Bother O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082179485 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082179511 KJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179535 KJ Annotated Clean O=C(OCCCCn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082179549 KJ Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082179677 KJ Annotated Anodyne C[C@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082179678 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180450 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180452 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180454 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180456 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082180584 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082180586 KJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082180588 KJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082180589 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082180591 KJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082180593 KJ Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000082180647 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCN2CCCCC2)cc1 ZINC000082180688 KJ Annotated Anodyne O=C(OCCCCn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000082180731 KJ Annotated Anodyne C/N=C(\S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082180896 KJ Annotated Mild C/N=C(\S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082180899 KJ Annotated Mild C/N=C(\S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082180903 KJ Annotated Mild C/N=C(\S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082180905 KJ Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=S)NC)CC1(CCCCC1)O2 ZINC000082181239 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=S)NC)CC1(CCCCC1)O2 ZINC000082181242 KJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082181549 KJ Annotated Clean Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)N=C(N)N)cc5)c4c3)cc2)n1 ZINC000082181590 KJ Annotated Mild CC(=O)OC[C@H]1O[C@@H](n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082181796 KJ Annotated Mild CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082181926 KJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082181927 KJ Annotated Anodyne CCNC(=S)/N=c1\sc(NCC)nc2sc3c(c12)CCN(N1CCc2c(sc4nc(NCC)s/c(=N\C(=S)NCC)c24)C1)C3 ZINC000082182056 KJ Annotated Anodyne COC(=O)/C=C(\CC(=O)OC)n1nnnc1[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000082182098 KJ Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)ccc(Cl)c34)cc2)n1 ZINC000082182150 KJ Annotated Clean CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182542 KJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182544 KJ Annotated Anodyne O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082184516 KJ Annotated Clean COC(=O)c1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082184934 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCCSCC2)cc1 ZINC000082185098 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)CC(=O)O)C[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000082185359 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)CC(=O)O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000082185362 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)CC(=O)O)C[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000082185365 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)CC(=O)O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000082185368 KJ Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082185491 KJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185607 KJ Annotated Clean C[n+]1c(-c2ccc(/C=N\NC(=O)c3ccc(C(=O)N/N=C/c4ccc(-c5cn6ccsc6[n+]5C)cc4)cc3)cc2)cn2ccsc21 ZINC000082185787 KJ Annotated Reactive CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCOC ZINC000082186276 KJ Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2CCCCOC(=O)C(F)(F)F ZINC000082186360 KJ Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082186464 KJ Annotated Clean in-vitro C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082186467 KJ Annotated Clean in-vitro Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)ccc(Cl)c34)cc2)n1 ZINC000082187022 KJ Annotated Mild O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082187095 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082187159 KJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187216 KJ Annotated Clean O=C(OCCCCn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082187249 KJ Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082187517 KJ Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082187519 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082188026 KJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082188027 KJ Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189068 KJ Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189638 KJ Annotated Anodyne COc1cc(-c2nc3c(NCc4cccs4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000082190070 KJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190227 KJ Annotated Clean C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)c(I)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000082190350 KJ Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)N=C(N)N)cc5)c5ccccc5nc34)cc2)n1 ZINC000082190578 KJ Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000082190748 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000082190751 KJ Annotated Anodyne C=C(C1=CC(=O)C(C)(C)O1)[C@@H]1CC=C([C@@H]2CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C[C@]32C)[C@H](O)O1 ZINC000082190788 KJ Annotated Mild C=C(C1=CC(=O)C(C)(C)O1)[C@@H]1CC=C([C@@H]2CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)[C@H](OC(=O)C[C@](C)(O)CC(=O)O)C[C@]32C)[C@H](O)O1 ZINC000082190791 KJ Annotated Mild CCN1CCN(C[C@H]2S[C@@H](c3cccc(O)c3O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082190809 KJ Annotated Clean CCN1CCN(C[C@@H]2S[C@@H](c3cccc(O)c3O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082190812 KJ Annotated Clean CCN1CCN(C[C@H]2S[C@H](c3cccc(O)c3O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082190818 KJ Annotated Clean CCN1CCN(C[C@@H]2S[C@H](c3cccc(O)c3O)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082190822 KJ Annotated Clean NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2CCc1ccccc1F ZINC000082190853 KJ Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000082190882 KJ Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000082190885 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082190945 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082190950 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000082190959 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000082190964 KJ Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2CCc2cccc(F)c2)cc1 ZINC000082191029 KJ Annotated Anodyne COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)Sc1c2ss/c1=N\c1ccc(Cl)cc1 ZINC000082191267 KJ Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2Cc2ccccc2Cl)cc1 ZINC000082191287 KJ Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2Cc2ccccc2Cl)c1 ZINC000082191290 KJ Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3cc(F)c(Cl)cc3Cl)cs2)CC1 ZINC000082193152 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082193279 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082193281 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082193284 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082193287 KJ Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1C(F)(F)F)C3 ZINC000082196095 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000082196507 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000082196510 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082196524 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000082196541 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000082196542 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000082196543 KJ Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000082196544 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000082196545 KJ Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000082196546 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000082196564 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000082196565 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000082196566 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000082196567 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082196598 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082196599 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082196600 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082196601 KJ Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000082196817 KJ Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)N=C(N)N)cc5)cccc34)cc2)n1 ZINC000082196949 KJ Annotated Mild CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197009 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197010 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197011 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197012 KJ Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197013 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197014 KJ Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197015 KJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197016 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000082197172 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000082197173 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000082197176 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000082197178 KJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197258 KJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197259 KJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197260 KJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197261 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000082197375 KJ Annotated Mild COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000082197377 KJ Annotated Mild COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000082197379 KJ Annotated Mild COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000082197380 KJ Annotated Mild N#CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082197491 KJ Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082197492 KJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082197493 KJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082197494 KJ Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082197932 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082197933 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082197934 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082197935 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000082197936 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000082197937 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000082197938 KJ Annotated Clean CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000082197939 KJ Annotated Clean CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198268 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198269 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198270 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198271 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198288 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198289 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198290 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198291 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198304 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198305 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198306 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198307 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198332 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198333 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198334 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198335 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198348 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198349 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198350 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198351 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198502 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198503 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198504 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198505 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198616 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198617 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198618 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198619 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198980 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198981 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198982 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198983 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199007 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199008 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199009 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199010 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199017 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199018 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199019 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199020 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199194 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199195 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199196 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199197 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199218 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199219 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199220 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199221 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082199226 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082199227 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082199228 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082199229 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199262 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199263 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199264 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199265 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199428 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199429 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199430 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199431 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199556 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199557 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199558 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199559 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199560 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199561 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199562 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199563 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199576 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199577 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199578 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199579 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199580 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199581 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199582 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199583 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199595 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199597 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199601 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199603 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199613 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199616 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199619 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199621 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199624 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199626 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199628 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199631 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199632 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199635 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199637 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199640 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199744 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199746 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199749 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199751 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199986 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199987 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199988 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082199990 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082200012 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082200013 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082200014 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082200015 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082200701 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082200706 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082200707 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082200709 KJ Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082204967 KJ Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000082204988 KJ Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000082204993 KJ Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000082204994 KJ Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205656 KJ Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H]2CCCC[C@H]2N3)c1 ZINC000082205780 KJ Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205812 KJ Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H]2CCCC[C@H]2N3)c1 ZINC000082205895 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205918 KJ Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082206049 KJ Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206561 KJ Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206564 KJ Annotated Anodyne C[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207186 KJ Annotated Anodyne C[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207188 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207440 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207445 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207448 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207451 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207489 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207492 KJ Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207671 KJ Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207674 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208354 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208359 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208363 KJ Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082208868 KJ Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082208870 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000082208991 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000082208995 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000082208998 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000082209002 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082209005 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082209007 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082209011 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082209014 KJ Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000082209074 KJ Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000082209077 KJ Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000082209080 KJ Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000082209083 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082209416 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082209420 KJ Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082209586 KJ Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082209589 KJ Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2)c1ccco1 ZINC000082210172 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082210576 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082210577 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082210581 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082210584 KJ Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2)c1ccccc1 ZINC000082210625 KJ Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2)c1ccccc1 ZINC000082210629 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082210895 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082210899 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082210902 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082210905 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC000082211099 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC000082211100 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2SC)cc1 ZINC000082211565 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2SC)cc1 ZINC000082211568 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2SC)cc1 ZINC000082211572 KJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2SC)cc1 ZINC000082211575 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082211614 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082211618 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082211623 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082211626 KJ Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082211657 KJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082211658 KJ Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082211662 KJ Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2)c1ccncc1 ZINC000082211905 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000082211931 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000082211934 KJ Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212211 KJ Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212214 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000082212227 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000082212232 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082212257 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082212263 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082212267 KJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082212273 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082212424 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082212430 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000082212442 KJ Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000082212446 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000082212452 KJ Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000082212456 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000082212558 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000082212562 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1N ZINC000082212566 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1N ZINC000082212571 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000082213161 KJ Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000082213162 KJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082213183 KJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082213184 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082213294 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082213295 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082213296 KJ Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000082213403 KJ Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000082213404 KJ Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000082213405 KJ Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000082213406 KJ Annotated Mild COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCO)ccc2c1 ZINC000082213482 KJ Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCO)ccc2c1 ZINC000082213483 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCO)ccc2c1 ZINC000082213484 KJ Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCO)ccc2c1 ZINC000082213485 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000082213524 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000082213525 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000082213526 KJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000082213527 KJ Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082213596 KJ Annotated Mild COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082213597 KJ Annotated Mild COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082213598 KJ Annotated Mild COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082213599 KJ Annotated Mild CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213621 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213622 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213623 KJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213624 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1OC ZINC000082213625 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1OC ZINC000082213626 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1OC ZINC000082213627 KJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1OC ZINC000082213628 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1 ZINC000082213629 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1 ZINC000082213630 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1 ZINC000082213631 KJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)c1 ZINC000082213632 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)cc(OC)c1 ZINC000082213633 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)cc(OC)c1 ZINC000082213634 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)cc(OC)c1 ZINC000082213635 KJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)cc(OC)c1 ZINC000082213636 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082213656 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082213657 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082213658 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082213659 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082213660 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082213661 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082213669 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082213670 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082213671 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082213672 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082213677 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082213678 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082213679 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082213680 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000082213681 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000082213682 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000082213683 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000082213684 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082213685 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082213686 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082213687 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082213688 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082213853 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082213854 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082213855 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082213856 KJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082213873 KJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082213874 KJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082213875 KJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082213876 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213877 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213878 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213879 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213880 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000082213904 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000082213905 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082213906 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082213907 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)c1 ZINC000082214081 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)c1 ZINC000082214082 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)c1 ZINC000082214083 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)c1 ZINC000082214084 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214108 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214109 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214110 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082214187 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082214188 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082214189 KJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082214190 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082214404 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082214405 KJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082214406 KJ 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)Cc3ccccc3OC)C2)c1 ZINC000082214454 KJ 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)Cc3ccccc3OC)C2)c1 ZINC000082214455 KJ 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)c3cccnc3SC)C2)c1 ZINC000082214469 KJ 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)c3cccnc3SC)C2)c1 ZINC000082214470 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214471 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214472 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214473 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(N)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214474 KJ Annotated Clean COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(N)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214475 KJ Annotated Clean COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(N)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214476 KJ Annotated Clean COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214489 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214490 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214491 KJ Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214800 KJ Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216897 KJ Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216920 KJ Annotated Bother CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082218450 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000082218452 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218507 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218510 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218513 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218515 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000082218597 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000082218599 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000082218600 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000082218602 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000082218730 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000082218734 KJ Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000082218736 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082218858 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082218861 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082218863 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082218867 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218896 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218898 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218901 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218905 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCSC ZINC000082219067 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCSC ZINC000082219069 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCSC ZINC000082219070 KJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCSC ZINC000082219073 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219301 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219304 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219306 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219308 KJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082219353 KJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082219355 KJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082219357 KJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082219360 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082220275 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082220277 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082220280 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082220281 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCSC)c1 ZINC000082220469 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCSC)c1 ZINC000082220470 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCSC)c1 ZINC000082220473 KJ Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCSC)c1 ZINC000082220474 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1SC ZINC000082220513 KJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1SC ZINC000082220516 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1SC ZINC000082220518 KJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1SC ZINC000082220520 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082220587 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082220589 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082220590 KJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082220591 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCSC ZINC000082220639 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCSC ZINC000082220641 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCSC ZINC000082220644 KJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCSC ZINC000082220646 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCSC)OCC ZINC000082220671 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCSC)OCC ZINC000082220673 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCSC)OCC ZINC000082220676 KJ Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCSC)OCC ZINC000082220678 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082220884 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082220886 KJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082220888 KJ Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082220890 KJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000082221467 KJ Annotated Bother O=C(c1ccc(OC(F)(F)F)cc1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222864 KJ Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C3 ZINC000082222888 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082224363 KJ Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082224365 KJ Annotated Anodyne C[C@@H]1CCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000082231342 KJ Annotated Anodyne C[C@H]1CCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000082231343 KJ Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231714 KJ Annotated Anodyne C/C=C/[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(ccc([C@@H]2C[C@@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)c1O)C3=O ZINC000083922830 KJ Annotated Clean in-vitro C/C=C/[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(ccc([C@@H]2C[C@@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)c1O)C3=O ZINC000083922832 KJ Annotated Clean in-vitro C/C=C/[C@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(ccc([C@@H]2C[C@@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)c1O)C3=O ZINC000083922834 KJ Annotated Clean in-vitro C/C=C/[C@@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(ccc([C@@H]2C[C@@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)c1O)C3=O ZINC000083922837 KJ Annotated Clean in-vitro CC1=C[C@H]2C(=O)O[C@@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000083923862 KJ Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000083923864 KJ Annotated Anodyne in-vitro CO[C@@H]([C@H](C)[C@@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@H]([C@H]5O[C@](C)(O)[C@@H](C)C[C@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@@H]1C)[C@@H](C)C(=O)O ZINC000083923937 KJ Annotated Anodyne in-vitro CO[C@@H]([C@H](C)[C@@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@H]([C@H]5O[C@](C)(O)[C@@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@@H]1C)[C@@H](C)C(=O)O ZINC000083923941 KJ Annotated Anodyne in-vitro CO[C@@H]([C@H](C)[C@@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@@H]1C)[C@@H](C)C(=O)O ZINC000083923945 KJ Annotated Anodyne in-vitro CO[C@@H]([C@H](C)[C@@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@@H]1C)[C@@H](C)C(=O)O ZINC000083923948 KJ Annotated Anodyne in-vitro C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000084153897 KJ Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084153920 KJ Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000084153927 KJ Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084154251 KJ Annotated Anodyne in-vitro biogenic O=C(Nc1cc(Br)c(O)c(Br)c1)C(=O)Nc1cc(Br)c(O)c(Br)c1 ZINC000084415179 KJ Annotated Anodyne CNNC(/N=C\c1ccc([N+](=O)[O-])s1)=N/S(=O)(=O)c1cc(C)c(Cl)cc1SCc1ccccc1 ZINC000084460283 KJ Annotated Mild CNNC(=NS(=O)(=O)c1cc(C)c(Cl)cc1SCc1ccccc1)/N=C/c1ccc([N+](=O)[O-])s1 ZINC000084460287 KJ Annotated Mild CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000084466470 KJ Annotated Anodyne CC(C)=C[C@H]1C=C([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)C(=O)O1 ZINC000084577603 KJ Annotated Anodyne CN(C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1)C1C2CC3CC(C2)CC1C3 ZINC000084586780 KJ Annotated Anodyne CO[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1noc(-c2ccccc2CCNC(C)=O)c1Br ZINC000084586866 KJ Annotated Anodyne COC[C@H](C)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2noc(-c3ccccc3CCNC(C)=O)c2Br)cc1 ZINC000084586875 KJ Annotated Anodyne O=C(N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1)N(C1CCCCCC1)C1CC1 ZINC000084586887 KJ Annotated Anodyne Cn1cc(C(=O)N2CCC(c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)n1 ZINC000084587363 KJ Annotated Anodyne CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1Br ZINC000084587689 KJ Annotated Anodyne COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3ccc4c(c3)CCC4)nn2)ccc1-n1cnc(C)c1 ZINC000084596652 KJ Annotated Anodyne CC(=O)[C@]1(OC(=O)CCCC(=O)O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)CCCC(=O)O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084597106 KJ 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@H](Cl)[C@H](Cl)c1ccccc1 ZINC000084602270 KJ 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@@H](Cl)[C@H](Cl)c1ccccc1 ZINC000084602272 KJ 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@H](Cl)[C@@H](Cl)c1ccccc1 ZINC000084602274 KJ 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@@H](Cl)[C@@H](Cl)c1ccccc1 ZINC000084602276 KJ Annotated Reactive COc1ccc([C@H](Nc2cc(CS(=O)(=O)/C=C/c3c(OC)cc(OC)cc3OC)ccc2OC)C(=O)O)cc1 ZINC000084602532 KJ Annotated Anodyne COc1ccc([C@@H](Nc2cc(CS(=O)(=O)/C=C/c3c(OC)cc(OC)cc3OC)ccc2OC)C(=O)O)cc1 ZINC000084602535 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](C(C)C)N[C@H](C)CCCCCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000084602674 KJ Annotated Mild Cc1cc2c(-c3ccc[nH]c3=O)c(/C(O)=N/S(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F ZINC000084603192 KJ Annotated Mild COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@H](C(=O)O)c3ccc(F)cc3)c2)c(OC)c1 ZINC000084603364 KJ Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C(=O)O)c3ccc(F)cc3)c2)c(OC)c1 ZINC000084603367 KJ Annotated Anodyne CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C(C)C)n2Cc1cc(F)ccc1F ZINC000084604982 KJ Annotated Mild COC(=O)[C@@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(F)cc1 ZINC000084614542 KJ Annotated Anodyne COC(=O)[C@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(F)cc1 ZINC000084614545 KJ Annotated Anodyne COC(=O)[C@@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(OC)cc1 ZINC000084614964 KJ Annotated Anodyne COC(=O)[C@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(OC)cc1 ZINC000084614966 KJ Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@H](C(=O)O)c3ccccc3)c2)c(OC)c1 ZINC000084615088 KJ Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C(=O)O)c3ccccc3)c2)c(OC)c1 ZINC000084615090 KJ Annotated Anodyne COC(=O)[C@@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccccc1 ZINC000084615424 KJ Annotated Anodyne COC(=O)[C@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccccc1 ZINC000084615426 KJ Annotated Anodyne CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C(=O)Nc2ncc(F)s2)c1 ZINC000084615546 KJ Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H](C(F)(F)F)CCN(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084616181 KJ Annotated Anodyne O=C(c1cc(O)c(O)c(Br)c1Br)c1cc(O)c(O)c(Br)c1Br ZINC000084616634 KJ Annotated Clean CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C ZINC000084617144 KJ Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)COc5ccccc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084617220 KJ Annotated Anodyne CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CC[C@H](F)C3)cc2)cc(C(=O)Nc2cc(C)n(C)n2)c1 ZINC000084617230 KJ Annotated Anodyne CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CC[C@H](F)C3)cc2)cc(C(=O)Nc2ccn(C)n2)c1 ZINC000084617231 KJ Annotated Anodyne CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 ZINC000084617343 KJ Annotated Anodyne CC(C)[C@H](C(=O)N1CCC(NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084617423 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)n(C)c3ccccc23)cc1 ZINC000084617622 KJ Annotated Anodyne Cc1cc(C[C@@H](CC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12 ZINC000084617730 KJ Annotated Anodyne Cc1cc(C[C@H](CC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12 ZINC000084617732 KJ Annotated Anodyne CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C ZINC000084617770 KJ Annotated Anodyne Cc1nc(Br)sc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084632681 KJ Annotated Anodyne COc1ccc(-c2ccc3nc(N[C@H](C)c4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cc1S(C)(=O)=O ZINC000084633081 KJ Annotated Anodyne COC(=O)c1cc(OC)c2c(c1-c1c(/C=C(\C#N)C(=O)c3ccc(C)cc3)cc(OC)c3c1OCO3)OCO2 ZINC000084633605 KJ Annotated Reactive CC(=O)[C@]1(O)CC[C@]23OC(C)(C)O[C@]24CC=C2C[C@@H](O)CC[C@]2(C)[C@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]13C ZINC000084633663 KJ Annotated Anodyne CC1(Oc2nc(NCc3ccc(-n4cncn4)cc3)nc3ccc(-c4ccc(OC5CC5)nc4)nc23)CC1 ZINC000084633678 KJ Annotated Anodyne Cn1c(SCC(=O)[C@@]2(O)CC[C@@]3(C)[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21 ZINC000084634277 KJ Annotated Mild Cc1ccc2nc(N(C)C)nc(NCc3ccc(C(=O)N4CCC(C(=O)NCc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084634538 KJ Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3cc(C4OCOCO4)nc4ccccc34)C[C@@H]1O2 ZINC000084634778 KJ Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3cc(C4OCOCO4)nc4ccccc34)C[C@@H]1O2 ZINC000084634780 KJ Annotated Anodyne O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC000084635306 KJ Annotated Anodyne COc1cc([C@H]2/C(=C/c3cccc4c3OCO4)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084635341 KJ Annotated Mild COc1cc([C@@H]2/C(=C/c3cccc4c3OCO4)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084635344 KJ Annotated Mild COc1cc(-c2cn([C@H]3C[C@@H](c4ccccc4)CCN(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084635480 KJ Annotated Anodyne O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000084635660 KJ Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H](C(C)(C)C)CCN(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084635915 KJ Annotated Anodyne CC(C)[C@H](C(=O)N1CCC(NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2C1=O ZINC000084635954 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](C(C)C)N[C@@H](C)CCCCCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000084641193 KJ Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(OC(C)=O)c(OC)cc3c1[C@H](CC2)N(C(=O)C(F)(F)F)C=C3 ZINC000084651951 KJ Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ncccn1 ZINC000084652045 KJ Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc5cn[nH]c5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084652088 KJ Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc5[nH]ncc5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084652089 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCOC(=O)c3cc(OC(C)=O)c4c(c3)C(=O)c3cccc(OC(C)=O)c3C4=O)ccc2c1 ZINC000084652145 KJ Annotated Clean COc1ccc2cc([C@@H](C)C(=O)OCCOC(=O)c3cc(OC(C)=O)c4c(c3)C(=O)c3cccc(OC(C)=O)c3C4=O)ccc2c1 ZINC000084652146 KJ Annotated Clean O=C(O)[C@@H]1CSc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc34)c(CN3CCOCC3)c(=O)n21 ZINC000084652461 KJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccs3)c(Cc3cccc4ccccc34)c(CN3CCOCC3)c(=O)n21 ZINC000084652462 KJ Annotated Anodyne Cn1cc(-c2c(COc3cccc4ccccc34)c(CO)c(=O)n3c2SC[C@H]3C(=O)O)c2ccccc21 ZINC000084652463 KJ Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](OC(=O)c2cccnc2)[C@@]23CO[C@@](C)([C@H](OC(=O)c4cccnc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13 ZINC000084652584 KJ Annotated Mild C[C@H]1C[C@@H](C)/C=C(\CO)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O1 ZINC000084652699 KJ Annotated Anodyne in-vitro COc1cc(C2=NO[C@H](C(=O)Nc3c(C)cc(Cl)cc3C(=O)NC3CCCCC3)C2)cc(OC)c1OC ZINC000084652795 KJ Annotated Anodyne COc1cc(C2=NO[C@@H](C(=O)Nc3c(C)cc(Cl)cc3C(=O)NC3CCCCC3)C2)cc(OC)c1OC ZINC000084652796 KJ Annotated Anodyne COc1cc(-c2nnc(SCc3ccccc3Cl)n2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000084653177 KJ Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@H]5[C@H](C(=C)C)C[C@H](O)[C@]5(C(=O)O)CC[C@]42C)OC(=O)C[C@@H](O)[C@@]13C ZINC000084653506 KJ Annotated Mild CC(C)Cc1ccc([C@@H](C)C(=O)OCCOC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 ZINC000084653873 KJ Annotated Clean CC(C)Cc1ccc([C@H](C)C(=O)OCCOC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 ZINC000084653874 KJ Annotated Clean CC(C)Cc1ccc([C@@H](C)C(=O)OCCOCCOC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 ZINC000084653875 KJ Annotated Clean CC(C)Cc1ccc([C@H](C)C(=O)OCCOCCOC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 ZINC000084653876 KJ Annotated Clean COc1c(Cl)cc([C@@H]2C(C(=O)O)=CNC(C(OC)OC)=C2C(=O)OC/C=C/c2ccccc2)cc1Cl ZINC000084654150 KJ Annotated Anodyne COc1c(Cl)cc([C@H]2C(C(=O)O)=CNC(C(OC)OC)=C2C(=O)OC/C=C/c2ccccc2)cc1Cl ZINC000084654151 KJ Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)OCCOCCOCCOC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 ZINC000084654281 KJ Annotated Clean CC(C)Cc1ccc([C@H](C)C(=O)OCCOCCOCCOC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 ZINC000084654284 KJ Annotated Clean CSc1ccccc1Nc1nc(N2CCC(C3CCNCC3)CC2)nc2c(NCC3CC3)ncnc12 ZINC000084654289 KJ Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc(O)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084654473 KJ Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc(O)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084654475 KJ Annotated Reactive COc1cc(N2C(=O)N(c3ccc(-c4cccc(C(=O)O)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084654642 KJ Annotated Anodyne COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(/C(C)=N/CCCCS(=O)(=O)O)=C(C)C2 ZINC000084655049 KJ Annotated Mild CN1CCOCCN(C)S(=O)(=O)/N=C(\O)c2ccc3c(C4CCCCC4)c4n(c3c2)CC(=Cc2cc(F)ccc2-4)C1=O ZINC000084655334 KJ Annotated Anodyne N/C(=N\S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(Cl)cc1SCc1ccc2c(c1)OCO2)NO ZINC000084668470 KJ Annotated Mild COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2ccncc2)cc1)C(C)(C)C ZINC000084668484 KJ Annotated Reactive COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@H](c2cc(Cl)cc(Cl)c2)C(C(=O)O)=CN1 ZINC000084668498 KJ Annotated Anodyne COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2cc(Cl)cc(Cl)c2)C(C(=O)O)=CN1 ZINC000084668499 KJ Annotated Anodyne COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)O)=CN1 ZINC000084668500 KJ Annotated Anodyne COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)O)=CN1 ZINC000084668501 KJ Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccccc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084668559 KJ Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccccc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084668560 KJ Annotated Reactive CN(C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000084668944 KJ Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4csc(C(=O)O)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084668975 KJ Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3Cl)C[C@@H]1[S@]2=O ZINC000084669410 KJ Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3Cl)C[C@@H]1[S@@]2=O ZINC000084669411 KJ Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccc(Cl)cc3)C[C@@H]1[S@]2=O ZINC000084669416 KJ Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccc(Cl)cc3)C[C@@H]1[S@@]2=O ZINC000084669417 KJ Annotated Anodyne COc1cc(CSc2cc(Cl)c(-c3nnc(-c4ccccc4)s3)cc2S(=O)(=O)/N=C(\N)NO)cc(OC)c1OC ZINC000084669564 KJ Annotated Mild COc1cc(N2C(=O)N(c3ccc(-c4ccc(-c5cc(O)n[nH]5)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084669747 KJ Annotated Anodyne Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4Cl)C[C@@H]2[S@]3=O)ccc1O ZINC000084669890 KJ Annotated Anodyne Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4Cl)C[C@@H]2[S@@]3=O)ccc1O ZINC000084669891 KJ Annotated Anodyne CCCC(=O)OC[C@H]1CN(c2ccc(N3CCC4(CC3)[C@@H]3CC[C@H]4N(C(=O)OC(C)(C)C)O3)c(F)c2)C(=O)O1 ZINC000084669979 KJ Annotated Anodyne CCCC(=O)OC[C@H]1CN(c2ccc(N3CCC4(CC3)[C@@H]3CC[C@H]4ON3C(=O)OC(C)(C)C)c(F)c2)C(=O)O1 ZINC000084669980 KJ Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(-c4ccn[nH]4)cc3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084670082 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](SC(=S)C2=C(Nc3ccc(Cl)cc3)CC(C)(C)CC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000084670170 KJ Annotated Mild C=C(C)[C@@H]1C[C@H](O)[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)[C@@H](CC(=O)O)OC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000084670425 KJ Annotated Mild Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3cccc(Cl)c3)C[C@@H]1[S@]2=O ZINC000084670559 KJ Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3cccc(Cl)c3)C[C@@H]1[S@@]2=O ZINC000084670560 KJ Annotated Anodyne O=C(CN1CCCCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CN4CCCCC4)cc3c2c1 ZINC000084670677 KJ Annotated Anodyne Brc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000084670809 KJ Annotated Mild Cc1nc2ccc(CNS(=O)(=O)N3CCN(/C(C=N)=C(\OCC4(C)CC4)C(=O)Nc4cccc(Cl)c4)CC3)cc2s1 ZINC000084671100 KJ Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cn(Cc6ccc(Cl)cc6Cl)nn5)c4[C@]2(CCN3C)CC1=O ZINC000084687403 KJ Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cn(Cc6ccc(C(C)(C)C)cc6)nn5)c4[C@]2(CCN3C)CC1=O ZINC000084687405 KJ Annotated Mild CN(Cc1cccc(F)c1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F ZINC000084688022 KJ Annotated Bother COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cn(Cc6c(Cl)cccc6Cl)nn5)c4[C@]2(CCN3C)CC1=O ZINC000084688041 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(COCc3ccccc3)nn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084689050 KJ Annotated Mild C[C@@H]1Cc2ccccc2N1C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F ZINC000084689787 KJ Annotated Bother C[C@H]1Cc2ccccc2N1C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F ZINC000084689788 KJ Annotated Bother CN(Cc1ccccc1F)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F ZINC000084689790 KJ Annotated Bother COc1cccc([C@H]2O[C@H](CCn3cc(CC(=O)O)nn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084690773 KJ Annotated Anodyne CCCSc1nc2ccc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(=O)O)C(=O)O)cc3)cc2s1 ZINC000084703625 KJ Annotated Anodyne COc1cccc([C@H]2O[C@H](CCn3nnc(C(C)(C)C(=O)O)n3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084704197 KJ Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1ccncn1 ZINC000084704797 KJ Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3ccncn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 ZINC000084704800 KJ Annotated Anodyne O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084704945 KJ Annotated Anodyne NC(=O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(OCCCN5CCOCC5)cc4)C3=O)o2)c1 ZINC000084705102 KJ Annotated Clean COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4F)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084705796 KJ Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084705800 KJ Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)s4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084706081 KJ Annotated Anodyne CCCCN(CCCOc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706915 KJ Annotated Anodyne CCCCN(CCCOc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706917 KJ Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ccc(O)nn1 ZINC000084707979 KJ Annotated Anodyne C/C1=C/[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)[C@H]1O ZINC000084708084 KJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@@H](O)[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000084708844 KJ Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)[C@@H](O)[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000084708845 KJ Annotated Mild Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cc(=O)cc[nH]1 ZINC000084709038 KJ Annotated Anodyne COc1cc(-c2nnc(SCC(=O)c3ccc(Br)cc3)n2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000084709183 KJ Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084709211 KJ Annotated Anodyne CN1C/C=C/CCNC(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)/C(O)=N/S1(=O)=O ZINC000084710239 KJ Annotated Anodyne CN1CCCCCNC(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)/C(O)=N/S1(=O)=O ZINC000084710241 KJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000084710528 KJ Annotated Mild COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)c(C)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084710679 KJ Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(C3CCCCC3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084710681 KJ Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1cnccn1 ZINC000084710997 KJ Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3cnccn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 ZINC000084710999 KJ Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc([N+](=O)[O-])cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711206 KJ Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc([N+](=O)[O-])cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711208 KJ Annotated Reactive COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc(N(C)C)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711210 KJ Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc(N(C)C)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711212 KJ Annotated Reactive COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc4c(c3)OCO4)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711730 KJ Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc4c(c3)OCO4)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711733 KJ Annotated Reactive COc1cccc([C@H]2O[C@H](CCn3nnc(COC(C)(C)C(=O)O)n3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084712249 KJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cn(CC4CC4)nn3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21 ZINC000084712563 KJ Annotated Anodyne COc1cccc([C@H]2O[C@H](CCn3nncc3CC(=O)O)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084713011 KJ Annotated Anodyne COc1cccc([C@H]2O[C@H](CCn3cc(COCC(=O)O)nn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084713013 KJ Annotated Anodyne COc1ccc2c(c1)C[C@H]1Cn3c-2c(C2CCCCC2)c2ccc(cc23)/C(O)=N\S(=O)(=O)N(C)CCOCCN(C)C1=O ZINC000084714170 KJ Annotated Anodyne O=C1O[C@H](OCCCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12 ZINC000084723252 KJ Annotated Anodyne Cn1c(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc(-c2ccccc2)c(C#N)c1=O ZINC000084723607 KJ Annotated Mild COc1cc(N2C(=O)N(c3ccc(-c4ccc5nc[nH]c5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084724087 KJ Annotated Anodyne O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccccc2)N1CCCn1cnc2c(OCc3ccccc3)ncnc21 ZINC000084724562 KJ Annotated Anodyne CN1CCC(Nc2nc(N/N=C/c3nccn3Cc3cccc(Cl)c3Cl)nc3ccccc23)CC1 ZINC000084724745 KJ Annotated Mild Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc4scnc4c3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084725498 KJ Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc(C#N)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084725502 KJ Annotated Mild Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1ncccn1 ZINC000084725906 KJ Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3ncccn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 ZINC000084725908 KJ Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H]1O ZINC000084726614 KJ Annotated Anodyne in-vitro C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)[C@H]1O ZINC000084726620 KJ Annotated Anodyne in-vitro COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084727213 KJ Annotated Anodyne COc1nccnc1N1C(=O)N(c2ccc(-c3ccc(C(=O)O)cc3C)cc2)C(=O)C12CCN(Cc1ncccc1C)CC2 ZINC000084727329 KJ Annotated Anodyne CN1CCCCNC(=O)COc2ccccc2-c2c(C3CCCCC3)c3ccc(cc3n2C)/C(O)=N/S1(=O)=O ZINC000084727670 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]13Cn1c-2c(C2CCCCC2)c2ccc(cc21)/C(O)=N/S(=O)(=O)N(C)CCOCCN(C)C3=O ZINC000084727892 KJ Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cccc(=O)[nH]1 ZINC000084729116 KJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]13Cn1c-2c(C2CCCCC2)c2ccc(cc21)/C(O)=N/S(=O)(=O)N(C)CCOCCN(C)C3=O ZINC000084729174 KJ Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]13Cn1c-2c(C2CCCCC2)c2ccc(cc21)/C(O)=N/S(=O)(=O)N(C)CCOCCN(C)C3=O ZINC000084729175 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCC/C=C/c1cc3ccccc3nc1O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000084729295 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCC/C=C/c1nc3ccccc3cc1O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000084729302 KJ Annotated Mild Cc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F ZINC000084729386 KJ Annotated Mild CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H]([C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1C(C)=O ZINC000084729471 KJ Annotated Mild CCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H]([C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1C(C)=O ZINC000084729473 KJ Annotated Mild CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H]([C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1C(C)=O ZINC000084729476 KJ Annotated Mild CCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H]([C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1C(C)=O ZINC000084729481 KJ Annotated Mild O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084729637 KJ Annotated Anodyne Cc1c(Cl)ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(=O)N(CCCCN2CCCC2)Cc2ccc(C(=N)N)cc2)c1Cl ZINC000084731143 KJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(-c3ccc(-n4cnc5c(N)ncnc54)cc3)nn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084731704 KJ 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](CCC(C)(C)O)OC(C)=O)CC[C@@]12O ZINC000084731719 KJ Annotated Anodyne COCCN(CC1CCOCC1)c1c(SC)nn2c(-c3c(OC)cc(COC)cc3OC)cccc12 ZINC000084732746 KJ Annotated Anodyne COC(=O)CN(C[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000084733894 KJ Annotated Anodyne COC(=O)CN(C[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000084733902 KJ Annotated Anodyne NCc1ccc(CNC(=O)c2cccc(-c3noc(CN(Cc4ccccn4)S(=O)(=O)/C=C/c4ccccc4)n3)c2)cc1 ZINC000084739240 KJ Annotated Anodyne CCCC(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)CCC)cc(OC)c3c1OCO3)OCO2 ZINC000084739514 KJ Annotated Anodyne CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084739789 KJ Annotated Anodyne CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084739795 KJ Annotated Anodyne COc1cc(COC(=O)C=C(C)C)c(-c2c(COC(=O)C=C(C)C)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084740251 KJ Annotated Anodyne COCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4(O)CC4)c(SC)nn23)c(OC)c1 ZINC000084740502 KJ Annotated Anodyne COCc1cc(OC)c(-c2cccc3c(N(CC4CC4)C[C@@H]4COCCO4)c(SC)nn23)c(OC)c1 ZINC000084740509 KJ Annotated Anodyne COCc1cc(OC)c(-c2cccc3c(N(CC4CC4)C[C@H]4COCCO4)c(SC)nn23)c(OC)c1 ZINC000084740511 KJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)c1ccc(Cl)nc1Cl ZINC000084741138 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(-c3cccc(-n4cnc5c(N)ncnc54)c3)nn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084741425 KJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(N)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084741828 KJ Annotated Mild Cc1c(/N=C/c2ccccc2/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000084742332 KJ Annotated Mild COc1cc2c(cc1O)[C@@H]1CCc3cc(OC)c(OC)c(OC)c3[C@H]2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000084756856 KJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCOC(=O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)ccc2c1 ZINC000084756964 KJ Annotated Clean COc1ccc2cc([C@@H](C)C(=O)OCCOC(=O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)ccc2c1 ZINC000084756966 KJ Annotated Clean C[C@@H](c1ccc(NC(=O)c2ccc(-c3ccccc3)s2)nc1)N1CCc2nc(C(=O)NO)sc2C1 ZINC000084757092 KJ Annotated Anodyne C[C@H](c1ccc(NC(=O)c2ccc(-c3ccccc3)s2)nc1)N1CCc2nc(C(=O)NO)sc2C1 ZINC000084757094 KJ Annotated Anodyne N/C(=N\S(=O)(=O)c1cc(-c2nnc(-c3ccccc3)s2)c(Cl)cc1SCc1ccc2c(c1)OCO2)NO ZINC000084757183 KJ Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(O)c(O)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084757846 KJ Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc6c(c5)OCO6)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084758310 KJ Annotated Anodyne O=C(CN1c2ccccc2Sc2ccccc21)NCc1cn(CC(=O)c2ccc(Br)cc2)nn1 ZINC000084758777 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](Cc2ccccc2)NC2=NC(=O)/C(=C/c3ccccc3F)S2)cc1 ZINC000084758947 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](CC(C)C)NC2=NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1 ZINC000084758948 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](CC(C)C)NC2=NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 ZINC000084758949 KJ Annotated Mild COc1ccc(C(=O)Cn2cc(COC(=O)CCN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084759234 KJ Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](SC(=S)C2=C(Nc3ccc(Br)cc3)CC(C)(C)CC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000084759298 KJ Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc(O[C@@H]4O[C@H](COC(=O)C[C@H](C)CCC[C@@H](CO)CCCC(C)C)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC ZINC000084840365 KJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc(O[C@@H]4O[C@H](COC(=O)C[C@H](C)CCC[C@H](CO)CCCC(C)C)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC ZINC000084840368 KJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc(O[C@@H]4O[C@H](COC(=O)C[C@@H](C)CCC[C@@H](CO)CCCC(C)C)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC ZINC000084840372 KJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc(O[C@@H]4O[C@H](COC(=O)C[C@@H](C)CCC[C@H](CO)CCCC(C)C)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC ZINC000084840375 KJ Annotated Anodyne CC(C)[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2ccccc2)N(C)C1=O ZINC000008552160 KJ Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=NC(=O)c1c(-c2c(F)cccc2Cl)noc1C ZINC000008591398 KJ Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1c(-c2c(F)cccc2Cl)noc1C ZINC000008591405 KJ Annotated Anodyne CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(CCCCCC(=O)NCc2ccccc2Cl)c(=O)c2sccc21 ZINC000008593215 KJ Annotated Anodyne CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(CCCCCC(=O)NCc2ccccc2Cl)c(=O)c2sccc21 ZINC000008593217 KJ Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Br)cc4c3N(C(=O)CC)CC4)C2)c1 ZINC000008593322 KJ Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Br)cc4c3N(C(=O)CC)CC4)C2)c1 ZINC000008593324 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000008596863 KJ Annotated Anodyne Cc1c(Cl)cccc1-n1ncc(C(=O)N2CCN(c3ncccn3)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008597502 KJ Annotated Anodyne COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)OCO4)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597512 KJ Annotated Anodyne Cc1cc(C)c(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)OC[C@@H]4CCCO4)cc32)c(C)c1 ZINC000008599613 KJ Annotated Anodyne Cc1cc(C)c(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)OC[C@H]4CCCO4)cc32)c(C)c1 ZINC000008599617 KJ Annotated Anodyne N/C(=N/OC(=O)c1cc2ccccc2oc1=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000008626668 KJ Annotated Mild Cc1ccc(C)c(N(CC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)c1 ZINC000008666609 KJ Annotated Reactive Cc1nn(-c2ccccc2)c(Cl)c1/C=N\Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] ZINC000008667140 KJ Annotated Mild CCOC(=O)[C@H](Cc1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000008672741 KJ Annotated Anodyne aggregator CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/Cc3ccccc3)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N=C(O)[C@H]12 ZINC000008679838 KJ Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCc3c[nH]c4ccccc34)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000008679842 KJ Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CC3CC3)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000008679859 KJ Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CC3CC3)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000008679870 KJ Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)C[C@H]2O[C@@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000008679986 KJ Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)C[C@@H]2O[C@@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000008679987 KJ Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3cccc(Cl)c3)Cc3ccccc3)CC2)cc1 ZINC000008680163 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3cccc(Cl)c3)Cc3ccccc3)CC2)cc1 ZINC000008680164 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccc(Cl)cc3)Cc3ccccc3)CC2)cc1 ZINC000008680167 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccc(Cl)cc3)Cc3ccccc3)CC2)cc1 ZINC000008680168 KJ Annotated Anodyne CC(C)C[C@@H](COCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CCC1=O ZINC000008680175 KJ Annotated Bother CC(C)C[C@H](COCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CCC1=O ZINC000008680176 KJ Annotated Bother COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008680933 KJ Annotated Anodyne COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008680934 KJ Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000008681888 KJ Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@H](OC(=O)NCc1ccco1)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000008681906 KJ Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C(=O)c2cc(OC)ccc2O[C@@H]1c1ccc(OC)c(Br)c1 ZINC000008681915 KJ Annotated Anodyne aggregator COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1cccc(OC)c1 ZINC000008681918 KJ Annotated Anodyne aggregator COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C(=O)c2cc(OC)ccc2O[C@H]1c1ccc(OC)c(Br)c1 ZINC000008681993 KJ Annotated Anodyne aggregator COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1Cc2cc(Br)ccc2O[C@H]1c1cccc(OC)c1 ZINC000008682012 KJ Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)NCc1ccco1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000008682039 KJ Annotated Anodyne CC(=O)O[C@H](C(=O)O[C@H]1C[C@H](CC#N)O[C@H](CCC[C@H]2O[C@H](C(=O)OC(C)C)CC[C@@H]2C)C1)c1ccccc1 ZINC000008682223 KJ Annotated Mild Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(O)c1/C=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008685671 KJ Annotated Mild Cc1nn(-c2ccc(Br)cc2)c(O)c1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000008686711 KJ Annotated Mild CCOC(=O)[C@@H](Cc1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000008687505 KJ Annotated Anodyne aggregator COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008690288 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008692093 KJ Annotated Anodyne CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C/CC(=O)OC)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008801827 KJ Annotated Mild CC(=O)Nc1ccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N32)cc1 ZINC000008801855 KJ Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@@H](/C=N/OC[C@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)OC ZINC000008801857 KJ Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/OCC[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000008801862 KJ Annotated Mild C=CC[C@@H]1C=C[C@H](O/N=C/c2ccc(C(=O)N3[C@H](C(=O)OC)CC[C@H](C)[C@H]3c3ccc(C)cc3)cc2)[C@@H](CO)O1 ZINC000008801864 KJ Annotated Mild COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829559 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829595 KJ Annotated Anodyne CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000008830779 KJ Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CC(=O)OC)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000008860369 KJ Annotated Mild C=CC1=C(C)[C@@H](CC2=N/C(=C\c3[nH]c(/C=C4/NC(=O)[C@H](C)/C4=C\C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000085427785 KJ Annotated Anodyne C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085487033 KJ Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](CC[C@H]2CCCC3(CCCC3)CC[C@@](O)(CC(=O)O)CN[C@@]3(C)C[C@H](N)N[C@H](Cc4cccc(c4)C2)C3)CC[C@H]1O ZINC000085487876 KJ Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H]([C@H]2CC[C@@H]3CCCCC[C@@](O)(CC(=O)O)CN[C@@]4(C)CCN[C@H](Cc5cccc(c5)C[C@@H]3C2)C4)CC[C@H]1O ZINC000085488007 KJ Annotated Anodyne in-vitro biogenic C[C@H]1[C@H](O)CC[C@H]2C[C@@H]([C@H]3CCCCCC[C@@](O)(CC(=O)O)CN[C@]4(C)CCN[C@@H](Cc5cccc(c5)C3)C4)CCN21 ZINC000085488035 KJ Annotated Anodyne in-vitro biogenic CC(C)[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000085488586 KJ Annotated Anodyne in-vitro biogenic C=C(C)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3C(=C)[C@@H](O)CC[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C ZINC000085488688 KJ Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490392 KJ Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2CCO)CC#Cc2ccccc2CC1 ZINC000085490447 KJ Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@@H](CCCCCCC(=O)O)N[C@@H]([C@H](C)O)CC#Cc2c(CC)cccc2CC1 ZINC000085490593 KJ Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@H](C)O)CC#Cc2ccccc2CC1 ZINC000085490628 KJ Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)NC[C@H](C)O ZINC000085490775 KJ Annotated Anodyne in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C(CCc1ccccc1)=C(/CCCC[C@H](CCC(=O)O)NCC)C[C@H](O)CO ZINC000085490790 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C(Cc1cccc(O)c1)=C(/CCCC[C@H](CCC(=O)O)NCC)C[C@H](O)CO ZINC000085490873 KJ Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](O)[C@]2(C)[C@@H]1C[C@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C ZINC000085492254 KJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C(C(=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085492263 KJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)[C@H](O)[C@@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085492290 KJ Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](O)[C@]3(O)C2)[C@H](O)C1 ZINC000085492491 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](O)[C@@]3(O)C2)[C@H](O)C1 ZINC000085492495 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](Cc3ccnc(N)c3)[C@H](CCCO)[C@H]2O)[C@H](O)C1 ZINC000085492541 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2O)[C@H](O)C1 ZINC000085492564 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)C[C@@H](CNCC)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492598 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](CC3=C[CH+]N=C3)C[C@H]2O)[C@H](O)C1 ZINC000085492630 KJ Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](Cc2ccnc(N)c2)C[C@H]1O ZINC000085492684 KJ Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](CC2=C[CH+]N=C2)C[C@H]1O ZINC000085492735 KJ Annotated Mild in-vitro biogenic CN[C@@H](CC(=O)O[C@@H]1CC[C@H]2[C@H](OC(=O)c3cccnc3)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@H](OC(C)=O)[C@@H]2[C@]12CO2)C3(C)C)c1ccccc1 ZINC000085493074 KJ Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](O)[C@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C ZINC000085493102 KJ Annotated Mild in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)cc1-c1cccc(O)c1)C(=O)O ZINC000085506684 KJ Annotated Clean in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)cc1-c1cccc(O)c1)CC2)C(=O)O ZINC000085506691 KJ Annotated Clean in-vitro biogenic CNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)c2c1-c1cccc(O)c1CCC2)C(=O)O ZINC000085506704 KJ Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)cc1-c1cccc(O)c1)C(=O)O ZINC000085506708 KJ Annotated Clean in-vitro biogenic CNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)cc1-c1cccc(O)c1)CC2)C(=O)O ZINC000085506739 KJ Annotated Clean in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@H]([C@@H](O)[C@H]12)C3(C)C ZINC000085508578 KJ Annotated Mild in-vitro biogenic NCCOc1ccc(/C=C/C(=O)CO[C@@]2(C(=O)O)C[C@@H](O)[C@H]3OC[C@@H](CCc4ccccc4)C[C@@H](C(=O)/C=C/c4ccc(O)c(O)c4)O[C@]3(CNC3CCCC3)C2)cc1O ZINC000085509496 KJ Annotated Mild in-vitro biogenic NC1=N[C@H](/C(=C\C(=O)O)[C@H](Nc2[cH-]ccn2)[C@@H]2CC[C@@H]3C[C@H]2[C@@H](CCC[C@@H](N)CC[C@H](C=O)CCCO)c2cc4cc(CC=O)ccc4cc23)C[C@H](CO)N1 ZINC000085509851 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](Nc2[cH-]ccn2)[C@@H]2CC[C@@H]3C[C@H]2[C@@H](CCC[C@@H](N)CC[C@H](C=O)CCC(O)O)c2cc4cc(CC=O)ccc4cc23)CCN1 ZINC000085509854 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@@H](C[C@@H]2[C@@H]3c4cc5cc(CC=O)ccc5cc4C[C@H]2C=C[C@@H]3CC[C@H](N)CC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085509876 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@@H](C[C@H]2CCc3cc4ccc(CC=O)cc4cc3[C@@H]2CCC[C@@H](N)CC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085509903 KJ Annotated Mild in-vitro biogenic C[C@H](C=O)CC[C@H](N)CC[C@H]1C=C[C@@H]2Cc3cc4ccc(CC=O)cc4cc3[C@H]1[C@H]2C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085509923 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](C[C@H]2[C@@H]3c4cc5cc(CC=O)ccc5cc4C[C@H]2C=C[C@H]3CC[C@H](O)CC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085509942 KJ Annotated Mild in-vitro biogenic C[C@H](C=O)CC[C@H](N)CCC[C@@H]1c2cc3cc(CC=O)ccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085509964 KJ Annotated Mild in-vitro biogenic C[C@H](C=O)CC[C@H](N)CCC[C@H]1c2cc3cc(CC=O)ccc3cc2CC[C@@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085509970 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](C[C@H]2CCc3cc4ccc(CC=O)cc4cc3[C@@H]2CCC[C@H](O)CC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085509979 KJ Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@@H](C[C@@H]1CCc2cc3ccc(CC=O)cc3cc2[C@@H]1CCC[C@H](N)CCCCCCO)Nc1[cH-]ccn1 ZINC000085509993 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@@H](CC[C@@H](CCC[C@@H](N)CC[C@H](C=O)CCCO)c2ccc3ccc(CC=O)cc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510017 KJ Annotated Mild in-vitro biogenic C[C@H](C=O)CC[C@H](N)CCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510034 KJ Annotated Mild in-vitro biogenic C[C@H](C=O)CC[C@H](N)CCC[C@H]1c2cc3ccccc3cc2CC[C@@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510038 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCC[C@H](O)CC[C@H](C=O)CCCO)c2ccc3ccc(CC=O)cc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510069 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@@H](CC[C@@H](CCC[C@@H](N)CC[C@H](C=O)CCCO)c2ccc3ccccc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510071 KJ Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCC[C@H](O)CC[C@H](C=O)CCCO)c2ccc3ccccc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510136 KJ Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@H](/C=C/c1ccccc1)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510241 KJ Annotated Mild in-vitro biogenic CCCC[C@H](O)CCC[C@H](/C=C/c1ccccc1)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510256 KJ Annotated Mild in-vitro biogenic CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCCO)COC[C@@H]7CC8(CCCC8)C[C@@H]5[C@@H]76)CO4)[C@H](O)[C@H]3O)c2c1O ZINC000085510944 KJ Annotated Anodyne in-vitro biogenic CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085510969 KJ Annotated Reactive in-vitro biogenic CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCCO)COC[C@@H]7CC8(CCCC8)C[C@@H]5[C@@H]76)CO4)[C@H](O)[C@H]3O)c2c1O ZINC000085511045 KJ Annotated Anodyne in-vitro biogenic CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCO)COC[C@@H]7CC8(CCCC8)C[C@@H]5[C@@H]76)CO4)[C@H](O)[C@H]3O)c2c1O ZINC000085511065 KJ Annotated Anodyne in-vitro biogenic CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COC[C@H]7CC8(CCCC8)C[C@@H]5[C@@H]76)CO4)[C@H](O)[C@H]3O)c2c1O ZINC000085511125 KJ Annotated Anodyne in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCO)COC[C@@H]7CCC[C@@H]5[C@H]76)CO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511146 KJ Annotated Anodyne in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCCO)COCC[C@H]6[C@H]5C)CO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511186 KJ Annotated Anodyne in-vitro biogenic CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COC[C@H]7CC8(CCCC8)C[C@@H]5[C@@H]76)CO4)[C@H](O)[C@H]3O)c2c1O ZINC000085511204 KJ Annotated Anodyne in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCO)CSSCO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511222 KJ Annotated Reactive in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COC[C@H]7CCC[C@H]5[C@H]76)CO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511280 KJ Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCO)COCC[C@H]6[C@@H]5C)CO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511326 KJ Annotated Anodyne in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COCC[C@H]6[C@H]5C)CO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511355 KJ Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COCC[C@H]6[C@@H]5C)CO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511404 KJ Annotated Anodyne in-vitro biogenic CC[C@@]1(O)[C@@H](CO)O[C@@H](Oc2cc(C(=O)O)cc3cc(C)c(C(=O)C[C@H]4CC[C@@H](Cc5ccccc5)c5ccccc54)c(O)c23)[C@H](O)[C@H]1O ZINC000085511502 KJ Annotated Anodyne in-vitro biogenic Cc1c(C(=O)CCc2ccccc2CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@](O)(CCC(C)C)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511527 KJ Annotated Anodyne in-vitro biogenic Cc1c(C(=O)CCc2ccccc2CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](C4(O)CCCCC4)[C@@H](O)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511533 KJ Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@](O)(CC[C@@H](C)[C@H]4CCOCC45CCCC5)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511556 KJ Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](C4(O)CCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1 ZINC000085511601 KJ Annotated Anodyne in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@H](O)[C@H]3CCC[C@H](C[C@@H](OC(C)=O)CC2)N13 ZINC000085511855 KJ Annotated Anodyne in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](O)CC2)N31 ZINC000085511863 KJ Annotated Anodyne in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@@H](O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000085511864 KJ Annotated Anodyne in-vitro biogenic CCCCCCCCC/C=C/C=C/C=C/C(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C ZINC000085512000 KJ Annotated Mild in-vitro biogenic COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000085529900 KJ Annotated Anodyne in-vitro biogenic CC1(C)O[C@H]2C3(CCCC3)C(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](C3=C[CH+][O+]=C3CCC3CCC(C4=NC=N[CH+]4)CC3)OC(=O)[C@H]3O[C@]321 ZINC000085530183 KJ Annotated Mild in-vitro biogenic CC1(C)O[C@H]2C3(CCCC3)C(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](C3=C[CH+][O+]=C3CCCCCCC3=NC=N[CH+]3)OC(=O)[C@H]3O[C@]321 ZINC000085530242 KJ Annotated Mild in-vitro biogenic CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C2CCCCC2)[C@@H]3CC[C@@]2(C)[C@H](C3=C[CH+][O+]=C3CCCCCCC3=NC=N[CH+]3)OC(=O)[C@H]3O[C@]321 ZINC000085530267 KJ Annotated Mild in-vitro biogenic CC1(C)O[C@H]2C3(CCCC3)C(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3CCCCCCCO)OC(=O)[C@H]3O[C@]321 ZINC000085530358 KJ Annotated Anodyne in-vitro biogenic CCCCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@@]3(C)[C@H](O)C(=O)[C@@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]321 ZINC000085530433 KJ Annotated Mild in-vitro biogenic CCCCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@]32CC=C[C@@]3(C(=O)[C@H]2O)C(C)(C)O[C@H]2CC(=O)OC[C@@]213 ZINC000085530436 KJ Annotated Mild in-vitro biogenic C[C@H]1[C@]2(O)C[C@H](O)[C@]3(CO)[C@@]1(CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)O)C[C@H]5[C@]4(C)CC[C@]13C)CO2 ZINC000085530726 KJ Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)C(=C(C)C)CCc2cccc(c2)CC#CC[C@@]1(C)O3 ZINC000085531340 KJ Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)CCCC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531359 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1c2c(ccc3cc([C@H](CCO)COCO)c(=O)oc23)O[C@]2(C)CC#CCc3cccc(c3)CCC(=C(C)C)C(=O)O[C@@H]12 ZINC000085531395 KJ Annotated Mild in-vitro biogenic C[C@@H]1CC(=O)N2CCCC3=C(CC(=O)[C@H]3CCC2)[C@H]1[C@@H]1C2=C3CCCN(CCC[C@@H]3C(=O)C2)C(=O)C[C@H]1C ZINC000085531511 KJ Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532258 KJ Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532321 KJ Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)[C@H]5C=CC[C@@H](C6CCCC6)C5)N4C3)[C@H]2[C@@H]1C ZINC000085532324 KJ Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)[C@@H]1C=CC[C@@H](C2CCCC2)C1 ZINC000085532326 KJ Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCCC3)CN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532336 KJ Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532442 KJ Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532446 KJ Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)C[C@@H]4CCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532449 KJ Annotated Anodyne in-vitro biogenic O[C@@H](OCC(CO[C@H](O)C(Cl)(Cl)Cl)(CO[C@H](O)C(Cl)(Cl)Cl)CO[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000085537030 KJ Annotated Anodyne in-man O[C@@H](OCC(CO[C@H](O)C(Cl)(Cl)Cl)(CO[C@@H](O)C(Cl)(Cl)Cl)CO[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000085537033 KJ Annotated Anodyne in-man C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@H]2CN1C(=O)[C@@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000085537047 KJ Annotated Mild in-man C=C1[C@H]2[C@@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C3[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)CC[C@H]1OC(=O)/C=C\c1ccccc1 ZINC000085540145 KJ Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085540182 KJ Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3=C(C)C(=O)C[C@H]([C@H](OC(C)=O)[C@H]12)C3(C)C ZINC000085540394 KJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@H](OC(C)=O)[C@H]12)C3(C)C ZINC000085540599 KJ Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@]123)C4(C)C ZINC000085540617 KJ Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000085540625 KJ Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)C[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@H](OC(C)=O)[C@H]12)C3(C)C ZINC000085540650 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@H](O)[C@@]34[C@@H](O)CC[C@@]5(C)CCC6(CCCC6)C(=CO[C@]23CCC2=CC(=O)OC2)[C@]154 ZINC000085542080 KJ 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(CO)[C@@H](O)CC[C@@]3(C)CCC41CCCC1 ZINC000085542088 KJ Annotated Mild in-vitro biogenic C[C@]12C#CCC3(CCCCC3)C(=O)O[C@H](C1)[C@]13C4=CO[C@@]2(CCC2=CC(=O)OC2)[C@@]1(CO)[C@H](O)CC[C@@]3(C)CCC4 ZINC000085542123 KJ Annotated Mild in-vitro biogenic CC(C)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542173 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](O)[C@]3([C@@H]1[C@](C)(C1CCC4(CCCC4)CC1)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542224 KJ Annotated Anodyne in-vitro biogenic C[C@@]1(C2CCC3(CCCC3)CC2)CC[C@@H](O)[C@@]2(CO)[C@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542232 KJ Annotated Mild in-vitro biogenic C[C@@]1(C2CCCCC2)CC[C@H](O)[C@@]2(CO)[C@H]1[C@H]1C[C@](C)(C#CCC3(CCCCC3)C(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542260 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@@H](C)CCC(C)C)[C@@H](O)CCC(C)(C)[C@H]12 ZINC000085542292 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CCC(C)C)[C@@H](O)CC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085542321 KJ Annotated Anodyne in-vitro biogenic CC(C)CCC[C@]12[C@@H](O)CCC(C)(C)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542356 KJ Annotated Mild in-vitro biogenic C[C@@H]1C[C@@H](OC(=O)C2CCCCC2)[C@H]2[C@](C)(C3CCCCC3)CC[C@H](O)[C@]2(CO)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000085542409 KJ Annotated Anodyne in-vitro biogenic CCCNCc1cc(O)cc2c1C[C@H]1CCC[C@H](C1)[C@]13C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]1C#CC2)[C@@H]4C(C)(C)O3 ZINC000085543081 KJ Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1C[C@H]1CCC[C@H](C1)[C@]13CC[C@H]([C@@](N)(CCO)[C@H]1C#CC2)[C@@](C)(C1CCCC1)O3 ZINC000085543102 KJ Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](C)CCOC ZINC000085544242 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](C)CCOC ZINC000085544255 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C[C@H]1C=C(CN[C@H](C)CCOC)CCC1 ZINC000085544267 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](C)CCOC ZINC000085544304 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](C)CCOC ZINC000085544314 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)CC/C=C(\C)CNCC ZINC000085544345 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544362 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544377 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]23[C@H]4/C(=C(/C)C=O)[C@H](C=C[C@@]4(CCO)C=C[C@@]12O)C[C@]3(O)CCNC)CCC=C(C)C ZINC000085544424 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H](/C(=C(/C)C=O)CC[C@@]2(C)O)[C@H](CCO)CC[C@@]13O)CCC=C(C)C ZINC000085544428 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C[C@H]1C=C(CNCC)CCC1 ZINC000085544431 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544435 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)C3=C(C=O)CCC[C@H]3C[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CNCC ZINC000085544477 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@@H](CCCO)C3=C(C=O)CCC[C@H]3C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544493 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544500 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]23[C@H](/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H](CCO)CC[C@@]13O)CCC=C(C)C ZINC000085544519 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544526 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544537 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CNCC ZINC000085544549 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CNCC ZINC000085544569 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544578 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544585 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544617 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544640 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544670 KJ Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CNCC ZINC000085544678 KJ Annotated Reactive in-vitro biogenic COc1cc2cc3c(c(O)c2c(O)c1-c1c(OC)cc2cc4c(c(O)c2c1O)C(=O)O[C@H](CC(C)=O)C4)C(=O)O[C@H](CC(C)=O)C3 ZINC000085545715 KJ Annotated Anodyne C[C@]12CC[C@H](O)[C@@](C)(CO)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@]34C[C@@]56CCC#C[C@H](O)[C@@]3(CC5)[C@@H](O)C[C@]21CC[C@@H]4CC6 ZINC000085546032 KJ Annotated Mild in-vitro biogenic C[C@]12CCC#C[C@H](O)[C@@]3(CC1)[C@@H](O)C[C@]1(C)C(=CC(=O)[C@@H]4[C@]56CCCC[C@@]41CC[C@@H]5[C@](C)(CO)[C@@H](O)CC6)[C@H]3C2 ZINC000085546044 KJ Annotated Mild in-vitro biogenic C[C@]12CCC#C[C@H](O)[C@@]3(CC1)[C@@H](O)C[C@]1(C)C(=CC(=O)[C@@H]4[C@]5(C)[C@H](CC[C@]41C)[C@@]1(CO)CCC[C@@H]5C[C@@H]1O)[C@H]3C2 ZINC000085546053 KJ Annotated Mild in-vitro biogenic C[C@]12CCC#C[C@H](O)[C@@]3(CC1)[C@@H](O)C[C@]1(C)C(=CC(=O)[C@@H]4[C@@]5(C)[C@@H]6C=CC[C@@](CO)([C@@H](O)C6)[C@H]5CC[C@]41C)[C@H]3C2 ZINC000085546063 KJ Annotated Mild in-vitro biogenic C[C@]12CC[C@H](O)[C@@](C)(CO)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@]34C[C@]5(C)CC[C@@H]3CC[C@@]21C[C@H](O)[C@@]4(CO)CC5 ZINC000085546070 KJ Annotated Mild in-vitro biogenic CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC(=O)[C@@H]4[C@]56CCCC[C@@]43CC[C@@H]5[C@](C)(CO)[C@@H](O)CC6)[C@H]2C1 ZINC000085546087 KJ Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@]3(C(=O)CCc4cccc(c4)[C@@]4(CC[C@H](O)C4)[C@H](CO)c4ccc5ccc(cc5c4)C[C@]13C)[C@]2(O)OC ZINC000085546117 KJ Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C[C@@H](CO)c4ccc5ccc(cc5c4)C[C@]13C)[C@]2(O)OC ZINC000085546203 KJ Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(-c4cc(O)cc(CNC)c4)c3)([C@]1(C)C1CCCC1)[C@]2(O)OC ZINC000085546292 KJ Annotated Mild in-vitro biogenic CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H]([C@H](C)CC)NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@H]2N=C1O[C@@H]2C ZINC000085546594 KJ Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H]([C@@H](C)CC)NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@H]2N=C1O[C@@H]2C ZINC000085546598 KJ Annotated Anodyne in-vitro O=Cc1ccc([C@@H](C2CCCCC2)[C@H]2[C@@H]3C=C[C@@H]4N2[C@]4(O)[C@H]3[C@@H]2CC[C@H]3C[C@@H](O)C4(CCCC4)[C@@H]3N2)cc1 ZINC000085547704 KJ Annotated Anodyne in-vitro biogenic CNCc1ccc(CO)c([C@@H]2C=C[C@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@@H]24)c1 ZINC000085549197 KJ Annotated Reactive in-vitro biogenic CNCc1ccc(CO)c([C@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@H]24)c1 ZINC000085549204 KJ Annotated Reactive in-vitro biogenic CNCc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC3)c1 ZINC000085549272 KJ Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1CO ZINC000085549312 KJ Annotated Reactive in-vitro biogenic C[C@]12CCSS[C@@]3(CCC[C@H](CO)C3)[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549321 KJ Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)CCNC(N)=N3 ZINC000085549428 KJ Annotated Reactive in-vitro biogenic CC[C@H](C(=O)O)[C@H](OC)[C@@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](CC)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C ZINC000085551663 KJ Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)CC(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000085560574 KJ Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)[C@@H](O)[C@@H]5C)C[C@@H]4C(=O)O)O3)C[C@H]2C)[C@@H]1C ZINC000085563368 KJ Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@@](C)(O)C[C@@H]5C(=O)O)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000085563374 KJ Annotated Anodyne CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2)c1)CO4 ZINC000085567440 KJ Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2)c1)CO4 ZINC000085567443 KJ Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OCCCO)c2)CO5)CCCC1 ZINC000085567473 KJ Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567494 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OCc3cccc(CO)c3)cc(O)c(c2-5)[C@H](O)N4)cc(OC)c1O ZINC000085567521 KJ Annotated Clean in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O)c(c2-5)[C@@H](O)N4)cc(OC2CCCC2)c1O ZINC000085567567 KJ Annotated Clean in-vitro biogenic CCNCOc1cc(OC)c2c3c1ccc1cc4c(c(c13)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567579 KJ Annotated Bother in-vitro biogenic COc1cc([C@@H]2COc3cc(O)c4c(c3[C@H]2O)CCc2c(OCc3cccc(CO)c3)cc(O)cc2-4)cc(OC)c1O ZINC000085567586 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)C[C@H](CCC(C)C)c2cc(O)ccc2-4)c(O)c(OC)c1O ZINC000085567814 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CC2(CCCC2)c2cc(O)ccc2-4)c(O)c(OC)c1O ZINC000085567851 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@@]2(CNCNC[C@H](C)O)OCNC2CCCCC2)ccc1O ZINC000085567936 KJ Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c3c(c4c(c2O[C@@H]1c1cc(CCCO)c(O)c(OC)c1)CC[C@@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000085567975 KJ Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000085568008 KJ Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c(cc(OC(CO)CO)c3c2C[C@@H](Cc2ccc4c(c2)=C[CH+]N=4)c2cc(O)ccc2-3)O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1 ZINC000085568038 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)c5c3[C@H](C4)[C@@H](c3ccc4c(c3)=C[CH+]N=4)C=C5)C[C@H]2O)ccc1O ZINC000085568054 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OC(CO)CO)c4c(c3C[C@H]2OCNC2CCCCC2)C[C@@H](Cc2ccc3c(c2)=C[CH+]N=3)c2cc(O)ccc2-4)ccc1O ZINC000085568062 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OC(CO)CO)c4c(c3C[C@H]2OCNC2CCCC2)C[C@@H](Cc2ccc3c(c2)=C[CH+]N=3)c2cc(O)ccc2-4)ccc1O ZINC000085568071 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OC(CO)CO)c4c(c3C[C@H]2O)C[C@@H](Cc2ccc3c(c2)=C[CH+]N=3)c2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568083 KJ Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OC)c1)CCCO4)-c1ccc(O)cc1[C@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000085568116 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CCCO5)-c3ccc(O)cc3[C@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@H]2O)cc(CCCO)c1O ZINC000085568130 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)[C@H](CC2([n+]3cc[nH]c3)CCCC2)Cc2cc(O)ccc2-4)ccc1O ZINC000085568146 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CCCO5)-c3ccc(O)cc3[C@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@H]2O)ccc1O ZINC000085568150 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)C[C@@H]2c3c-4ccc(O)c3C=C[C@H]2c2ccc3c(c2)=C[CH+]N=3)ccc1O ZINC000085568162 KJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OC)c4c5c3[C@@H](C#CC[C@@H]([n+]3cc[nH]c3)C[C@H]5Cc3cc(O)ccc3-4)[C@H]2O)ccc1O ZINC000085568195 KJ Annotated Mild in-vitro biogenic CNCC(CNC)Oc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OCO)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568271 KJ Annotated Mild in-vitro biogenic CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1cc(OCO)c(O)cc1CC#Cc1nc(N)ccc1C[C@@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 ZINC000085568307 KJ Annotated Mild in-vitro biogenic CCNCc1cc(O)c(OC)cc1[C@H]1Oc2c(ccc3c2C[C@@H](CCO)c2cc(O)cc(OC)c2-3)[C@@H]1COC(C)=O ZINC000085568448 KJ Annotated Anodyne in-vitro biogenic CCNCc1cc(O)c(OC)cc1[C@H]1Oc2c(ccc3c2CCc2cc(O)cc(OC)c2-3)[C@@H]1COC(C)=O ZINC000085568462 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3C[C@@H](CCO)c3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568469 KJ Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1cc(CC(C)C)c(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]3CCC[C@@H](CO)[C@@H]3CCN=C(N)N)c1)O2 ZINC000085568565 KJ Annotated Mild in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@@H](O)C1(CCCC1)C1=C4C=C[C@@]5(O3)O[C@@]4([C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@]3(CCC4(CCCC4)C3)C1)C2=O ZINC000085568681 KJ Annotated Clean in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2[C@@H](CC[C@@H](O)[C@@H]2CO)C4)cc(Cc2cccc(O)c2)c1O ZINC000085569320 KJ Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2[C@H](C=C[C@H](O)[C@H]2CO)C4)cc(Cc2cccc(O)c2)c1O ZINC000085569343 KJ Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H](C(CO)CO)C[C@@H]4CCCO)cc(Cc2cccc(O)c2)c1O ZINC000085569348 KJ Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H](CO)CCCO)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569373 KJ Annotated Anodyne in-vitro biogenic CNCc1cccc(Cc2cc(-c3oc4cc(O)cc(O[C@H](CO)CCCO)c4c(=O)c3O)cc(CC(C)C)c2O)c1 ZINC000085569378 KJ Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(OCCCO)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569398 KJ Annotated Anodyne in-vitro biogenic CNCc1cccc(Cc2cc(-c3oc4cc(O)cc(OCCCO)c4c(=O)c3O)cc(CC(C)C)c2O)c1 ZINC000085569409 KJ Annotated Anodyne in-vitro biogenic COc1c(Br)c(Br)c(Br)c(/C=C/N(C)C(=O)[C@@H]2CCCN2C)c1OC ZINC000085570455 KJ Annotated Anodyne CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(N)c3)C(=O)O/C4=C\C[C@H](C)CNC)[C@@H]21 ZINC000085571205 KJ Annotated Anodyne in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@H](O)/C(=C3/C[C@@H](c5cc(O)cc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000085571627 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@](O)(CCC)C2CCC(=O)CC2)OC1=O ZINC000085571660 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@](C)(O)CCOC)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@@](C)(O)C2CCC(=O)CC2)OC1=O ZINC000085571674 KJ Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NCC)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@@](C)(O)C2CCC(=O)CC2)OC1=O ZINC000085571704 KJ Annotated Mild in-vitro biogenic Oc1cc(O)c(-c2c(O)cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4)c(O)c3)c2O)c(O)c1 ZINC000085581361 KJ Annotated Clean O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc5c(cn4)CC[C@H]4CCC[C@@]54[C@H]4CC[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000085592377 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc5c(cn4)CC[C@@H]4CCC[C@]54[C@@H]4C=C[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000085592378 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc5c(cn4)CC[C@H]4CCC[C@]54C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000085592379 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)C4(CCCC4)[C@H]4CC[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000085592381 KJ Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSS[C@@H]4CC5=C[C@H]6CCC[C@@]6(C[C@@]6(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]6O)c3ccnc(c35)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000085592382 KJ Annotated Reactive in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=CC=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@H]1CCC[C@@H]1C=C3 ZINC000085592441 KJ Annotated Mild in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=CC=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@H]1CCC[C@@H]1CC3 ZINC000085592442 KJ Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c3c(O)c2c2c1/C=C/[C@H](C1=C4C=CC=C[C+]4N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@@H]1O ZINC000085592443 KJ Annotated Mild in-vitro biogenic COc1cc2c3c(O)c(c(C4CCCC4)cc3c1)C(=O)CN1Cc3c(cccc3C1=O)CC#CO[C@H]1[C@H](O)[C@@H](COCC3=C4C(O)=CC=C[C+]4N=C3)O[C@H](O2)[C@@H]1O ZINC000085592453 KJ Annotated Mild in-vitro biogenic COc1cc2c3c(O)c(c(C4CCCC4)cc3c1)C(=O)CN1Cc3c(cccc3C1=O)CC#CO[C@H]1[C@H](O)[C@@H](COCC3=C4C=C(CCCO)C=C[C+]4N=C3)O[C@H](O2)[C@@H]1O ZINC000085592457 KJ Annotated Mild in-vitro biogenic COc1cc2c3c(O)c(c(C4CCCC4)cc3c1)C(=O)CN1Cc3c(cccc3C1=O)CC#CO[C@H]1[C@H](O)[C@@H](COCC3=C4C=CC=C[C+]4N=C3)O[C@H](O2)[C@@H]1O ZINC000085592463 KJ Annotated Mild in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc3c1CC[C@H](NC)N3)C(=O)c1ccccc1C2=O ZINC000085592586 KJ Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc3c1CC[C@H](NC)N3)C(=O)c1ccccc1C2=O ZINC000085592587 KJ Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@]1(c3ccnc(NCNC)c3)CCCN=C(NC)N1)C(=O)c1ccccc1C2=O ZINC000085592588 KJ Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc3c1CC[C@H](NC)N3)C(=O)c1ccccc1C2=O ZINC000085592591 KJ Annotated Clean in-vitro biogenic CCN[C@@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1ccccc1C2=O ZINC000085592596 KJ Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@]1(c3ccnc(N)c3)CCCN=C(NC)N1)C(=O)c1ccccc1C2=O ZINC000085592606 KJ Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592609 KJ Annotated Clean in-vitro biogenic C/C(CCc1ccnc(N)c1)=C(/CO)C[C@@]12O[C@]1(C(=O)OC[C@H](O)CCc1ccccc1)C(=O)c1c(CC(C)C)cccc1C2=O ZINC000085592640 KJ Annotated Clean in-vitro biogenic C/C(CCc1ccnc(N)c1)=C(/CO)C[C@@]12O[C@]1(C(=O)OC[C@H](O)C1(Cc3ccccc3)CCCC1)C(=O)c1ccccc1C2=O ZINC000085592642 KJ Annotated Clean in-vitro biogenic CCCC[C@H](CNCC)COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592645 KJ Annotated Clean in-vitro biogenic CCCC[C@H](CNCC)COC(=O)[C@]12O[C@@]1(C/C=C(\C)C1([C@@H](NC(=N)NC)c3ccnc(N)c3)CCCC1)C(=O)c1ccccc1C2=O ZINC000085592650 KJ Annotated Clean in-vitro biogenic CCCC[C@H](CNCCC)COC(=O)[C@]12O[C@@]1(C/C=C(\C)CCc1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592690 KJ Annotated Clean in-vitro biogenic CCCCC[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C=C(\C)CCc1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592697 KJ Annotated Clean in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)CO2 ZINC000085592927 KJ Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2cc(CCCO)c(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592940 KJ Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc3c(c2[C@H](O)[C@@H]1[C@H]1COc2c(Cc4cccc(O)c4)cc(OC)cc2[C@H]1O)CCCO3 ZINC000085592942 KJ Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592948 KJ Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2cc(CCCO)c(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC3CCCC3)cc2[C@H]1O ZINC000085592951 KJ Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc3c(c2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC4CCCC4)cc2[C@H]1O)CCCO3 ZINC000085592954 KJ Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC)cc2[C@H](OCCc2ccnc(N)c2)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@H]1O ZINC000085592964 KJ Annotated Anodyne in-vitro biogenic COc1cc(Cc2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3c(cc(OC)c4cc(O)ccc34)[C@@H]1O)CO2 ZINC000085592970 KJ Annotated Anodyne in-vitro biogenic CC(=O)Oc1cc(CO)c2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(C4(O)CCCCC4)c3C=O)c(O)c1C2=O ZINC000085593272 KJ Annotated Clean in-vitro biogenic CC(=O)Oc1cc(CO)c2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(C4(O)CCCCC4)c3)c(O)c1C2=O ZINC000085593322 KJ Annotated Clean in-vitro biogenic CC(=O)Oc1ccc2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(C4(O)CCCC4)c3)c(O)c1C2=O ZINC000085593366 KJ Annotated Clean in-vitro biogenic CC(=O)Oc1ccc2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(C3CCCCC3)c(O)c1C2=O ZINC000085593428 KJ Annotated Clean in-vitro biogenic CC(=O)Oc1ccc2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(CCCc3ccccc3)c(O)c1C2=O ZINC000085593452 KJ Annotated Clean in-vitro biogenic CNC[C@H]1C[C@@H]2C=C[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)OC(C)(C)[C@@H]1OC(=O)[C@@]21O[C@@H]1CCc1cc(N)nc(-c2cc(N)nc(C[N+]3=CC4=CC=NC4=C3)c2)c1 ZINC000085593820 KJ Annotated Anodyne in-vitro biogenic CNC[C@H]1C[C@@H]2C=C[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)OC(C)(C)[C@@H]1OC(=O)[C@]21O[C@@H]1CCc1cc(N)nc(-c2cc(N)nc(C[N+]3=CC4=CC=NC4=C3)c2)c1 ZINC000085593824 KJ Annotated Anodyne in-vitro biogenic CNC[C@@H]1CC[C@]2(O[C@@H]2CCc2cc(N)nc(-c3cc(N)nc(C[N+]4=CC5=CC=NC5=C4)c3)c2)C(=O)O[C@@H]2[C@@H](C1)c1c(cc3oc(C)cc(=O)c3c1O)OC2(C)C ZINC000085593829 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C[N+]3=CC4=CC=NC4=C3)c2)c1 ZINC000085593898 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)nc(-c4cc(N)nc(C[N+]5=CC6=CC=NC6=C5)c4)c2)[C@H](CCCO)CC[C@H]31 ZINC000085593901 KJ Annotated Anodyne in-vitro biogenic CNCC[C@@]12O[C@@H]1CCc1cc(N)nc(c1)-c1ccnc(N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O ZINC000085593925 KJ Annotated Reactive in-vitro biogenic CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1ccnc(N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O ZINC000085593927 KJ Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(CCCO)C(=O)O[C@@H]1C3 ZINC000085593936 KJ Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(CCCO)C(=O)O[C@@H]1C3 ZINC000085593938 KJ Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2cc(N)nc(-c4ccnc(N)c4)c2)[C@@H]2C=C[C@@H](CC2)[C@H]31 ZINC000085593966 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)nc(-c4ccnc(N)c4)c2)[C@@H]2C=C[C@@H](CC2)[C@H]31 ZINC000085593968 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CCc1cc(N)nc(-c2ccnc(N)c2)c1 ZINC000085593977 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@@H]31)O[C@@H]2CCc1cc(N)nc(-c2ccnc(N)c2)c1 ZINC000085593983 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1CCc1cc(N)nc(-c2cc(N)nc(C(C)C)c2)c1)C3 ZINC000085593990 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1CCc1cc(N)nc(-c2cc(N)nc(C(C)C)c2)c1)C3 ZINC000085593992 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2ccnc(N)c2)C2CCC(CC2)[C@@H]31 ZINC000085594042 KJ Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2ccnc(N)c2)C2CCC(CC2)[C@@H]31 ZINC000085594044 KJ Annotated Anodyne in-vitro biogenic C[C@@]1(O)CCC[C@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@@](CO)(N=C(N)N)CSS[C@@H]4C(O)O)O[C@@H]21 ZINC000085594323 KJ Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)CC[C@@]6(O)C[C@@](CO)(N=C(N)N)CSS[C@@H]4CO)O[C@@H]21 ZINC000085594329 KJ Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@@]6(O)C[C@](CO)(N=C(N)N)CSSC4)O[C@@H]21 ZINC000085594334 KJ Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc(c(Cc6ccc(NO)cc6)c(=O)c5c3OC3CCCC3)[C@H](O)C[C@@](CO)(N=C(N)N)CSSC4)O[C@@H]21 ZINC000085594346 KJ Annotated Reactive in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@@]5(O)C[C@@H](N=C(N)N)CSSC3)O1 ZINC000085594360 KJ Annotated Reactive in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(c3c4oc(c(Cc5ccc(NO)cc5)c(=O)c4c2OC2CCCC2)[C@H](O)C[C@@H](N=C(N)N)CSSC3)O1 ZINC000085594374 KJ Annotated Reactive in-vitro biogenic CC(C)CCc1c2oc3c(c4c(c(OC5CCCC5)c3c1=O)C[C@@H](C(C)(C)O)O4)CSSC[C@H](N=C(N)N)C[C@H]2O ZINC000085594405 KJ Annotated Reactive in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc4c(c(=O)c3c2OC2CCCC2)[C@@H](c2ccc(NO)cc2)C=C[C@H]4O)O1 ZINC000085594409 KJ Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc4c(c(=O)c3c2OC2CCCC2)[C@@H](c2ccc(NO)cc2)CC[C@@H]4O)O1 ZINC000085594410 KJ Annotated Anodyne in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(cc4oc(CO)c(Cc5ccc(NO)cc5)c(=O)c4c3OC3CCCC3)O[C@@H]21 ZINC000085594413 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@H]3C[C@@H]4C(=O)C=C[C@H]5[C@H]([C@@H]3N5C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2)[C@H]4NC ZINC000085594524 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]34 ZINC000085594531 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCO)c(=O)oc5cc1O2)[C@H]34 ZINC000085594538 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]34 ZINC000085594546 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C[C@H](CO)CCCO)c(=O)oc3cc1O2 ZINC000085594552 KJ Annotated Reactive in-vitro biogenic C/C=C(\CCO)C(=O)O[C@]1(C)CC=C2CSS[C@H]3CC[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]34 ZINC000085594564 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 ZINC000085594580 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594588 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CCO)c(=O)oc3cc1O2 ZINC000085594591 KJ Annotated Reactive in-vitro biogenic C/C=C(\CCO)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 ZINC000085594596 KJ Annotated Reactive in-vitro biogenic C/C=C(\CCO)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594608 KJ Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)ncc2CC(=O)N2CC(CNC)C2)Cc2cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc2O1 ZINC000085594623 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@@H](c2cc(N)ncc2CC(=O)N2CC(CC)C2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594631 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)ncc2CC(=O)N2C[C@H](CNC)[C@H]2CCC(C)C)Cc2cc3cc(CCCO)c(=O)oc3cc2O1 ZINC000085594635 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@@H](c2ccc(N)nc2)[C@]12Cc1cc3cc(C[C@H](CO)CCO)c(=O)oc3cc1O2 ZINC000085594638 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)ncc2CC(=O)N2C[C@H](CNC)[C@H]2CCC(C)C)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594649 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CCC[C@H](c2ccnc(N)c2)[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 ZINC000085594666 KJ Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C2C=C[C@H]3C(=C2c2c(cc4c(c2OC)C[C@@H](C(C)(C)O)O4)O1)CCC(=O)[C@@H]3c1ccc(O)cc1 ZINC000085594975 KJ Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@@H]2CCc4cc(N)ncc4C[C@@H]2[C@]1(C)O3 ZINC000085595087 KJ Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@@H](C[C@H](Cc4ccc(N)nc4)[C@]1(C)O3)c1c2ccnc1N ZINC000085595111 KJ Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]([C@H](CO)c2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595118 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](c2ccnc(N)c2)[C@@](CO)(c2cccc(O)c2)C#CC[C@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595120 KJ Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]([C@H](CO)c2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595121 KJ Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]([C@H](CO)c2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595131 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@@H]3c4ccnc(N)c4C=C[C@@]3(CO)c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595141 KJ Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](c2ccnc(N)c2)[C@@H](c2cccc(O)c2)C#CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595143 KJ Annotated Mild in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](Cc2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595145 KJ Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](c2ccnc(N)c2)[C@@H](c2cccc(O)c2)C#CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595155 KJ Annotated Mild in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](Cc2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595158 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@@H](c3ccnc(N)c3)[C@H](CO)c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595160 KJ Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c(c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595172 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)[C@@H](CO)Cc1ccc(NCC)nc1 ZINC000085595173 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H](CCO)c2ccnc(N)c2C2=CCC4=C2[C@H](Cc2cnc(N)cc2C4)[C@]1(C)O3 ZINC000085595176 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)Cc2ccnc(N)c2C2=C[C@@H](CCOC)C4=C2[C@@H](Cc2cnc(N)cc2C4)[C@]1(C)O3 ZINC000085595182 KJ Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c(c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595189 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)Cc2ccnc(N)c2C2=CCC4=C2[C@H](Cc2cnc(N)cc2C4)[C@]1(C)O3 ZINC000085595199 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)[C@H](CO)Cc1ccc(N)nc1)C1CCCC1 ZINC000085595206 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595214 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(Cc3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595223 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H](c2ccnc(N)c2)[C@@H](c2cccc(O)c2)C#CCC[C@]1(C)O3 ZINC000085595231 KJ Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H](Cc2cccc(O)c2)c2ccnc(N)c2CCC[C@]1(C)O3 ZINC000085595234 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c(c(Cc3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1)C1CCCC1 ZINC000085595245 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595253 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(CCc3ccccc3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595262 KJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(Cc3ccccc3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595265 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3cccc(CO)c3)C[C@@H](OC(C)=O)[C@H]3Cc4cc(OC)c(O)cc4[C@H](CO)[C@@H]3C2)ccc1O ZINC000085595500 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C#CCc3cc(O)c(OC)cc3CC[C@H](OC(C)=O)C[C@@H](OC(=O)Cc3cccc(CO)c3)C2)ccc1O ZINC000085595505 KJ Annotated Mild in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3cccc(CO)c3)C[C@@H](OC(C)=O)[C@H]3Cc4cc(OC)c(O)cc4C[C@H]3C2)ccc1O ZINC000085595507 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@]23CC[C@@]4(Cc5cc(O)c(OC)cc5C[C@@H]4[C@H](OC(C)=O)C[C@@H](OC(C)=O)C2)C3)ccc1O ZINC000085595523 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@@H](C[C@@H](OC(C)=O)[C@H]2CCc3cc(O)c(OC)cc3C2)OC(=O)Cc2cccc(CO)c2)ccc1O ZINC000085595538 KJ Annotated Anodyne in-vitro biogenic CC[C@H]1C[C@H](NC[C@H](C)O)C[C@@]12CC[C@H](Oc1cc3c(cc1O)[C@H](CCO)SSC[C@H](O)[C@@H](Cc1cc(OC)c(O)c(OCO)c1)[C@H](O)C[C@@H](OCO)CC3)C2 ZINC000085595570 KJ Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CCC5(CCCC5)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000085595597 KJ Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CCC[C@@H](CCCO)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595624 KJ Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@H](O)CSS[C@@H](CCO)c3cc(O)c(OC4CCCCC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595628 KJ Annotated Reactive in-vitro biogenic COc1cc(C[C@H]2[C@@H](O)CSSCc3cc(O)c(O[C@H]4CCC[C@@H](CCCO)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595644 KJ Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSSCc3cc(O)c(OC4CCCCC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595648 KJ Annotated Reactive in-vitro biogenic COc1cc(C[C@H]2[C@@H](O)CSSCc3cc(O)c(OC4CCCC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595650 KJ Annotated Reactive in-vitro biogenic COc1cc(C[C@H](CO)[C@H](O)C2([C@H](CCc3ccc(O)c(OC4CCCCC4)c3)OCO)CCCC2)cc(OC)c1O ZINC000085595671 KJ Annotated Anodyne in-vitro biogenic CC[C@H](Cc1ccc(O)c(OC2CCCC2)c1)[C@@H](C[C@@H](O)CCc1cc(OC)c(O)c(OC)c1)OCO ZINC000085595717 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)c(O[C@H]3CCC[C@H](CCCO)C3)c2)cc(OC)c1O ZINC000085595742 KJ Annotated Anodyne in-vitro biogenic CNCC1=C[C@H]2CCCC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595782 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@@H]2c3cc(OC)c(O)cc3C(CNCO)=C[C@H]3CCCC[C@@H]32)OC(C)=O)ccc1O ZINC000085595783 KJ Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](O)[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C=C[C@H]3CCCC[C@@H]32)OC(C)=O)ccc1O ZINC000085595807 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)[C@H]2CCC[C@H](CCO)C2)ccc1O ZINC000085595811 KJ Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](O)[C@H](CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C2CCCCC2)OC(C)=O)ccc1O ZINC000085595832 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)CC(C)C)ccc1O ZINC000085595843 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)Cc2ccccc2)ccc1O ZINC000085595855 KJ Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](O)[C@H](CC(=O)C[C@H](CCC(C)C)c2ccc(O)c(OC)c2)OC(C)=O)ccc1O ZINC000085595864 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H](CCC(C)C)CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)ccc1O ZINC000085595866 KJ Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCC[C@H](CO)CCc2cccc(NC[C@H](C)O)c2)cc1OC ZINC000085596189 KJ Annotated Anodyne in-vitro biogenic CN[C@H]1C=C[C@@H]2[C@H](CC=C(CO)[C@@H]2c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596287 KJ Annotated Clean in-vitro biogenic CNCC[C@@H]1CC=C(CO)[C@H](c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596303 KJ Annotated Clean in-vitro biogenic CNCC[C@@H]1CC[C@@H](CO)[C@@H](c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596304 KJ Annotated Clean in-vitro biogenic CNCC[C@H](C)CCc1cc([C@@H]2CC[C@@H]3[C@@H](O)C[C@@H](c4c(CO)c(O)c(O)c(OC)c4Cc4cnc[cH-]4)O[C@H]3C2)ccc1O ZINC000085596344 KJ Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c2c1C=C[C@@H]1[C@@H]2O[C@H]2C[C@H](c3ccc(O)c(CCC(C)C)c3)CC[C@H]2[C@H]1O ZINC000085596368 KJ Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)c(CCC(C)C)c3)O2)c1Cc1cnc[cH-]1 ZINC000085596378 KJ Annotated Clean in-vitro biogenic CCCCCc1cc(CC[C@H]2C[C@@H](O)C[C@@H](c3c(CO)c(O)c(O)c(OC)c3Cc3cnc[cH-]3)O2)ccc1O ZINC000085596394 KJ Annotated Clean in-vitro biogenic COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCO)c3)C[C@H](O)[C@H]2CCO)cc(OC[C@@H]2N[C@H](C)CC3(CCCC3)[C@]23[C@@H](C(=O)O)C=C[C@@H]3c2ccnc(N)c2)c1O ZINC000085596514 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCO)c3)C[C@H](O)[C@H]2CCO)cc(OC[C@@H]2N[C@H](C)CC3(CCCC3)[C@]2(CC(=O)O)Cc2ccnc(N)c2)c1O ZINC000085596524 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCNC[C@H](C)O)c3)C[C@H](O)[C@@H]2CCO)cc(OC[C@H]2N[C@@H](C)CC3(CCCC3)[C@]2(CC(=O)O)Cc2ccnc(N)c2)c1O ZINC000085596529 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@H]4N[C@H](C)CC[C@@]45[C@H](c4ccnc(N)c4)C=C[C@H]5C(=O)O)c3)O2)ccc1O ZINC000085596570 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@H]4N[C@H](C)CC[C@]4(CC(=O)O)Cc4ccnc(N)c4)c3)O2)ccc1O ZINC000085596586 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@@H]4N[C@H](C)CC[C@@H]4Cc4ccnc(N)c4)c3)O2)ccc1O ZINC000085596610 KJ Annotated Anodyne in-vitro biogenic CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\C(=O)O)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596635 KJ Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\C(=O)O)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596638 KJ Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)C(=O)CCCC(=O)CCC[C@@H](CC)/C=C/C=C(\C)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596646 KJ Annotated Anodyne CCNC1(COc2cc([C@@H]3C[C@@H](O)C[C@H](CCc4ccc(O)c(OC)c4)O3)cc(OC)c2O)CCCC1 ZINC000085596648 KJ Annotated Anodyne in-vitro biogenic CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\CO)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596653 KJ Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\CO)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596657 KJ Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](C)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596660 KJ Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](C)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596663 KJ Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCC[C@@H](O)CCC[C@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596669 KJ Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCC[C@H](O)CCC[C@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596677 KJ Annotated Anodyne CNC[C@H](O)CC[C@H](CC[C@H](C)O)[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](C2(CO)CCCC2)CO3)CCNCC1)OC(C)=O ZINC000085596697 KJ Annotated Anodyne in-vitro biogenic CN[C@@H]1CSSC[C@@](C)(O)CC[C@@H]([C@H](C[C@@H](OC(=O)[C@]23CCCC[C@H]2CCC(=O)N3)C2(Cc3ccc(O)c4c3CCCO4)CCNCC2)OC(C)=O)CC[C@H]1O ZINC000085596701 KJ Annotated Reactive in-vitro biogenic CN[C@H]1[C@H]2C=C[C@@H](C[C@H]([C@H](C[C@@H](OC(=O)[C@]34CCCC[C@H]3CCC(=O)N4)C3(Cc4ccc(O)c(OC)c4)CCNCC3)OC(C)=O)CC[C@](C)(O)CSS2)[C@H]1O ZINC000085596705 KJ Annotated Reactive in-vitro biogenic CN[C@@H]1CSSC[C@@](C)(O)CC[C@@H]([C@H](C[C@@H](OC(=O)[C@]23CCCC[C@H]2CCC(=O)N3)C2(Cc3ccc(O)c(OC)c3)CCNCC2)OC(C)=O)CC[C@H]1O ZINC000085596706 KJ Annotated Reactive in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1([C@@H]2CC[C@H]3c4c2ccc(O)c4OC[C@H]3CCO)CCNCC1)[C@@H](CCCO)CC[C@H](C)O ZINC000085596709 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@H]3c4c2ccc(O)c4OC[C@@H]3CCO)CCNCC1 ZINC000085596718 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H](CC[C@H](C)O)CC[C@H](O)CNC3CCCC3)OC(=O)[C@]34CCCC[C@H]3CCC(=O)N4)CCNCC2)ccc1O ZINC000085596745 KJ Annotated Anodyne in-vitro biogenic CCCC[C@H](CC[C@H](O)CNC)[C@H](C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596767 KJ Annotated Anodyne in-vitro biogenic CCCC[C@H](CCCO)[C@H](C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596772 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596783 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)[C@H](CNC)NC)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596800 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC2([C@@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(=O)C3CCCCC3)CCNCC2)ccc1O ZINC000085596804 KJ Annotated Anodyne in-vitro biogenic COc1cc(O)c(-c2c3c(c(O)c4c(OC)cc(O)cc24)C(=O)C=C(C)C3=O)c2cc3c(c(O)c12)C(=O)C[C@@](C)(O)C3 ZINC000085596805 KJ Annotated Mild CCCCC[C@@H](OC(C)=O)C1([C@@H](OC(=O)CNC)C2(Cc3ccc(O)c(OC)c3)CCNCC2)CCCC1 ZINC000085596821 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)CCCOC)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596854 KJ Annotated Anodyne in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)/N=C(/NC)NC#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](C[C@H](O)OCCCO)C1 ZINC000085596906 KJ Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C3(C/C=C/C(=O)CCc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](C[C@H](O)OCCCO)C1 ZINC000085596948 KJ Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C[C@H](/C=C/C(=O)CCc3ccc(O)c(OC)c3)C(C)C)cc(NC(=N)NC)c2O)CC[C@@H](C[C@H](O)OC)C1 ZINC000085596959 KJ Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C[C@H](/C=C/C(=O)CCc3ccc(O)c(OC)c3)C(C)C)cc(NC(=N)NC)c2O)CC[C@H](CCOCNC[C@H](C)O)C1 ZINC000085596971 KJ Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc(CC/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](CCOCNC(=N)NC)C1 ZINC000085596977 KJ Annotated Mild in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c(NC(=N)NC)cc(CC/C=C/C(=O)CCc4ccc(O)c(OC)c4)cc3O1)[C@H](CCOC)C2 ZINC000085597015 KJ Annotated Mild in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c(NC(=N)NC)cc(CC/C=C/C(=O)CCc4ccc(O)c(OC)c4)cc3O1)[C@H](CCC(=O)O)C2 ZINC000085597024 KJ Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)cc(NC(=N)NC)c2O)CC[C@H](CCOC)C1 ZINC000085597025 KJ Annotated Mild in-vitro biogenic CC[C@@H](CC=O)CC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(OCCNC)c1 ZINC000085597037 KJ Annotated Mild in-vitro biogenic CNC[C@]12CC[C@H](CC#COc3c(NC(=N)NC)cc(CC/C=C/C(=O)CCc4ccc(O)c(OC)c4)cc3O1)C2 ZINC000085597055 KJ Annotated Mild in-vitro biogenic CC[C@@H](CC=O)CC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(OC)c1 ZINC000085597066 KJ Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(OCCNC)c1 ZINC000085597076 KJ Annotated Mild in-vitro biogenic CNCCOc1cc(CC/C=C/C(=O)CCc2ccc(O)c(OC)c2)cc(NC(=N)NC2CCCCC2)c1O ZINC000085597093 KJ Annotated Mild in-vitro biogenic CNC(=N)N[C@H]1CCC[C@H]2Oc3cc(ccc3O)C[C@H]3[C@@H](C#C[C@H]12)C=C[C@H]1[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc4cccnc4)c2)O[C@H]13 ZINC000085597190 KJ Annotated Mild in-vitro biogenic CNC(=N)N[C@H]1CCC[C@@H]2Oc3cc(ccc3O)C[C@H]([C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)CC#C[C@H]12 ZINC000085597201 KJ Annotated Mild in-vitro biogenic COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)ccc1O ZINC000085597247 KJ Annotated Clean in-vitro biogenic CC[C@@H](O)[C@]1(C)C[C@H](C)[C@@](O)([C@H]2C[C@H](C)[C@H]([C@]3(C)CC[C@H]([C@@H]4CC[C@]5(O4)O[C@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@H]5C)O3)O2)O1 ZINC000085597739 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC(=O)Oc1c2c(cc(OC)c1-3)C(=O)c1cc(C)cc(O)c1C2=O ZINC000085597759 KJ Annotated Clean CNC(=O)c1nc([C@]2(C)CSC([C@]3(C)CSC([C@@H]4CSC([C@]5(C)CSC(C(C)C)=N5)=N4)=N3)=N2)oc1C ZINC000085598281 KJ Annotated Anodyne CNC(=O)c1nc([C@@H]2CSC([C@]3(C)CSC([C@]4(C)CSC([C@]5(C)CSC(C(C)C)=N5)=N4)=N3)=N2)oc1C ZINC000085598283 KJ Annotated Anodyne COc1ccc2c(c1)C[C@H]1[C@H](C=C(COC(=O)c3ccccc3)[C@H](OC(C)=O)[C@H]1OC(=O)c1ccccc1)O2 ZINC000085598736 KJ Annotated Anodyne C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O)[C@@H]1C ZINC000085600297 KJ Annotated Anodyne C=CC/C=C\C=C/[C@@H]1O[C@@H]2C[C@@H]3O[C@@H]4CC[C@@H]5O[C@@H]6C[C@]7(C)O[C@@]8(C)[C@H](C[C@H]7O[C@H]6C[C@H]5O[C@@]4(C)C[C@@]3(C)O[C@H]2C=C[C@@]1(C)O)O[C@H](CCCO)C[C@H]8O ZINC000085600701 KJ Annotated Anodyne CNC(=O)c1nc([C@]2(C)CSC([C@]3(C)CSC([C@H]4CSC([C@]5(C)CSC(C(C)C)=N5)=N4)=N3)=N2)oc1C ZINC000085602653 KJ Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C(=O)O)C[C@@H]4CO)O3)C[C@H]2C)[C@@H]1C ZINC000085603087 KJ Annotated Anodyne COc1cc(O)ccc1[C@@H](O)[C@H](Cc1ccc(O)c(CC=C(C)C)c1)OC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000085611833 KJ Annotated Anodyne COc1cc(O)ccc1[C@H](O)[C@@H](Cc1ccc(O)c(CC=C(C)C)c1)OC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000085611846 KJ Annotated Anodyne in-vitro biogenic CNC[C@H](NC[C@H](C)O)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CCCO)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624105 KJ Annotated Mild in-vitro biogenic CNC[C@H](NC[C@H](C)O)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCCCN)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624146 KJ Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4[C@H](CNC)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624181 KJ Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4[C@H](CNC)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624194 KJ Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H](C1=C[C+]([C@@H](O)COc2cc(CCc3c[c-](CO)c(CCCCCCCN)[o+]3)ccc2O)N=C1)C1CCCC1 ZINC000085624219 KJ Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C([C@H](C4CCCC4)[C@H](CNC)NC[C@H](C)O)C=N3)c2)c[c-]1CO ZINC000085624236 KJ Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C([C@H](C4CCCC4)[C@H](CCCO)NC[C@H](C)O)C=N3)c2)c[c-]1CO ZINC000085624242 KJ Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C([C@H](CNC[C@H](C)O)C4CCCC4)C=N3)c2)c[c-]1CO ZINC000085624246 KJ Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C([C@H](CNC[C@H](C)O)C4CCCC4)C=N3)c2)c[c-]1CO ZINC000085624264 KJ Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H](C)C1=C[C+](CCOc2cc(CCc3c[c-](CO)c(CCCCCCCN)[o+]3)ccc2O)N=C1 ZINC000085624312 KJ Annotated Mild in-vitro biogenic CCN[C@@H](COc1cc(CCc2c[cH-]c(CCCCCCCN)[o+]2)ccc1O)[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1 ZINC000085624319 KJ Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)[C@H](CCCO)NC[C@H](C)O)C=N3)c2)c[c-]1CO ZINC000085624338 KJ Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C([C@H](C)[C@H](CCCO)NC[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624340 KJ Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C([C@H](C)CNC[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624350 KJ Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624368 KJ Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)[C@H](CNC)NC[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624402 KJ Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)[C@H]1C=C[C@H](OC)[C@H](C1)[C@@H]2CCC(C)=O)CO ZINC000085624946 KJ Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)CC[C@@H](COC)[C@H]2CCC(C)=O)CO ZINC000085624961 KJ Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)=O)[C@H](CCCN=C(N)N)COC)c1)CO ZINC000085625047 KJ Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)=O)[C@H](CCCN=C(N)N)COC)c1)CCO ZINC000085625059 KJ Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)[C@H]1C=C[C@H](OC)[C@H](C2)C1 ZINC000085625062 KJ Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)CC[C@H](COC)C2 ZINC000085625081 KJ Annotated Mild in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(OC4CCNCC4)c23)ccc1O ZINC000085625336 KJ Annotated Clean in-vitro biogenic COc1c(O)c(O)cc2c1[C@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc3ccc(O)c(OCN)c3)[C@@H]2[C@H](Cc2ccccc2)C1 ZINC000085625411 KJ Annotated Clean in-vitro biogenic COc1c(O)c(O)cc2c1[C@H]1CC[C@@H]([C@@H](O)CC(=O)CCc3ccc(O)c(OCN)c3)[C@@H]2[C@@H](Cc2ccccc2)C1 ZINC000085625418 KJ Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3(c4cccc(O)c4)CCCC3)c2)ccc1O ZINC000085625494 KJ Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2CO)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCC2)ccc1O ZINC000085625785 KJ Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]23CCC[C@H]2CCc2c3ccnc2N)ccc1O ZINC000085625802 KJ Annotated Clean in-vitro biogenic COc1cc(CCC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)C2(c3ccnc(N)c3)CCCC2)cc(O)c1O ZINC000085625816 KJ Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(N)c2)C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O ZINC000085625855 KJ Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2)C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)ccc1O ZINC000085625863 KJ Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(N)c2)C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)ccc1O ZINC000085625879 KJ Annotated Clean in-vitro biogenic CNC[C@H]1C[C@@H]2CCC[C@H]3NC[C@H]4C#C[C@@H](Cc5ccccc5)[C@H](c5cc(OC)c(O)cc5CO)CC(=O)C[C@H](O)[C@H]4[C@@]23c2cc(O)c(O)cc21 ZINC000085625945 KJ Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@@H]3[C@@H](C#C[C@@H]2Cc2ccccc2)CN[C@H]2CCC[C@@H]4C=Cc5cc(O)c(O)cc5[C@]243)c(CO)cc1O ZINC000085625984 KJ Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@@H]3[C@H](C#C[C@H]2Cc2ccccc2)CN[C@H]2CCC[C@H]4CCc5cc(O)c(O)cc5[C@]423)c(CO)cc1O ZINC000085625987 KJ Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@@H]3[C@H](C#C[C@H]2Cc2ccccc2)CN[C@H]2CCCC[C@]23c2ccc(O)c(O)c2)c(CO)cc1O ZINC000085626041 KJ Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@H](Cc3ccc(O)c(O)c3)CC#C[C@@H]2Cc2ccccc2)ccc1O ZINC000085626154 KJ Annotated Mild in-vitro biogenic CC(C)[C@@H]1CSSC[C@@H]([C@H]2Cc3c4cc(c(OCNC5CCCCC5)c3O[C@@H]2O)CC#Cc2c(ccc(O)c2OCO)CCC(=O)C[C@H](O)CC4)C/N=C(\N)N1 ZINC000085626343 KJ Annotated Reactive in-vitro biogenic CC(C)[C@@H]1CSSC[C@@H]([C@H]2Cc3c4cc(c(OCNCCCc5ccccc5)c3O[C@@H]2O)CC#Cc2c(ccc(O)c2OCO)CCC(=O)C[C@H](O)CC4)C/N=C(\N)N1 ZINC000085626354 KJ Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)O[C@H](O)[C@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626394 KJ Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)O[C@H](O)[C@@H](CC/N=C(\N)NCC(C)C)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626473 KJ Annotated Mild in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1O)OC[C@@H]([C@@H]1CSSC[C@H](C(C)C)NC4=N[C@@H]1CCN4)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626482 KJ Annotated Reactive in-vitro biogenic CNCOc1c2cc3c4c1OC[C@@H](CC/N=C(\N)NCC(C)C)[C@@H]4CCC[C@@H]3C[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626499 KJ Annotated Mild in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)OC[C@H](CC/N=C(\N)NCC(C)C)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626512 KJ Annotated Mild in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)OC[C@H](CC/N=C(\N)NCC(C)C)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626514 KJ Annotated Mild in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc3c4c(c1O)OC[C@H](CC/N=C(\N)NCC(C)C)[C@H]4CCC[C@H]3C[C@@H](O)CC(=O)CC2 ZINC000085626526 KJ Annotated Mild in-vitro biogenic COc1cc2cc(c1OCNCCCc1ccccc1)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC2 ZINC000085626682 KJ Annotated Mild in-vitro biogenic CCCCCCNCOc1c2cc(cc1OC)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626696 KJ Annotated Mild in-vitro biogenic N=C(NC1CCCCC1)N[C@H](CCCC(=O)CC(=O)CCc1ccc(O)c(OC2CCCC2)c1)CC[n+]1cc[nH]c1 ZINC000085626989 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CCCO3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000085627336 KJ Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O ZINC000085627375 KJ Annotated Reactive in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@](CCN=C(N)N)(Cc3ccnc(N)c3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627441 KJ Annotated Mild in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C(=O)C[C@@H](CCN=C(N)N)[C@H]2CCCCC)c(O)c(OC)c1)OC(C)=O ZINC000085627515 KJ Annotated Mild in-vitro biogenic COc1cc(CC[C@H](C[C@@H](O)CCCCCCCc2ccccc2)OC(C)=O)cc(CN2C[C@@H](CCN=C(N)N)CC2=O)c1O ZINC000085627566 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@H](CCc1cc(CN2CCCC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCCCCO ZINC000085627608 KJ Annotated Clean in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@H](Cc3ccc(O)cc3)CC2=O)c(O)c(OC)c1)OC(C)=O ZINC000085627675 KJ Annotated Clean in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CC[C@]2(C#C[C@H]3CCC[C@@H]4C[C@@H](CCN4)Oc4cc(ccc4O)C[C@@H]31)CCN1C[C@@H]3C[C@H](C1)CN(C3)C1(CCCCC1)NC(=N)NC2 ZINC000085627922 KJ Annotated Mild in-vitro biogenic CC[C@@]1(CNC(=N)NC2CCCCC2)C#C[C@H]2CCC[C@H]3C[C@@H](CCN3)Oc3cc(c(CO)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085627960 KJ Annotated Mild in-vitro biogenic CNC(=N)NC[C@]1(C2(C)CCCC2)C#C[C@H]2CCC[C@@H]3C[C@H](CCN3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628018 KJ Annotated Mild in-vitro biogenic CCCCC[C@H](C)[C@@]1(CNC(=N)NC)C#C[C@H]2CCC[C@H]3C[C@@H](CCN3)Oc3cc(c(CO)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628021 KJ Annotated Mild in-vitro biogenic CNC(=N)NC[C@@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(O[C@@H]3CCN[C@H](Cc4ccccc4)C3)c2)OC(C)=O)CC[C@H]1C ZINC000085628172 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1ccc(O)c(OC2CCNCC2)c1)C[C@@H](O)[C@@H]1CC[C@H](C)[C@@H](CNC(=N)NC2CCCCC2)C1 ZINC000085628204 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](O)[C@@H]2CC[C@@H](C)[C@H](CNC(=N)NC3CCCCC3)C2)OC(C)=O)ccc1O ZINC000085628354 KJ Annotated Anodyne in-vitro biogenic C[C@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2cc3c(cc2O)OC#CC2(CCCC2)[C@@H]2C#C[C@@H](O)c4ccc5c6c4[C@H](C=C[C@H]6CN[C@H]5N)C4=CN=C5C=[N+](C=C45)[C@@H]2O3)[C@@H](O)C1 ZINC000085628568 KJ Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@@H](O)c3ccc([C@H](N)NCCc4ccccc4)cc3CC3=CN=C4C=[N+]1C=C34)CC#CO2 ZINC000085628749 KJ Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@@H](O)c3ccc(C(N)N)cc3CC3=CN=C4C=[N+]1C=C34)CC#CO2)[C@H](O)C[C@H](O)CCC ZINC000085628767 KJ Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CC#C[C@H](O)c3ccc([C@H](N)NCCc4ccccc4)cc3CC3=CN=C4C=[N+]2C=C34)c1 ZINC000085628804 KJ Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc(O)c(O[C@H]2CC#C[C@H](O)c3ccc(C(N)N)cc3CC3=CN=C4C=[N+]2C=C34)c1)[C@H](O)C[C@H](O)CCC ZINC000085628810 KJ Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CC#C[C@H](O)c3ccc4c5c3[C@@H](CC[C@@H]5CN[C@H]4N)C3=CN=C4C=[N+]2C=C34)c1 ZINC000085628818 KJ Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@]45CCC[C@H]4C[C@H]4CN[C@@H](N)c6cccc5c64)C3=C2)c1 ZINC000085628855 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@]4(c5cccc(C(N)N)c5)CC[C@H](CCO)C4)C3=C2)c1 ZINC000085628922 KJ Annotated Anodyne in-vitro biogenic NC(N)c1cccc(CC2=CN=C3C=[N+](COc4cc(CCC(=O)C[C@H](O)C[C@H](O)CCC5CCCCC5)ccc4O)C=C23)c1 ZINC000085628960 KJ Annotated Anodyne in-vitro biogenic CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000085628973 KJ Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000085628976 KJ Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000085628980 KJ Annotated Anodyne CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(Cc4cccc([C@H](N)NCCc5ccccc5)c4)C3=C2)c1 ZINC000085629008 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(Cc4cccc(C(N)N)c4)C3=C2)c1)[C@H](O)C[C@H](O)CCC ZINC000085629030 KJ 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)c(-c2ccnc(N)c2)cc1O ZINC000085629392 KJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2CCCCC[C@@H](O)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629398 KJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(Cc2ccnc(NCNC)c2)c(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000085629479 KJ Annotated Anodyne in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2cc(CO)c3c(c2)=C[CH+]N=3)c1 ZINC000085629857 KJ Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2cc(CO)c3c(c2)=C[CH+]N=3)c1 ZINC000085629873 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](C[C@H](O)[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085630869 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@H]([C@H](O)CCC[C@H](CCO)[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631011 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1cc(CCN=C(N)N)c3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)C[C@H](CCO)[C@H]3C1)C(=O)CC2 ZINC000085631046 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](CC=O)c1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631093 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1ccnc(N)c1)C#C[C@H]([C@H](O)CC[C@H]1CC[C@H]3[C@H](CN[C@@H]4CC(=O)CC[C@H]34)C1)C(=O)CC2 ZINC000085631116 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1ccnc(N)c1)C#C[C@H]([C@H](O)CCC[C@H](CCCO)[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631140 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631152 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#C[C@]1(CC[C@@H](CC3([C@@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000085631192 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CCCO)C#C[C@H]([C@H](O)CCCC1([C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)CCCC1)C(=O)CC2 ZINC000085631211 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H]([C@H](CO)Cc1ccccc1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631230 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CCO)C#C[C@H]([C@H](O)CCCC[C@@H]1C[C@@H]3CCC(=O)C[C@H]3NC13CCCCC3)C(=O)CC2 ZINC000085631250 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H]([C@H](CO)CCC(C)C)C#C[C@H]([C@H](O)CCCC[C@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631261 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#C[C@H]([C@H](O)CCCC1([C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)CCCC1)C(=O)CC2 ZINC000085631264 KJ Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CCO)C#C[C@@]1(CC[C@H](CCCCC3CCC(=O)CC3)C[C@H]1O)C(=O)CC2 ZINC000085631272 KJ Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@@H]2CC[C@H](CC3([C@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]2O)ccc1O ZINC000085631285 KJ Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H](C[C@H](O)[C@H](C)O)C#C[C@@]1(CC[C@H](CCCCC3CCC(=O)CC3)C[C@H]1O)C(=O)CC2 ZINC000085631291 KJ Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)CCC[C@H]2CCC[C@H](CCO)C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631374 KJ Annotated Anodyne in-vitro biogenic CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1 ZINC000085631435 KJ Annotated Mild in-vitro biogenic CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3CC[C@@]2(CO)Cc2c[cH-]cn2)c1 ZINC000085631439 KJ Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)CCCC2CCCCC2)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1O ZINC000085631445 KJ Annotated Anodyne in-vitro biogenic CCC[C@H](CO)CCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1 ZINC000085631454 KJ Annotated Anodyne in-vitro biogenic CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]c(CC)n2)c1 ZINC000085631456 KJ Annotated Mild in-vitro biogenic CCC[C@H](CO)CCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1 ZINC000085631534 KJ Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@H](c1ccccc1)C#CC[C@@H](CCCCCCCCO)C(=O)[C@H](O)C(=O)CC2 ZINC000085631602 KJ Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H](C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)[C@H](O)CCO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631800 KJ Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@@H]3[C@@H](O)[C@@H](O)CC[C@@H]3[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)[C@@H](OCCO)CCCC1 ZINC000085631839 KJ Annotated Mild in-vitro biogenic CC[C@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H](C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)[C@H](O)CO)c3)C[C@@H](O)[C@H]2[C@@H](OCCO)CCCC1 ZINC000085631848 KJ Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@@H]3[C@@H](O)[C@@H](O)CC[C@H]3[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)[C@@H](O)CCCC1 ZINC000085631861 KJ Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H](C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)[C@H](O)CO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631864 KJ Annotated Mild in-vitro biogenic CC[C@H]1C#C[C@H]2C=C[C@H](c3ccc(O)c(OCC[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)C[C@@H](O)[C@H]2[C@@H](O)CC[C@H](NC[C@H](C)O)C1 ZINC000085631872 KJ Annotated Mild in-vitro biogenic CC[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H](C[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)[C@H](O)CCO)c2)[C@@H](O)CCCC1 ZINC000085631874 KJ Annotated Mild in-vitro biogenic Nc1cc([C@H](CCOc2cc([C@@H]3C=C[C@H]4C#C[C@@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C3)ccc2O)Cc2c[cH-]cn2)ccn1 ZINC000085631891 KJ Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H](CO)C[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)[C@@H](O)CCCC1 ZINC000085631929 KJ Annotated Mild in-vitro biogenic CC[C@@H]1CCC[C@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(O[C@H](C[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)[C@H](O)CO)c2)CC1 ZINC000085631946 KJ Annotated Anodyne in-vitro biogenic Nc1cc([C@H](CCOc2cc(CC[C@@H](O)[C@H]3CC#C[C@H](CCO)CCCC[C@@H]3O)ccc2O)Cc2c[cH-]cn2)ccn1 ZINC000085631952 KJ Annotated Mild in-vitro biogenic CC[C@H]1CC[C@@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)C[C@@H](NC[C@H](C)O)C1 ZINC000085631966 KJ Annotated Anodyne in-vitro biogenic CC[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OC)c2-c2cc3ccc(O)cc3cc2CO)[C@@H](O)CC[C@@H](NC[C@H](C)O)C1 ZINC000085631979 KJ Annotated Mild in-vitro biogenic Nc1cc([C@H](CCOc2cc(CC[C@@H](O)C[C@@H](O)[C@H]3CCC[C@@H](CCO)CC3)ccc2O)Cc2c[cH-]cn2)ccn1 ZINC000085631988 KJ Annotated Anodyne in-vitro biogenic COc1c(O)ccc(CC[C@@H](O)[C@H]2CC#C[C@@H](CCO)CCCC[C@@H]2O)c1-c1cc2ccc(O)cc2cc1CO ZINC000085632001 KJ Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(OCCCc4ccnc(N)c4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085632011 KJ Annotated Mild in-vitro biogenic CCCC[C@H](CC[C@H](O)C[C@H](O)CCc1ccc(O)c(OCC[C@H](Cc2c[cH-]cn2)c2ccnc(N)c2)c1)NC[C@H](C)O ZINC000085632054 KJ Annotated Anodyne in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OCCCc3ccnc(N)c3)c2)[C@@H](OCCO)CCCC1 ZINC000085632057 KJ Annotated Mild in-vitro biogenic Nc1cc([C@H](CCOc2cc(CC[C@@H](O)C[C@@H](O)CCCCCCCO)ccc2O)Cc2c[cH-]cn2)ccn1 ZINC000085632078 KJ Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H](C(=O)C[C@@H](O)[C@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)c2cccc(O)c2)ccc1O ZINC000085632372 KJ Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCC3)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632429 KJ Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2CC(C)C)ccc1O ZINC000085632432 KJ Annotated Anodyne in-vitro biogenic C[C@H]1O[C@H](C)[C@H]2OC3=CC(=O)c4c(O)c5c6c7c8c9c(c(O)c1c2c9c3c47)C(=O)C[C@]8(O)O[C@@H]6[C@@H](C)O[C@@H]5C ZINC000085637792 KJ Annotated Mild C[C@H]1O[C@H](C)[C@H]2O[C@@]3(O)CC(=O)c4c(O)c5c6c7c8c9c(c(O)c1c2c9c3c47)C(=O)C=C8O[C@H]6[C@@H](C)O[C@@H]5C ZINC000085637797 KJ Annotated Mild C=C(CC/C=C\C=C\C[C@H](C)CC(=O)C[C@H](O)CNC(=O)[C@@H](C)[C@@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000085639999 KJ Annotated Mild in-vitro C=C(CC/C=C\C=C\C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)[C@@H](C)[C@@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000085640004 KJ Annotated Mild in-vitro C=C(CC/C=C\C=C\C[C@H](C)CC(=O)C[C@H](O)CNC(=O)[C@@H](C)[C@@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000085640008 KJ Annotated Mild in-vitro C=C(CC/C=C\C=C\C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)[C@@H](C)[C@@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000085640010 KJ Annotated Mild in-vitro C=C(CC/C=C\C=C\C[C@H](C)CC(=O)C[C@H](O)CNC(=O)C[C@@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000085640013 KJ Annotated Mild in-vitro C=C(CC/C=C\C=C\C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)C[C@@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000085640017 KJ Annotated Mild in-vitro C=C(CC/C=C\C=C\C[C@H](C)CC(=O)C[C@H](O)CNC(=O)C[C@@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000085640018 KJ Annotated Mild in-vitro C=C(CC/C=C\C=C\C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)C[C@@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000085640021 KJ Annotated Mild in-vitro C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000085640393 KJ Annotated Mild COC(=O)c1cc(Sc2cc(C(=O)OC)c3nc4cccc(C(=O)O)c4nc3c2O)cc2nc3c(C(=O)O)cccc3nc12 ZINC000085642109 KJ Annotated Bother COC(=O)C(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@](C)(O)CC(=O)C=C(C)C)CC[C@]42C)O[C@@H](O)[C@]31C ZINC000085642216 KJ Annotated Mild CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5O[C@H]6OC(=O)C[C@]6(O5)[C@H](OC(C)=O)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000085643486 KJ Annotated Anodyne CC(C)[C@@H]1OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H](Cc2ccccc2)N(C)C1=O ZINC000085643633 KJ Annotated Anodyne in-vitro biogenic COC(=O)c1cc(OC)c(OC)c(OC)c1Oc1cc(C(=O)OC)c(-c2c(C(=O)OC)cc(OC)c(OC)c2OC)c(OC)c1OC ZINC000085643923 KJ Annotated Anodyne in-vitro biogenic C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@H]2C[C@@]3(O)c4ccccc4N(C(C)(C)C=C)[C@H]3N2C1=O ZINC000085645403 KJ Annotated Mild C=C1[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(C)(C)[C@H]2O[C@@H]2[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000085646078 KJ Annotated Mild CC(C)=CCc1cccc2c1N[C@H]1N3C(=O)C4=Cc5c([nH]c6ccccc56)C(C)(C)C=CN4C(=O)[C@H]3C[C@@]21O ZINC000085647299 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc(O)c5c4C(=O)c4cc(C)cc(OC)c4C5=O)c2c1)C[C@@](C)(O)CC3=O ZINC000085647466 KJ Annotated Clean C=CC1=C(C)/C(=C/C2=N/C(=C3/CC(=O)c4c3[nH]c(Cc3[nH]c(C=O)c(C=O)c3CC)c4C)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000085648295 KJ Annotated Anodyne COC(=O)n1cc([C@](OC)(c2c[nH]c3cc(Br)ccc23)S(=O)(=O)O)c2ccc(Br)cc21 ZINC000085663216 KJ Annotated Anodyne COc1cc2c(=O)oc3c(OC)c(Oc4cc5c(=O)oc6c7c(cc8c(=O)oc(c4OC)c5c68)OCO7)cc4c(=O)oc(c1OC)c2c34 ZINC000085664821 KJ Annotated Bother Cc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O ZINC000085665203 KJ Annotated Anodyne CC[C@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@](O)(CC)[C@@H](C)C[C@H]1C)[C@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@H]2C)C[C@H]1C ZINC000085727258 KJ Annotated Anodyne in-man CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@](O)(CC)[C@@H](C)C[C@H]1C)[C@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@H]2C)C[C@H]1C ZINC000085727260 KJ Annotated Anodyne in-man CC[C@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@](O)(CC)[C@@H](C)C[C@H]1C)[C@@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@H]2C)C[C@H]1C ZINC000085727263 KJ Annotated Anodyne in-man CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@](O)(CC)[C@@H](C)C[C@H]1C)[C@@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@H]2C)C[C@H]1C ZINC000085727265 KJ Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O ZINC000085728983 KJ Annotated Anodyne in-vitro Cc1cc(O)cc(O)c1C(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O ZINC000085728990 KJ Annotated Anodyne in-vitro Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O ZINC000085728997 KJ Annotated Anodyne in-vitro C=CC1=C(C)[C@@H](CC2=N/C(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C/C)c(C)c3CCC(=O)O)C(CCC(=O)OC)=C2C)NC1=O ZINC000085735448 KJ Annotated Anodyne COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(CCN(C)C)cc1Br)=NO2 ZINC000085736879 KJ Annotated Anodyne COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(CC[N+](C)(C)C)cc1Br)=NO2 ZINC000085736917 KJ Annotated Bother COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)C[C@@](C)(O)O5)c2c1 ZINC000085744290 KJ Annotated Bother COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)C[C@](C)(O)O5)c2c1 ZINC000085744294 KJ Annotated Bother COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)C(=O)C[C@@](C)(O)C5)c2c1)C[C@](C)(O)CC3=O ZINC000085744872 KJ Annotated Anodyne in-vitro biogenic COc1cc2cc3c(c(O)c2c(O)c1-c1c(OC)cc2cc4c(c(O)c2c1OC)C(=O)C[C@](C)(O)C4)C(=O)C[C@](C)(O)C3 ZINC000085762790 KJ Annotated Anodyne COc1cc2c(c(O)c1-c1c(OC)cc(O)c3c1Cc1cc(C)cc(O)c1C3=O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000085763065 KJ Annotated Clean C=CC1=C(C)[C@@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@H]3C(=O)OC)[C@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000085763184 KJ Annotated Anodyne in-man C=CC1=C(C)[C@@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@H]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O ZINC000085763185 KJ Annotated Anodyne in-man C=CC1=C(C)[C@@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@H]3C(=O)OC)[C@H](CCC(=O)O)[C@H]2C)NC1=O ZINC000085763186 KJ Annotated Anodyne in-man C=CC1=C(C)[C@@H](CC2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@H]3C(=O)OC)[C@@H](CCC(=O)O)[C@H]2C)NC1=O ZINC000085763189 KJ Annotated Anodyne in-man CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766768 KJ Annotated Anodyne in-man CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766771 KJ Annotated Anodyne in-man CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766774 KJ Annotated Anodyne in-man CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766777 KJ Annotated Anodyne in-man CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766785 KJ Annotated Anodyne in-man CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766789 KJ Annotated Anodyne in-man CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766791 KJ Annotated Anodyne in-man CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766796 KJ Annotated Anodyne in-man CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766799 KJ Annotated Anodyne in-man CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766802 KJ Annotated Anodyne in-man CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766805 KJ Annotated Anodyne in-man CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)CCCCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000085766807 KJ Annotated Anodyne in-man C#C[C@@H](O)/C=C/CCCCCCC#C[C@@H](O)/C=C\[C@H](O)C#CCCCCCC/C=C/[C@@H](C#C)OC(C)=O ZINC000085772667 KJ Annotated Mild CC[C@H](C)C[C@H](C)C[C@@H](C)/C=C(/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)C/C=C/[C@H](O)C/C=C/[C@H](O)C[C@H](O)CC(=O)O)CO ZINC000085773240 KJ Annotated Anodyne C=Cc1c(C)c2n(c1/C=C1\NC(=O)C(CCC(=O)O)=C1C)CCC1=C(C)C(/C=C3\NC(=O)C(CCC(=O)O)=C3C)=NC1=C2 ZINC000085773293 KJ Annotated Anodyne C=CC1=C(C)[C@H](CC2=N/C(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C/C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000085773435 KJ Annotated Anodyne CC1=C(C[C@H]2C(=O)c3c(O)cccc3C(=O)[C@]2(C)C2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000085776478 KJ Annotated Mild Cc1cc(O)c2c(c1)C(=O)C=C(C1=CC(=O)c3cc(C)c(-c4c(C)cc(O)c5c4C(=O)C=CC5=O)c(O)c3C1=O)C2=O ZINC000085797678 KJ Annotated Mild COC1=CC(=O)c2c(c(-c3c(OC)cc4cc5c(c(O)c4c3O)C(=O)C[C@](C)(O)C5)c3cc(C)cc(O)c3c2O)C1=O ZINC000085807926 KJ Annotated Mild COc1cc([C@@H](O)[C@@H]2c3cc(O)cc(O)c3[C@H](c3ccc(O)c(OC)c3)[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000085811822 KJ Annotated Anodyne COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@@](O)([C@@H](C(=O)NCCCCNC(=O)c4ccccc4)[C@H]2c2ccccc2)[C@H]3OC(C)=O)cc1 ZINC000085813955 KJ Annotated Anodyne C/C=C(/C)C(=O)OC[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)OC[C@@H]1Cc1cc(OC)c(OC)c(OC)c1 ZINC000085833550 KJ Annotated Anodyne in-vitro biogenic COc1cc(C(=O)[C@H](CO)c2cc([C@H]3OC[C@H]4[C@@H](c5cc(OC)c(O)c([C@@H](CO)C(=O)c6ccc(O)c(OC)c6)c5)OC[C@@H]34)cc(OC)c2O)ccc1O ZINC000085835878 KJ Annotated Anodyne COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCc1cc(Br)c(OCCCN(C)C)c(Br)c1)=NO2 ZINC000085836753 KJ Annotated Anodyne COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCc1cc(Br)c(OCCCN(C)C)c(Br)c1)=NO2 ZINC000085836765 KJ Annotated Anodyne COC1=CC(=O)c2c(c(-c3c(OC)cc4c(c3O)C(=O)c3c(O)cc(C)cc3C4=O)c3cc(C)cc(O)c3c2O)C1=O ZINC000085856838 KJ Annotated Mild CC(C)=C[C@H]1C2=C(C(=O)c3c(O)ccc(O)c3C2=O)[C@H]2C1=C1C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]1[C@@H]2C=C(C)C ZINC000085860729 KJ Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)OC[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)OC[C@@H]1Cc1ccc(OC)c(OC)c1 ZINC000085861265 KJ Annotated Anodyne in-vitro biogenic COc1cc2c(c(O)c1-c1c(OC)cc3c(c1O)C(=O)C1=C(C[C@H](C)O[C@@H]1C)C3=O)C(=O)C1=C(C[C@H](C)O[C@@H]1C)C2=O ZINC000085882261 KJ Annotated Mild CC1=C2C[C@@H](C(C)(C)O)CC[C@@]2(C)C[C@@]2(O[C@H]3[C@@H](C(=O)C(C)=C4C[C@H](C(C)(C)O)CC[C@@]43C)C2=O)C1=O ZINC000085882392 KJ Annotated Mild in-man CC1=C2C[C@@H](C(C)(C)O)CC[C@@]2(C)C[C@@]2(O[C@H]3[C@@H](C(=O)C(C)=C4C[C@@H](C(C)(C)O)CC[C@@]43C)C2=O)C1=O ZINC000085882394 KJ Annotated Mild in-man CC1=C2C[C@@H](C(C)(C)O)CC[C@@]2(C)C[C@@]2(O[C@H]3[C@@H](C(=O)C(C)=C4C[C@H](C(C)(C)O)CC[C@]43C)C2=O)C1=O ZINC000085882395 KJ Annotated Mild in-man CC1=C2C[C@@H](C(C)(C)O)CC[C@@]2(C)C[C@@]2(O[C@H]3[C@@H](C(=O)C(C)=C4C[C@@H](C(C)(C)O)CC[C@]43C)C2=O)C1=O ZINC000085882397 KJ Annotated Mild in-man COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C=C(C)C(=O)C3=O ZINC000085885529 KJ Annotated Mild COc1cc2c(-c3c4c(c(O)c5c(O)c(C)c(OC)cc35)C(=O)C[C@@](C)(O)C4)c3c(c(O)c2c(O)c1C)C(=O)C[C@@](C)(O)C3 ZINC000085885738 KJ Annotated Anodyne COc1cc2c(-c3c(OC)c(C)c(O)c4c(O)c5c(cc34)C[C@](C)(O)CC5=O)c3c(c(O)c2c(O)c1C)C(=O)C[C@@](C)(O)C3 ZINC000085885747 KJ Annotated Anodyne COc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5)c2c1)C[C@@](C)(O)CC3=O ZINC000085897620 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C[C@](C)(O)CC3=O ZINC000085897627 KJ Annotated Clean COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)O[C@@H]1C(C)(C)O ZINC000085907186 KJ Annotated Bother in-man COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)O[C@H]1C(C)(C)O ZINC000085907187 KJ Annotated Bother in-man COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)O[C@@H]1C(C)(C)O ZINC000085907188 KJ Annotated Bother in-man COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)O[C@H]1C(C)(C)O ZINC000085907189 KJ Annotated Bother in-man COc1cc2c(c(O)c1[C@@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085907193 KJ Annotated Bother in-man COc1cc2c(c(O)c1[C@@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085907195 KJ Annotated Bother in-man COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085907198 KJ Annotated Bother in-man COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085907199 KJ Annotated Bother in-man COc1cc2c(c(O)c1[C@@H]1c3c(cc(O)c4c(=O)c5cccc(O)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085907222 KJ Annotated Bother in-man COc1cc2c(c(O)c1[C@@H]1c3c(cc(O)c4c(=O)c5cccc(O)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085907224 KJ Annotated Bother in-man COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5cccc(O)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085907227 KJ Annotated Bother in-man COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5cccc(O)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085907229 KJ Annotated Bother in-man Oc1cc(O)c(Oc2cc(O)c(O)c(O)c2Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(O)c(O)c3)c(O)c2)c(O)c1 ZINC000085908931 KJ Annotated Clean Oc1ccc([C@H]2Oc3cc(O)ccc3[C@@H](c3c(O)cc(O)cc3/C=C/c3ccc(O)c(O)c3)[C@@H]2O)cc1 ZINC000085924538 KJ Annotated Clean C=C1OC(=O)c2c(cc3c(C4=C5C=C(O)C(=O)C(O)=C5[C@@H](CCCCCCC)OC4=O)c(O)cc(O)c3c2O)[C@H]1O ZINC000085932600 KJ Annotated Mild COc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C(=O)C(C)=CC3=O ZINC000085949042 KJ Annotated Mild COc1cc(OC)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC(=O)Oc1c-3c(OC)cc2cc3c(c(O)c12)C(=O)C[C@@](C)(O)C3 ZINC000085949542 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC(=O)Oc1c-3c(OC)cc2cc3c(c(O)c12)C(=O)C[C@](C)(O)C3 ZINC000085949547 KJ Annotated Anodyne COc1cc(OC)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC(=O)Oc1cc(O)c2c(c1-3)C(=O)c1cc(C)cc(OC)c1C2=O ZINC000085949558 KJ Annotated Clean CC(C)=CC(=O)NCCCOc1c(Br)cc(CCNC(=O)Cc2ccc(O)cc2)cc1Br ZINC000085952017 KJ Annotated Anodyne CC(C)=CC(=O)NCCCOc1c(Br)cc(CCNC(=O)Cc2ccc(O)cc2)cc1I ZINC000085952020 KJ Annotated Anodyne COc1cc2c(c(O)c1-c1c3c(c(O)c4c(O)cccc14)C(=O)C=C(C)C3=O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000085963311 KJ Annotated Mild Oc1cc(O)cc(Oc2c(O)cc(O)cc2Oc2c(O)c(-c3c(O)cc(O)cc3O)c(O)c(-c3c(O)cc(O)cc3O)c2O)c1 ZINC000085965010 KJ Annotated Anodyne CC(=O)Oc1cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)c1 ZINC000085973987 KJ Annotated Anodyne O=C(C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)cc1O)c1ccc(O)cc1O ZINC000085979382 KJ Annotated Mild O=C(c1ccc(O)cc1O)c1cc2cc(O)c(O)cc2c(-c2ccc(O)cc2)c1C(=O)c1ccc(O)cc1O ZINC000085979384 KJ Annotated Clean Cc1c(OS(=O)(=O)O)cc(/C=C/C=C/C=C/C=C/c2[nH]cc(Br)c2Br)oc1=O ZINC000085989348 KJ Annotated Anodyne CC[C@@H](C)C1=N[C@](C(=O)N/C=C\c2c[nH]c3cc(Br)c(Br)cc23)(C(C)C)NC1=O ZINC000085991186 KJ Annotated Anodyne COc1ccc(-c2c3n(c4c(=O)oc5cc(OC)c(O)cc5c24)CCc2cc(O)c(OC)cc2-3)cc1O ZINC000085994992 KJ Annotated Anodyne COc1cc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2O)ccc1O ZINC000085995000 KJ Annotated Anodyne COc1ccc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)[C@H](O)Cc2c-3cc(OC)c(OC)c2OC)cc1O ZINC000085995007 KJ Annotated Anodyne COc1c([C@@H]2c3c(cc(O)c(O)c3OC)C=C(C(=O)c3ccc(O)cc3)[C@@H]2C(=O)c2ccc(O)cc2)ccc(O)c1O ZINC000085996827 KJ Annotated Mild COc1c([C@H]2c3c(cc(O)c(O)c3OC)C=C(C(=O)c3ccc(O)cc3)[C@H]2C(=O)c2ccc(O)cc2)ccc(O)c1O ZINC000085996830 KJ Annotated Mild in-vitro biogenic C/C(=C\C(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=O)C[C@@H]1C[C@H](O)[C@](O)(C/C=C/[C@H](C)[C@@H](C)O)CO1 ZINC000085998596 KJ Annotated Anodyne in-vitro C/C(=C\C(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=O)C[C@@H]1C[C@H](O)[C@](O)(C/C=C/[C@@H](C)[C@@H](C)O)CO1 ZINC000085998597 KJ Annotated Anodyne in-vitro COc1cc2c(c(O)c1-c1c(OC)cc(O)c3c(O)c4c(cc13)C[C@@](C)(O)CC4=O)C(=O)c1c(O)cc(C)cc1C2 ZINC000085999781 KJ Annotated Anodyne CC/C(=C\C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1nccs1)C(C)C)OC ZINC000086021875 KJ Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C\Cl)C/C(=C\C(=O)N1C(=O)C=C(OC)[C@H]1CO)OC)OC ZINC000086025412 KJ Annotated Mild CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)C/C(=C\C(=O)N1C(=O)C=C(OC)[C@H]1CO)OC)OC ZINC000086025431 KJ Annotated Mild COc1ccccc1CCC1=C(C2=C(CCc3ccccc3OC)C(=O)C(O)=C(C)C2=O)C(=O)C(C)=C(O)C1=O ZINC000086037506 KJ Annotated Mild COc1c(-c2cc(O)c3c(c2O)[C@H](c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)O3)oc2cc(O)c(C)c(O)c2c1=O ZINC000086039298 KJ Annotated Anodyne CC(=O)Oc1ccc(C2=C3C(=C(c4ccccc4)C(=O)C4=C3c3ccc(OC(C)=O)cc3OC4)OC2=O)cc1 ZINC000086039625 KJ Annotated Mild CCC[C@@H]1C[C@@H](OC)C[C@H](C)C[C@@H]2C[C@H](OC(=O)/C=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000086042842 KJ Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1O)[C@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000086046955 KJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@](C)(O)[C@H]2OC(C)=O ZINC000086047077 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@@]1(C)O ZINC000086047124 KJ Annotated Anodyne CC(=O)Oc1cc2oc3c(OC(C)=O)c(-c4ccc(O)cc4)c(OC(C)=O)c(OC(C)=O)c3c2cc1OC(C)=O ZINC000086047375 KJ Annotated Anodyne in-man CC(=O)Oc1ccc(-c2c(OC(C)=O)c(OC(C)=O)c3c(oc4cc(OC(C)=O)c(OC(C)=O)cc43)c2OC(C)=O)cc1 ZINC000086047380 KJ Annotated Anodyne in-man Cc1nc(N)[nH]c1[C@]1(c2c[nH]c3cc(Br)ccc23)NC(c2c[nH]c3cc(Br)ccc23)=NC1=O ZINC000086049405 KJ Annotated Anodyne COc1cc(O)c2c(O)c3c(c(-c4c5c(c(O)c6c(O)c(C)c(OC)cc46)C(=O)C[C@@](C)(O)C5)c2c1)C[C@](C)(O)CC3=O ZINC000086050503 KJ Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2[C@@H]4O[C@]56[C@H]7C[C@]89CCO[C@H]8CCN8CC[C@@]5(c5cccc(OC)c5N6C[C@]4(C7)[C@@H]4OCC[C@]4(C1)[C@H]23)[C@@H]89 ZINC000087496123 KJ Annotated Anodyne in-vitro CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000087496429 KJ Annotated Anodyne fda O=C(O)COc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(O)cc3Oc3cc(O)c(Cl)cc32)ccc1N(CC(=O)O)CC(=O)O ZINC000087515845 KJ Annotated Anodyne in-vitro CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)CC[C@](C)([C@H](C)C(C)C)[C@@H](C(=O)O)[C@]1(C)CC3 ZINC000087529425 KJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@@]3(C)CC(=O)c4c(ccc5c4C(=O)c4ccc([C@H]6C[C@H]7O[C@H]8CC(=O)[C@H](C)O[C@H]8O[C@@H]7[C@@H](C)O6)c(O)c4C5=O)C3)O[C@H]2C)C=CC1=O ZINC000087529566 KJ Annotated Mild CCCN(CCC)S(=O)(=O)c1ccc2c(c1)/C(=C/NNC(=S)Nc1ccc(F)c(Cl)c1)C=N2 ZINC000087722200 KJ Annotated Anodyne O=C1CN(C(=O)C2=C(C3CC3)N3C(=N[C@@H](c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)CCN1 ZINC000088344453 KJ Annotated Anodyne CC(C)(C)OC(=O)N(C1=C(/C=[N+]2\CCc3ccccc32)CC/C1=C\N1CCc2ccccc21)S(=O)(=O)O ZINC000089210079 KJ Annotated Clean O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1C[C@H](F)c2c(Br)sc(Br)c21 ZINC000089468940 KJ Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1C[C@H](F)c2c(Br)sc(Br)c21 ZINC000089468943 KJ Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1C[C@@H](F)c2c(Br)sc(Br)c21 ZINC000089468944 KJ Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1C[C@@H](F)c2c(Br)sc(Br)c21 ZINC000089468945 KJ Annotated Anodyne C#C/C=C1\C[C@H](NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c21 ZINC000089468959 KJ Annotated Mild C#C/C=C1\C[C@@H](NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c21 ZINC000089468961 KJ Annotated Mild CCOC(=O)CNCc1ccc(C2=C(C3=CN=C(C(=O)N[C@H](CO)c4ccc(F)c(Cl)c4)C3)N=NC2)cc1Cl ZINC000089469271 KJ Annotated Anodyne CC[C@@H](COC(=O)C(C)C)Nc1ncc(Cl)c(C2=CN=C(C(=O)N[C@H](COC(=O)C(C)C)c3ccccc3)C2)n1 ZINC000089469445 KJ Annotated Anodyne O=C1Nc2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2N[C@@H]1CSCc1ccccc1F ZINC000009490394 KJ Annotated Anodyne O=C1Nc2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2N[C@H]1CSCc1ccccc1F ZINC000009490395 KJ Annotated Anodyne O=C(c1ccc2c(=O)n(Cc3ccccc3)c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 ZINC000009775370 KJ 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@]56[C@@H](O[C@H]5C(=O)C5(C)C)CCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000095098966 KJ Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@]1(C)[C@@H](C)C[C@@H](OC(=O)c2ccc(O)cc2)[C@@]23C(=C[C@H](O)C[C@@H]21)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000095099050 KJ Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@]1(C)[C@@H](C)C[C@@H](O)[C@@]23C(=C[C@H](OC(=O)c4ccc(O)cc4)C[C@@H]21)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000095099051 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@@H]4[C@H](C)C[C@@H](O)[C@@H](O)C(C)(C)O)[C@@]12C ZINC000095099073 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)[C@@H]2CC[C@]24C[C@]32CC[C@@H]4[C@H](C)C[C@@H](O)[C@@H](O)C(C)(C)O)C1(C)C ZINC000095099074 KJ Annotated Anodyne in-vitro biogenic COC(C)(C)[C@H](O)[C@@H](O)C[C@H](C)[C@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2C[C@H](ON[C@H](C=O)CCC(=O)O)[C@@]13C ZINC000095099078 KJ Annotated Anodyne in-vitro biogenic COc1ccc2c3c(c(=O)n(C)c2c1OC)[C@H]1Oc2c(c(=O)n(C)c4c(OC)c(OC)ccc24)[C@@H](C=C(C)C)[C@@H]1OC3 ZINC000095485894 KJ Annotated Anodyne in-vitro biogenic COc1cc2c(=O)oc3c(OC)c(-c4cc5c(=O)oc6c7c(cc8c(=O)oc(c4OC)c5c68)OCO7)cc4c(=O)oc(c1OC)c2c34 ZINC000095485956 KJ Annotated Bother in-vitro biogenic CC(=O)O[C@H]1[C@@H]2[C@@H](O[C@H]3CC=C(C(=O)O)C(=O)N3C)[C@]3(OC2(C)C)[C@@](C)(O)C[C@H](Cc2ccccc2)C[C@@]3(C)[C@H]1OCc1ccccc1 ZINC000095485997 KJ Annotated Anodyne in-vitro biogenic NCCCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCCC(=O)Nc3ccc4oc(C(=O)N5C[C@H](CCl)c6ccc(O)cc65)cc4c3)c[nH]2)c[nH]1 ZINC000095535798 KJ Annotated Reactive NCCCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)CCCC(=O)Nc3ccc4oc(C(=O)N5C[C@@H](CCl)c6ccc(O)cc65)cc4c3)c[nH]2)c[nH]1 ZINC000095535799 KJ Annotated Reactive Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/N3CCN(CCO)CC3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/N3CCN(CCO)CC3)c2c1O ZINC000095536727 KJ Annotated Mild CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=[N+]43)N2)O1 ZINC000095536802 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H]([C@@H](C)CC)Nc1nc(cs1)CCC/C=C/c1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095536832 KJ Annotated Mild CC(=O)O[C@@H]1CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(C[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](O)[C@H]1O ZINC000095538275 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(C[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)[C@@H]1O ZINC000095538357 KJ Annotated Anodyne C[C@H]1CC/C=C\C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O[C@@H](C)CC/C=C\C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O1 ZINC000095538430 KJ Annotated Anodyne C[C@H]1CC/C=C\C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@@H](O)C(=O)O[C@@H](C)CC/C=C\C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@H](O)C(=O)O1 ZINC000095538431 KJ Annotated Anodyne C[C@H]1CC/C=C\C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@H](O)C(=O)O[C@@H](C)CC/C=C\C=C\CC[C@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)[C@H](O)C(=O)O1 ZINC000095538432 KJ Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CN4C(=O)/C(=N\c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)c5cc(C)ccc54)[C@H](C)C3)c(F)c21 ZINC000095539243 KJ Annotated Mild COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(CN3C(=O)C(c4ccc(OC)c(OC)c4)=C(c4ccc(OC)c(OC)c4)C3=O)C2=O)cc1OC ZINC000095539251 KJ Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CN4C(=O)/C(=N\c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)c5cc(F)ccc54)[C@H](C)C3)c(F)c21 ZINC000095539274 KJ Annotated Mild O=C1NCc2cccc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(n2)-c2nc(co2)-c2nc1co2 ZINC000095539275 KJ Annotated Anodyne CC[C@@H]1C[C@@]1(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1([C@@H](C)S(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NC1CC1 ZINC000095539307 KJ Annotated Anodyne C=CC[C@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC ZINC000095539568 KJ Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(C)=O)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095539753 KJ Annotated Anodyne NCCCCNC(=O)c1nc(NC(=O)c2cc(NC(=O)CCCC(=O)Nc3ccc4oc(C(=O)N5C[C@H](CCl)c6ccc(O)cc65)cc4c3)c[nH]2)c[nH]1 ZINC000095539959 KJ Annotated Reactive NCCCCNC(=O)c1nc(NC(=O)c2cc(NC(=O)CCCC(=O)Nc3ccc4oc(C(=O)N5C[C@@H](CCl)c6ccc(O)cc65)cc4c3)c[nH]2)c[nH]1 ZINC000095539960 KJ Annotated Reactive COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CN4CCNCC4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000095540090 KJ Annotated Reactive Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCSCC4)c3Cl)c2n1 ZINC000095540181 KJ Annotated Bother OCC[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](CCO)cc3)c3ccc([nH]3)c(-c3cc[n+](CCO)cc3)c3ccc([nH]3)c(-c3cc[n+](CCO)cc3)c3ccc2n3)cc1 ZINC000095540303 KJ Annotated Clean COC(=O)[C@H]1O[C@H](Oc2cc3c(c4ccccc24)[C@H]([C@@H](C)Cl)CN3C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095540518 KJ Annotated Reactive CC(C)(C)c1ccc(SCCN)c(CC(=O)c2cc(C(=O)Cc3cc(C(C)(C)C)ccc3SCCN)c(OCCN=C(N)N)cc2OCCN=C(N)N)c1 ZINC000095540641 KJ Annotated Mild O=C(CCCCCCCCCCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12 ZINC000095541975 KJ Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000095542021 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000095542022 KJ Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@H]([C@@H](OC(C)=O)[C@@H]3[C@@H]4CN(C(C)=O)[C@@H]4CC[C@@]3(C)[C@H]1OC(C)=O)C2(C)C ZINC000095542053 KJ Annotated Anodyne CCCCCCCCOc1ccc(NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C2)cc1 ZINC000095542247 KJ Annotated Mild CCCCCCCCOc1ccc(NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C2)cc1 ZINC000095542248 KJ Annotated Mild CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccn4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000095542344 KJ Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)O)c2ccccc2)CC(C)C)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000095542615 KJ Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)O)c2ccccc2)CC(C)C)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000095542616 KJ Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)Cc4ccc(O)cc4)=CC(=O)C3=C(C)C[C@H](O[C@H]3CC(C)=C4C(=O)C=C(COC(=O)Cc5ccc(O)cc5)[C@@H]4[C@H]4OC(=O)[C@@H](C)[C@H]34)[C@@H]12 ZINC000095542854 KJ Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@H]1OCC(C)C ZINC000095542856 KJ Annotated Mild C=C1[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OCC(C)C ZINC000095542857 KJ Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)=C(C)[C@H]1C2(C)C ZINC000095543104 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)=C(C)[C@H]1C2(C)C ZINC000095543105 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)=C(C)[C@H]1C2(C)C ZINC000095543106 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)=C(C)[C@H]1C2(C)C ZINC000095543107 KJ Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(C(=O)c5ccccc5)cc4)C[C@@](O)([C@@H](OCc4ccccc4)[C@@H]12)C3(C)C ZINC000095543268 KJ Annotated Anodyne C#CCCC[C@H](CCCC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)O[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)OC ZINC000095543305 KJ Annotated Mild C#CCCC[C@@H](CCCC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)O[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)OC ZINC000095543306 KJ Annotated Mild Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(Br)ccc4n2)CC1)O3 ZINC000095543861 KJ Annotated Anodyne C=C1[C@H](OCC(C)C)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000095543948 KJ Annotated Mild C=CC/C=C\C=C/[C@H]1O[C@H]2C[C@H]3O[C@H]4CC[C@H]5O[C@H]6C[C@@]7(C)O[C@@]8(C)[C@@H](O)C[C@H](CCCO)O[C@@H]8C[C@@H]7O[C@@H]6C[C@@H]5O[C@]4(C)C[C@]3(C)O[C@@H]2CC[C@@H]1O ZINC000095544005 KJ Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095544604 KJ Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000095544711 KJ Annotated Anodyne CC[C@@H](C)N1CCC2(CC1)N=c1c3c(O)c4c(O)c(C)c5c(c4c1=N2)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5 ZINC000095544783 KJ Annotated Anodyne CCSC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N=C1NCC(=O)N2CC[C@@H](C)[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1C(C)(C)C)C(C)(C)C)[C@@H](C)c1ccccc1)c1nccs1 ZINC000095544788 KJ Annotated Mild CCCC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N=C1NCC(=O)N2CC[C@@H](C)[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1C(C)(C)C)C(C)(C)C)[C@@H](C)c1ccccc1)c1nccs1 ZINC000095544789 KJ Annotated Mild CC(=O)Oc1ccc(/C=C\C(=O)C[C@@H]2O[C@@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000095545317 KJ Annotated Mild COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000095545490 KJ Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000095545491 KJ Annotated Anodyne CSc1nccc(-c2ccc(S(=O)(=O)N3CCN(C[C@H](O)C[C@@H](Cc4ccccc4)C(=O)NCc4c(C)cc(O)cc4C)[C@@H](C(=O)NC(C)(C)C)C3)s2)n1 ZINC000095545751 KJ Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000095546062 KJ Annotated Anodyne O=C1COc2ccc(S(=O)(=O)N3CCC4(CC3)[C@H]3C(=O)N(c5ccccc5)C(=O)[C@H]3CN4C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1 ZINC000095546147 KJ Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@H]([C@@H](OC(C)=O)[C@@H]3[C@@H]4CN[C@@H]4CC[C@@]3(C)[C@H]1OC(C)=O)C2(C)C ZINC000095546437 KJ Annotated Anodyne COC(=O)[C@@H](CSSC[C@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 ZINC000095546960 KJ Annotated Reactive COC(=O)[C@H](CSSC[C@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 ZINC000095546961 KJ Annotated Reactive COC(=O)[C@@H](CSSC[C@@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 ZINC000095546962 KJ Annotated Reactive C=CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@](O)([C@H](C)OC(=O)CCCCC=C)C(C)(C)C([C@@H](O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C ZINC000095547575 KJ Annotated Mild C=CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@](O)([C@H](C)OC(=O)CCCCC=C)C(C)(C)C([C@@H](O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C ZINC000095547576 KJ Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](CC(=O)OCC)[C@@H]3OC ZINC000095547610 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCCCCCc1cc(OC)c3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095547757 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](c1c[nH]c3ccccc13)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095547778 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(Br)c3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095547780 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(I)c3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095547781 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(OC(F)(F)F)c3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095547788 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(C(F)(F)F)c3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095547806 KJ Annotated Mild O=C(CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12)Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12 ZINC000095548023 KJ Annotated Anodyne C/C(=C\[C@H](C)C[C@H](C)OC(=O)CC(=O)c1ccc(O)c(O)c1)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(N)=O ZINC000095548077 KJ Annotated Clean in-vitro CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2[nH]cnc2C(=O)NCCCCNC(=O)c2nc[nH]c2C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000095548133 KJ Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(CCC4CCCC4)c4[nH]c5cc(CCC(=O)N(C)C)ccc5c4CCN3C2=O)cc1OC ZINC000095548214 KJ Annotated Anodyne C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000095548309 KJ Annotated Mild in-vitro biogenic CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000095548701 KJ Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCCNC(N)=O ZINC000095548741 KJ Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@H]2C[C@H]2[C@@H]1C(=O)NCCNC(N)=O ZINC000095548742 KJ Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](c2ccccc2)NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@H]2N=C1O[C@@H]2C ZINC000095548744 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095548769 KJ Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@@H](C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000095548771 KJ Annotated Anodyne C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCCCCCCNC(=O)c4cn5c6c(c(N7CCN(C)CC7)c(F)cc6c4=O)OC[C@@H]5C)cn1c23 ZINC000095549089 KJ Annotated Anodyne C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCCCCCCCNC(=O)c4cn5c6c(c(N7CCN(C)CC7)c(F)cc6c4=O)OC[C@@H]5C)cn1c23 ZINC000095549096 KJ Annotated Anodyne CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@@]2(OC(C)=O)C[C@@]1(C)OC(=O)C(C)C)[C@@H]3[C@@H](C(C)(C)OC(C)=O)C=C[C@H]4OC(C)=O ZINC000095549505 KJ Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000095550100 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000095550101 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000095550225 KJ Annotated Mild CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000095550226 KJ Annotated Mild CCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000095550249 KJ Annotated Mild CCSCCCCCCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000095550256 KJ Annotated Clean CC(=O)NNc1nc(C)c(C(/C=C/c2ccc(/C=C/C(=N\NC(=O)c3ccncc3)c3sc(NNC(C)=O)nc3C)cc2)=N/NC(=O)c2ccncc2)s1 ZINC000095550365 KJ Annotated Reactive CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(=O)c2ccccc2)[C@@H]1OCC(C)C ZINC000095550519 KJ Annotated Anodyne CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@@]2(OC(C)=O)C[C@@]1(C)OC(=O)c1cccnc1)[C@@H]3[C@@H](C(C)(C)OC(C)=O)C=C[C@H]4OC(C)=O ZINC000095551498 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3cc1O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095551503 KJ Annotated Mild CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\OCC(=O)NCCOCCOCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1 ZINC000095551534 KJ Annotated Mild CC1(C)OC[C@H]2O[C@@H]3O[C@]4(COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2O1)O[C@H](COC(=O)/C=C/c1ccccc1)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@H]4OC(=O)/C=C/c1ccccc1 ZINC000095551741 KJ Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000095551969 KJ Annotated Clean CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000095551970 KJ Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](COS(=O)(=O)Cc3ccccc3)c3c2cc([N+](=O)[O-])c2cc(C(N)=O)ccc32)cc1 ZINC000095552200 KJ Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@@H](COS(=O)(=O)Cc3ccccc3)c3c2cc([N+](=O)[O-])c2cc(C(N)=O)ccc32)cc1 ZINC000095552201 KJ Annotated Mild COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(SC)cn1 ZINC000095552604 KJ Annotated Anodyne N#Cc1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCO)ccc2[nH]1)C[C@H]3COS(=O)(=O)Cc1ccccc1 ZINC000095553721 KJ Annotated Mild N#Cc1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCO)ccc2[nH]1)C[C@@H]3COS(=O)(=O)Cc1ccccc1 ZINC000095553722 KJ Annotated Mild CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(N)=O)ccc43)cc2c1 ZINC000095554042 KJ Annotated Mild CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(N)=O)ccc43)cc2c1 ZINC000095554043 KJ Annotated Mild Cc1c(Cl)ccc(OC2CCN(C3CCN(/C(O)=N/S(=O)(=O)c4ccc(N(C)C)cc4)CC3)CC2)c1Cl ZINC000095554464 KJ Annotated Mild COc1cc2cc(C(=O)N3C[C@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(N)=O)ccc43)[nH]c2c(OC)c1OC ZINC000095554634 KJ Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(N)=O)ccc43)[nH]c2c(OC)c1OC ZINC000095554635 KJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)N2CCC(N3CCC(Oc4ccc(Cl)cc4Cl)CC3)CC2)cc1 ZINC000095555550 KJ Annotated Mild CCN(CC)C(=O)Oc1ccc(C[C@@H]2CN(Cc3cncn3C)c3ccc(C#N)cc3CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000095555667 KJ Annotated Mild CCOC(=O)ON(C)C(=O)CO[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000095556008 KJ Annotated Mild CCOC(=O)ON(C)C(=O)CO[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000095556009 KJ Annotated Mild COc1cc2[nH]c(-c3cccc(Oc4ccccc4)c3)c(C(=O)OCCN3CCOCC3)c(=O)c2cc1F ZINC000095556503 KJ 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](OC(=O)NCCN(C)C)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095558135 KJ Annotated Anodyne Cc1cc(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cc(C)no4)cc3)cc2)on1 ZINC000095558308 KJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000095558312 KJ Annotated Mild CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6cccc(Cl)c6)nn45)c3n2)CC1 ZINC000095558329 KJ Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CNC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558490 KJ Annotated Anodyne CCN(CC)CCCNCC(=O)Nc1cc(Cl)ccc1-c1nc(NCCCN(C)C)c2ccccc2n1 ZINC000095558537 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)N1CC(C1)OCCC/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095558562 KJ Annotated Mild Cn1c(C(=O)NN2C(=O)CCS[C@H]2c2ccc(Cl)cc2)cc(Br)c1Br ZINC000095558601 KJ Annotated Anodyne Cn1c(C(=O)NN2C(=O)CCS[C@@H]2c2ccc(Cl)cc2)cc(Br)c1Br ZINC000095558602 KJ Annotated Anodyne CNC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558668 KJ Annotated Anodyne CCCCNc1ncnc2c1ncn2C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000095558733 KJ Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095559565 KJ Annotated Anodyne CN(C)CCCN(C)CCNC(=O)c1cccn1S(=O)(=O)c1ccc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1 ZINC000095559744 KJ Annotated Reactive C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)N1CCC[C@@H](C1)OCCCc1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095559770 KJ Annotated Mild CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(C)=O)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095559776 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1COC[C@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095559783 KJ Annotated Mild Cc1c(Cc2ccc(=O)n(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)n2)c2cc(F)ccc2n1CC(=O)O ZINC000095559829 KJ Annotated Mild CCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCC)c(C)c2C)nc2ccccc21 ZINC000095559831 KJ Annotated Reactive COc1ccc(C(=O)ON=C2C[C@@H](c3ccc(O)c(OC)c3)N(C)[C@@H](c3ccc(O)c(OC)c3)C2)cc1 ZINC000095559948 KJ Annotated Mild COc1ccc(C(=O)ON=C2C[C@H](c3ccc(O)c(OC)c3)N(C)[C@@H](c3ccc(O)c(OC)c3)C2)cc1 ZINC000095559949 KJ Annotated Mild COc1ccc(C(=O)ON=C2C[C@@H](c3ccc(O)c(OC)c3)N(C)[C@H](c3ccc(O)c(OC)c3)C2)cc1 ZINC000095559950 KJ Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(=O)N6CCOCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095560236 KJ Annotated Anodyne Cn1c(C(=O)NN2C(=O)CCS[C@H]2C/C=C/c2ccccc2)cc(Br)c1Br ZINC000095560271 KJ Annotated Anodyne Cn1c(C(=O)NN2C(=O)CCS[C@@H]2C/C=C/c2ccccc2)cc(Br)c1Br ZINC000095560272 KJ Annotated Anodyne COc1ccc(C(=O)ON=C2C[C@@H](c3ccc(O)c(OC)c3)N(C)[C@@H](c3ccc(O)c(OC)c3)C2)c(OC)c1 ZINC000095560647 KJ Annotated Mild COc1ccc(C(=O)ON=C2C[C@H](c3ccc(O)c(OC)c3)N(C)[C@@H](c3ccc(O)c(OC)c3)C2)c(OC)c1 ZINC000095560648 KJ Annotated Mild COc1ccc(C(=O)ON=C2C[C@@H](c3ccc(O)c(OC)c3)N(C)[C@H](c3ccc(O)c(OC)c3)C2)c(OC)c1 ZINC000095560649 KJ Annotated Mild COc1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCN(C)CC4)cc3)cn2)c1C ZINC000095560960 KJ Annotated Clean CCOC(=O)c1ccc(NC(=O)CSc2nncnc2-c2ccccc2Cl)c(Br)c1 ZINC000095560972 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1COC[C@H]1CCC/C=C/c1cc3ccc(OC)cc3nc1O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095561294 KJ Annotated Mild C[C@@H]1C[C@H]([C@H](OC(=O)N(C)C)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 ZINC000095561395 KJ Annotated Anodyne COc1cc([C@@H]2CC(=NOC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095561479 KJ Annotated Mild COc1cc([C@H]2CC(=NOC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095561480 KJ Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095561481 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)N1CC(OCC)(CCCCc3cc4c(cc(OCC)nc4cc3OC)O2)C1)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095561901 KJ Annotated Mild O=C1N=C(NCc2cccc(CNC3=NC(=O)/C(=C/c4ccc(O)cc4)S3)c2)S/C1=C\c1ccc(O)cc1 ZINC000095561904 KJ Annotated Clean CCC(CC)Nc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O ZINC000095562331 KJ Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)cc1NC(=O)CCC(=O)O ZINC000095562481 KJ Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CNC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562544 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)N1CCO[C@H](CCCCc3cc4c(cc(OCC)nc4cc3OC)O2)C1)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095563293 KJ Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N[C@H]5CCNC5=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095563359 KJ Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N[C@@H]5CCNC5=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095563443 KJ Annotated Anodyne O=C(C1CC1)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6ccc(F)cc6)nn45)c3n2)CC1 ZINC000095563583 KJ 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](OC(=O)N6CCOCC6)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095563705 KJ 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[C@H]6CN(C(=O)c7nccn7C)CCO6)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095563792 KJ Annotated Anodyne O=C1N=C(NC[C@H]2CCC[C@@H](CNC3=NC(=O)/C(=C/c4ccc(O)cc4)S3)C2)S/C1=C\c1ccc(O)cc1 ZINC000095563826 KJ Annotated Clean O=C1N=C(NC[C@@H]2CCC[C@@H](CNC3=NC(=O)/C(=C/c4ccc(O)cc4)S3)C2)S/C1=C\c1ccc(O)cc1 ZINC000095563827 KJ Annotated Clean O=C1N=C(NC[C@H]2CCC[C@H](CNC3=NC(=O)/C(=C/c4ccc(O)cc4)S3)C2)S/C1=C\c1ccc(O)cc1 ZINC000095563828 KJ Annotated Clean C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OC1CC(C/C=C/c3cc4c(cc(OCC)nc4cc3OC)O2)C1)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095563861 KJ Annotated Mild CC(C)[C@@H](OC(N)=O)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CNC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095564038 KJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)N(N1CCOCC1)c1ccccc12 ZINC000095564106 KJ 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[C@H]6CN(C(=O)C7(C)COC7)CCO6)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095564116 KJ Annotated Anodyne Cc1cccc2c1N(C(=O)c1cc(CN3CCC(C#N)(c4ccccn4)CC3)c3ccccn3c1=O)CCC2 ZINC000095564137 KJ Annotated Mild CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccc1 ZINC000095564208 KJ Annotated Anodyne CC(=O)OC[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095564239 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@H]1CC[C@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095564248 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@H]1CC[C@@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095564249 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CC[C@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095564250 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CC[C@@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095564251 KJ Annotated Mild COc1ccccc1S(=O)(=O)Nc1cc(-c2cc(NC(=O)c3csc(CN4C[C@H](C)O[C@H](C)C4)n3)c3cn[nH]c3c2)cnc1OC ZINC000095564487 KJ Annotated Anodyne CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C#N)cc1)O2 ZINC000095564534 KJ Annotated Mild COc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095564622 KJ Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(Cl)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095564672 KJ Annotated Anodyne COc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C(F)(F)F)cc4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000095564676 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095564820 KJ Annotated Anodyne C=CCO[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H](Oc2ccc(I)cc2)O[C@@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]1O ZINC000095564906 KJ Annotated Mild C=CCO[C@@H]1[C@H](OC(=O)Cc2ccccc2)[C@H](Oc2ccc(I)cc2)O[C@@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]1O ZINC000095565291 KJ Annotated Mild O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000095565382 KJ Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095565785 KJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000095566144 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCN2CCCC2=O)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095566314 KJ Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095566331 KJ Annotated Anodyne CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095566437 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095566576 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000095566598 KJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095566666 KJ Annotated Anodyne CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095566715 KJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095566735 KJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000095566760 KJ Annotated Anodyne CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095566905 KJ Annotated Anodyne O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000095566931 KJ Annotated Anodyne CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095566944 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095567004 KJ Annotated Anodyne CN(CCc1ccccc1)[C@H](C(=O)c1ccc2c(c1)OCO2)c1nnnn1-c1ccccc1NC(=O)OC(C)(C)C ZINC000095567022 KJ Annotated Anodyne CN(CCc1ccccc1)[C@@H](C(=O)c1ccc2c(c1)OCO2)c1nnnn1-c1ccccc1NC(=O)OC(C)(C)C ZINC000095567023 KJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4cc(CCC(=O)N(C)C)ccc34)[C@]12C ZINC000095567113 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)NC1CCCCC1 ZINC000095567170 KJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095567186 KJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095567187 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095567241 KJ Annotated Mild C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095567251 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095567259 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095567320 KJ Annotated Anodyne C[C@@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095567374 KJ Annotated Anodyne CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095567388 KJ Annotated Anodyne COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095567398 KJ Annotated Anodyne COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095567399 KJ Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OCC)CCCC=C3N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000095567409 KJ Annotated Anodyne COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095567427 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095567461 KJ Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095567462 KJ Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(F)cc5c4OCOC5)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000095567521 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095567722 KJ Annotated Mild C#CCN(C[C@H]1[C@H](OC(=O)Nc2c(C)noc2C)[C@H](OC(=O)Nc2c(C)noc2C)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1 ZINC000095567765 KJ Annotated Mild CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095567772 KJ Annotated Anodyne CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095567915 KJ Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCC2CCCC2)[C@@H](C(=O)N2CCOCC2)C[C@H](CC(=O)NC(C)(C)C)C(=O)N1CC3 ZINC000095567946 KJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095568049 KJ Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095568053 KJ Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095568054 KJ Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OC)CCCCC=C3N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000095568125 KJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095568153 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095568169 KJ Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OC)CC(C)(C)CC=C3N(Cc3cccc4ccccc34)C2=O)CC1 ZINC000095568219 KJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000095568223 KJ Annotated Anodyne CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095568254 KJ Annotated Anodyne CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095568290 KJ Annotated Anodyne CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095568355 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095568378 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095568506 KJ Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000095568519 KJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095568684 KJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095568685 KJ Annotated Anodyne C#CCN(C[C@@H]1[C@@H](OC(=O)Nc2cccs2)[C@@H](OC(=O)Nc2cccs2)Cn2c(=O)n(CCCCCC)c(=O)n21)S(=O)(=O)c1ccc(C)cc1 ZINC000095568690 KJ Annotated Mild CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095568712 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)OCC)CC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095568755 KJ Annotated Mild CN(C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000095568771 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3C[C@H]2c2cccc(Cl)c2)cc1 ZINC000095568772 KJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000095568776 KJ Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc2ccccc2F)[C@@H](C)CO3)c1 ZINC000095568810 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095568834 KJ Annotated Anodyne CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc12 ZINC000095568874 KJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095569046 KJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095569047 KJ Annotated Anodyne O=C1NC[C@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095569131 KJ Annotated Anodyne CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(Cc1ccccc1)C(=O)c1cc(F)c(F)cc12 ZINC000095569191 KJ Annotated Anodyne C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095569436 KJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000095569494 KJ Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCCC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095569557 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095569696 KJ Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000095569746 KJ Annotated Bother CC(C)C[C@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2CCC2CCCCC2)C(=O)C(=O)N1CCC1CCCCC1 ZINC000095569773 KJ Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000095569812 KJ Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000095569813 KJ Annotated Anodyne C[C@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095569856 KJ Annotated Anodyne O=C1NC[C@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095569889 KJ Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@H]2CC(C)C)C(=N)N1CCCC1CCCC1 ZINC000095569909 KJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)c3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000095569939 KJ Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NC2CCCC2)[C@H](OC(=O)NC2CCCC2)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1 ZINC000095569945 KJ Annotated Mild C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095569996 KJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)c3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000095570048 KJ Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCc2ccccc2)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NCCCn2ccnc2)C(=O)N1CC3 ZINC000095570066 KJ Annotated Anodyne Oc1nc2ccccc2n1C1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095570070 KJ Annotated Anodyne Oc1nc2ccccc2n1C1CCN([C@H](c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095570071 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095570130 KJ Annotated Anodyne CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095570251 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4CC(=O)[C@H]3[C@@H]2c2cccc3ccccc23)cc1 ZINC000095570260 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000095570270 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095570289 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095570310 KJ Annotated Anodyne C[C@@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095570320 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095570336 KJ Annotated Anodyne O=C1N[C@@H](c2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000095570371 KJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095570399 KJ Annotated Anodyne CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095570406 KJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2cc(Br)ccc2F)cc1 ZINC000095570414 KJ Annotated Anodyne N#Cc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095570416 KJ Annotated Mild N#Cc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095570417 KJ Annotated Mild O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccncc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570451 KJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccncc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570452 KJ Annotated Anodyne CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095570469 KJ Annotated Anodyne CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095570484 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)OCC)CC2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095570560 KJ Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095570605 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095570641 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)OCC)CC2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095570645 KJ Annotated Mild C#CCN(C[C@@H]1[C@@H](OC(=O)NC2CCCC2)[C@@H](OC(=O)NC2CCCC2)CN(C(=O)OC(C)C)N1C(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000095570678 KJ Annotated Mild CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095570739 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095570760 KJ Annotated Anodyne CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095570815 KJ Annotated Anodyne CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095570845 KJ Annotated Anodyne Cc1cccc(C)c1N1CCN([C@@H](c2ccnc3ccccc23)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095570893 KJ Annotated Anodyne Cc1cccc(C)c1N1CCN([C@H](c2ccnc3ccccc23)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095570894 KJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095570929 KJ Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 ZINC000095570960 KJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095571200 KJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095571201 KJ Annotated Anodyne C[C@@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095571334 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095571391 KJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095571446 KJ Annotated Anodyne CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095571488 KJ Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095571551 KJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095571574 KJ Annotated Mild Cc1ccc(N2[C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)NC(=O)[C@@H]4CC[C@@H](I)[C@H]2[C@@H]43)cc1 ZINC000095571894 KJ Annotated Reactive COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCC(=O)NC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095572173 KJ Annotated Anodyne COc1ccc(-c2cc(N3CCn4ccnc4C3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)cc1OC ZINC000095572894 KJ Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095572960 KJ Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(=O)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095573692 KJ Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)CCSC)c(Cl)c2)cc1 ZINC000095573949 KJ Annotated Mild COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(F)CCOCC4)c(OC)nn23)c(OC)c1 ZINC000095574041 KJ Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CNCCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095574124 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCNCCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095574608 KJ Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)CSC)c(Cl)c2)cc1 ZINC000095574625 KJ Annotated Mild COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCCCCCCn2cnc3cncnc32)OCO4)cc(OC)c1OC ZINC000095574777 KJ Annotated Reactive CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(=O)N(C)C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095574850 KJ Annotated Anodyne NS(=O)(=O)c1ccc(-n2nc(Nc3ccc([N+](=O)[O-])cc3)c3c(=O)n(-c4ccccc4)c(Nc4ccccc4)nc32)cc1 ZINC000095574875 KJ Annotated Bother Nc1cc(Br)c(-c2nn3c(CCC(=O)c4nc5ccccc5[nH]4)nnc3s2)c(Br)c1 ZINC000095574993 KJ Annotated Anodyne COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@@H]4CCCOC4)c(OC)nn23)c(OC)c1 ZINC000095575088 KJ Annotated Anodyne COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@H]4CCCOC4)c(OC)nn23)c(OC)c1 ZINC000095575089 KJ Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(S(C)(=O)=O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095575370 KJ Annotated Anodyne CC(C)Oc1cccc(CN2CC[C@@]3(C[C@@H]2C)CN(c2ncco2)S(=O)(=O)N3c2cccc(F)c2)c1 ZINC000095575726 KJ Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4c(F)cccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095575808 KJ Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(F)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095575817 KJ Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)c3ccco3)c(Cl)c2)cc1 ZINC000095576453 KJ Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCN6CCOCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095576658 KJ Annotated Anodyne Cc1cn(-c2ccc(/C=C3\OC(C)(C)CN([C@H](c4cc(F)c(F)c(F)c4)[C@@H](C)O)C3=O)cc2F)cn1 ZINC000095576707 KJ Annotated Anodyne CC(C)(C)OC(=O)Cc1ccc2c(NC(=O)N3[C@H](C(=O)NCc4cccc(Cl)c4F)C[C@H]4C[C@H]43)cn(C(N)=O)c2c1 ZINC000095577519 KJ Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(OC)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095577924 KJ Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(C#N)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095578042 KJ Annotated Mild Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](CCN)C(=O)O)c(C)c3)c2)c(C)cc1Cl ZINC000095578068 KJ Annotated Anodyne COCc1cc(OC)c(-c2csc3c(N(CC4CCOCC4)CC4CC4)c(OC)nn23)c(OC)c1 ZINC000095578215 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCOCCOCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095578756 KJ Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCO)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095578849 KJ Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCOCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095579354 KJ Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(O)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095579874 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4c(Cl)cccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095579882 KJ Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc([C@H]3CC=CC[C@H]3NC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580113 KJ Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc([C@H]3CC=CC[C@@H]3NC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580114 KJ Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc([C@@H]3CC=CC[C@H]3NC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580115 KJ Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc([C@@H]3CC=CC[C@@H]3NC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580116 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(Cl)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095580311 KJ Annotated Anodyne NCCCCNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000095580647 KJ Annotated Anodyne CC(C)Oc1cc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)n(C)n1 ZINC000095580828 KJ Annotated Mild Cc1cc(S(=O)(=O)Nc2nncs2)c(F)cc1Oc1ccc(OC(F)(F)F)cc1-c1ccnnc1 ZINC000095580923 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(OC(F)F)cc2C2CCNCC2)cc1F ZINC000095581066 KJ Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)cn3)cc2C#N)cc1 ZINC000095581073 KJ Annotated Mild COC(=O)c1cc(-c2ccc(NC(=O)c3nc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cc2)cn1C ZINC000095581195 KJ Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(C#N)c1 ZINC000095581197 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1C1=CN(O)CC=C1 ZINC000095581285 KJ Annotated Mild Cn1nccc1-c1ccc(I)cc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095581302 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1C1CCOCC1 ZINC000095581323 KJ Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2cccnn2)cc1F ZINC000095581353 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2ccc(C(F)(F)F)n2)c(F)c1 ZINC000095581375 KJ Annotated Mild Cn1nccc1-c1cc(I)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095581417 KJ Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095581447 KJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095581457 KJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095581458 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C(F)F ZINC000095581474 KJ Annotated Mild N#Cc1ccc(COc2ccccc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000095581496 KJ Annotated Mild CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)C1 ZINC000095581522 KJ Annotated Mild Cc1cncc(Oc2cccc(CNC(=O)[C@@H](C#N)c3nc4ccccc4nc3N3CCCCCC3)c2)n1 ZINC000095581637 KJ Annotated Mild Cc1cncc(Oc2cccc(CNC(=O)[C@H](C#N)c3nc4ccccc4nc3N3CCCCCC3)c2)n1 ZINC000095581638 KJ Annotated Mild COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)(O)O2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095581740 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C1CNC1 ZINC000095581755 KJ Annotated Mild COC1=C(OC)C(=O)C(CCCCCCCCCCOCc2cccc(S(=O)(=O)O)c2)=C(C)C1=O ZINC000095582002 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(F)s2)ccc1Oc1ccc(I)cc1-c1ccn[nH]1 ZINC000095582015 KJ Annotated Mild COCc1cc(C(F)F)nn1-c1cccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095582018 KJ Annotated Mild COCc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)ccc1-n1cc(Cl)cn1 ZINC000095582036 KJ Annotated Mild CCOCn1nncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095582038 KJ Annotated Mild CN(C)c1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)ccn1 ZINC000095582042 KJ Annotated Mild Cc1[nH]ncc1-c1cc(C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095582051 KJ Annotated Mild CN1CCC(c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)CC1 ZINC000095582052 KJ Annotated Anodyne CCN1CC(n2nccc2-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)C1 ZINC000095582225 KJ Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nncs3)cc2C#N)cc1 ZINC000095582287 KJ Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Br)c1Cl ZINC000095582395 KJ Annotated Anodyne CN1CCC(n2nccc2-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)CC1 ZINC000095582401 KJ Annotated Mild O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccnn2C2CNC2)cc1F ZINC000095582419 KJ Annotated Anodyne CCN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)C1 ZINC000095582558 KJ Annotated Anodyne Cn1nccc1-c1cc(OC(F)(F)F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095582570 KJ Annotated Mild CC(=O)N1CC(n2nccc2-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)C1 ZINC000095582583 KJ Annotated Anodyne CCOC(=O)c1nc(NC(=O)c2cc(-c3ccc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cc3)cn2C)cn1C ZINC000095582599 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccn[nH]2)cc1F ZINC000095582643 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(OC(F)(F)F)cc1-c1cn[nH]c1 ZINC000095582650 KJ Annotated Mild CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)C1 ZINC000095582667 KJ Annotated Anodyne Nc1n[nH]cc1-c1cc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000095582698 KJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2ccc(SC)cc2)C1 ZINC000095582709 KJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(SC)cc2)C1 ZINC000095582710 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cnn(CC(F)(F)F)c2N)cc1 ZINC000095582745 KJ Annotated Mild CCCC[C@@H](OC(=O)CN(C)C)c1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[C@@H](CCCC)OC(=O)CN(C)C)CO[C@H]12 ZINC000095582795 KJ Annotated Anodyne Nc1nccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncc(Cl)s3)cc2F)n1 ZINC000095582800 KJ Annotated Anodyne CSc1nc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C)c(C#N)c2)ns1 ZINC000095582801 KJ Annotated Mild CSc1nnc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C)c(C#N)c2)s1 ZINC000095583097 KJ Annotated Mild CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncccn3)cc2Cl)C1 ZINC000095583154 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)nn2C2CNC2)cc1 ZINC000095583246 KJ Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cc1 ZINC000095583253 KJ Annotated Mild Cc1cccc(COc2ccccc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000095583391 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(OC(F)(F)F)cc1-c1ccnn1C1CNC1 ZINC000095583457 KJ Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2cnccn2)cc1F ZINC000095583469 KJ Annotated Anodyne CC(=O)Oc1cccc(-c2nc3ccccc3c(=O)n2Cc2cn(CCCCn3c(-c4cccc(OS(=O)(=O)O)c4)nc4ccccc4c3=O)nn2)c1 ZINC000095583509 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Br)cc1-c1cn[nH]c1 ZINC000095583546 KJ Annotated Mild O=S(=O)(Nc1nncs1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095583571 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Br)cc1-c1ccn[nH]1 ZINC000095583637 KJ Annotated Mild Nc1cc(-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1 ZINC000095583696 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2F)c(F)c1 ZINC000095583809 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2C2=CCNCC2)cc1F ZINC000095583900 KJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2ccn[nH]2)c(F)c1 ZINC000095583963 KJ Annotated Anodyne CCN1CC(n2nccc2-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)C1 ZINC000095584003 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(I)cc1-c1cn[nH]c1 ZINC000095584032 KJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2cc(F)ccc2F)c(F)c1 ZINC000095584062 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(OC(F)(F)F)cc1-c1cn[nH]c1 ZINC000095584155 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1N ZINC000095584200 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(F)cc1-c1ccnn1CC(F)(F)F ZINC000095584205 KJ Annotated Mild Nc1cccc(-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)n1 ZINC000095584248 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(I)cc1-c1ccn[nH]1 ZINC000095584437 KJ Annotated Mild Cn1nccc1-c1cc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F ZINC000095584557 KJ Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3cnsn3)cc2C#N)cc1 ZINC000095584559 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cnn(C2CNC2)c1 ZINC000095584593 KJ Annotated Mild CC(C)Oc1cc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)n(C)n1 ZINC000095584683 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Br)cc1CN1CCCC1 ZINC000095584767 KJ Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncccn3)cc2C#N)cc1 ZINC000095584780 KJ Annotated Mild C=CCOC(=O)C[C@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000095584869 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(F)c(C(F)(F)F)cc1-c1ccnnc1 ZINC000095584906 KJ Annotated Mild Cn1nccc1-c1cc(C#N)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1F ZINC000095585052 KJ Annotated Mild Cc1c(CCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095585068 KJ Annotated Anodyne CCCC[C@H](OC(=O)CN(C)C)c1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[C@H](CCCC)OC(=O)CN(C)C)CO[C@H]12 ZINC000095585070 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(Cl)c(Cl)cc1-c1ccnnc1 ZINC000095585092 KJ Annotated Mild CC(C)c1nn(-c2ccccc2Cl)cc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095585140 KJ Annotated Mild COC(=O)c1cc(-c2ccc(NC(=O)CCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)cc2)cn1C ZINC000095585161 KJ Annotated Anodyne CCOC(=O)c1ccc(-c2cc3c(cc2N)N[C@@H](CC(C)C)C(=O)N(CCC(C)C)C3)c(OCCO)c1 ZINC000095585175 KJ Annotated Anodyne N#Cc1cncc(-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1 ZINC000095585202 KJ Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095585365 KJ Annotated Anodyne Cn1nccc1-c1ccc(I)cc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1C#N ZINC000095585382 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N2CCNCC2)c1 ZINC000095585457 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(C(F)(F)F)cc1-c1ccnn1C1CNC1 ZINC000095585482 KJ Annotated Mild O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000095585516 KJ Annotated Anodyne Cn1nccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2cscn2)cc1I ZINC000095585627 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cn(CC(F)(F)F)nc2N)cc1 ZINC000095585664 KJ Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095585683 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nncs2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N2CCC2)c1 ZINC000095585769 KJ Annotated Mild C=CCOC(=O)C[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000095585775 KJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1nncn1-c1ccccc1 ZINC000095585806 KJ Annotated Mild O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccnn2CCO)cc1F ZINC000095585835 KJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(C(F)(F)F)c(F)cc1-c1ccnnc1 ZINC000095585843 KJ Annotated Mild Cn1nccc1-c1ccc(C#N)cc1Oc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1F ZINC000095585882 KJ Annotated Mild O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2OCc2ccccc2[N+](=O)[O-])CC1 ZINC000095585884 KJ Annotated Bother CCc1ccc(/C=C/C(=O)NC[C@H]2c3cc(OC)c(OC)cc3C[C@H]3[C@H]4c5cc(OC)c(OC)cc5C[C@@H]([C@H](C#N)N32)N4C)cc1 ZINC000095586142 KJ Annotated Mild CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@]2(C(=O)Nc3ccccc32)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095586380 KJ Annotated Mild CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)c1cccc3cccc2c13 ZINC000095586381 KJ Annotated Mild O=C(CN1CCN(Cc2cccc(F)c2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095586528 KJ Annotated Anodyne COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn12 ZINC000095586782 KJ Annotated Anodyne COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn12 ZINC000095586783 KJ Annotated Anodyne O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095587185 KJ Annotated Anodyne O=C(C[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)[C@]2(C[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)C1 ZINC000095587441 KJ Annotated Mild O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1ccc2c(c1)CCc1nnc(-c3ccccc3Cl)n1-2 ZINC000095587648 KJ Annotated Anodyne CCCCN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@]21C(=O)Nc2ccccc21 ZINC000095587706 KJ Annotated Mild Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OCC(=O)N(C)C)cc2)c(=O)n1C ZINC000095587741 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(F)ccc32)cc1 ZINC000095588017 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(F)ccc32)cc1 ZINC000095588018 KJ Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000095588121 KJ Annotated Anodyne CCN(CC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cc(O)c(CC=C(C)C)c4O[C@]123 ZINC000095588336 KJ Annotated Mild CO[C@H]1C=C2[C@@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@H]12 ZINC000095588688 KJ Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN4CCCCC4)[C@@H](C=C4C(=O)c5c(O)cc6c(c5O[C@]431)C=CC(C)(C)O6)C2=O ZINC000095588731 KJ Annotated Mild Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OCCN3CCOCC3)cc2)c(=O)n1C ZINC000095588968 KJ Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN4CCCCC4)[C@@H](C=C4C(=O)c5c(cc6c(c5O)C=CC(C)(C)O6)O[C@]431)C2=O ZINC000095588980 KJ Annotated Mild CCOCC(=O)O[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](OC(=O)COCC)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)O)[C@@]4(C)CC(=O)[C@]32C)C(C)(C)[C@@H]1OC(=O)COCC ZINC000095589868 KJ Annotated Anodyne C=CCCCCCC(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)C)C(C)C)C(C)C)C(C)C ZINC000095590085 KJ Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc(Cl)cc4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095590547 KJ Annotated Mild COc1ccc([C@H]2[C@H](c3ccc(NC(=O)[C@@H](N)C(C)C)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000095590675 KJ Annotated Anodyne COc1ccc2c(c1)cc(CN1C(=O)[C@]3(NC(=O)c4ccccc4N3)c3ccccc31)n2S(=O)(=O)c1ccc(C)cc1 ZINC000095590890 KJ Annotated Anodyne COc1ccc2c(c1)cc(CN1C(=O)[C@@]3(NC(=O)c4ccccc4N3)c3ccccc31)n2S(=O)(=O)c1ccc(C)cc1 ZINC000095590891 KJ Annotated Anodyne COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn12 ZINC000095591205 KJ Annotated Anodyne COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn12 ZINC000095591206 KJ Annotated Anodyne CCN(CC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(cc5c(c4O)C=CC(C)(C)O5)O[C@]123 ZINC000095591234 KJ Annotated Mild CCN(CC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(cc(O)c(CC=C(C)C)c4O)O[C@]123 ZINC000095591323 KJ Annotated Mild Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3ccccc32)cc1 ZINC000095591342 KJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3ccccc32)cc1 ZINC000095591343 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3O[C@H](OC(C)=O)[C@@](C)(OC(C)=O)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000095591357 KJ Annotated Mild COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)C(C)C ZINC000095591361 KJ Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)Nc1cc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)ccc1OC ZINC000095591411 KJ Annotated Anodyne CCCC[C@@H](CC)COC(=O)/C=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C ZINC000095591854 KJ Annotated Mild CCCC[C@H](CC)COC(=O)/C=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C ZINC000095591855 KJ Annotated Mild O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F ZINC000095592291 KJ Annotated Anodyne CCCCCCN1CCN(CC(=O)Nc2ccc3c(c2)CCc2nnc(-c4cccc(Cl)c4)n2-3)CC1 ZINC000095592376 KJ Annotated Anodyne CCN(CC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cc5c(c4O[C@]123)C=CC(C)(C)O5 ZINC000095592379 KJ Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccnc5ccccc45)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095592954 KJ Annotated Mild O=C(NCCCCCCCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000095593036 KJ Annotated Anodyne CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@]1(C)C(=O)NCCCCCC(=O)O ZINC000095593055 KJ Annotated Bother O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OC[C@@H](O)CO)cc2C3=O)ccc1F)c1ccccc1 ZINC000095593079 KJ Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095593155 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)C[C@]5(CC)C=CCN6CCC[C@]43[C@@H]65)C2)C1 ZINC000095593285 KJ Annotated Anodyne NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCOCC2)C1 ZINC000095593960 KJ Annotated Mild CCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095594441 KJ Annotated Anodyne Cc1ncn(-c2ccc(Oc3ncnc(N4C5CC6CC4CC(C5)N6C(=O)OC(C)(C)C)c3C)cc2)n1 ZINC000095594897 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)C[C@]5(CC)CCCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095594958 KJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(O)c(OC)c2OC)C[C@H](C)[C@]1(C)O ZINC000095595244 KJ Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)C[C@]5(CC)C=CCN6CCC[C@]43[C@H]65)C2)C1 ZINC000095595549 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccc3c(c2)NC(=O)[C@@H](c2ccccc2)N=C3c2ccccc2)CC1 ZINC000095595704 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccc3c(c2)NC(=O)[C@@H](c2ccccc2)N=C3c2ccccc2)CC1 ZINC000095595705 KJ Annotated Anodyne NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(Cl)c(C(=O)NC[C@@H]5CCCNC5)c4)c3)nn2CCCN2CCSCC2)C1 ZINC000095596310 KJ Annotated Mild NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(Cl)c(C(=O)NC[C@H]5CCCNC5)c4)c3)nn2CCCN2CCSCC2)C1 ZINC000095596311 KJ Annotated Mild O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000095596446 KJ Annotated Anodyne CC[C@]1(N(C)C)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095596607 KJ Annotated Anodyne Cc1c(CCOCc2cn(CCc3sc[n+](Cc4ccccc4)c3C)nn2)sc[n+]1Cc1ccccc1 ZINC000095596942 KJ Annotated Anodyne Cc1cc(OCc2cnnn2-c2cccc(I)c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095597754 KJ Annotated Anodyne NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(Cl)c(C(=O)NC[C@@H]5CCCN5)c4)c3)nn2CCCN2CCSCC2)C1 ZINC000095598003 KJ Annotated Mild CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Oc3cc(C)ccc3C(C)C)cc1C2=O ZINC000095598028 KJ Annotated Clean O=C(NCN1CCC2(CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)Oc2ccccc21)c1ccco1 ZINC000095598068 KJ Annotated Anodyne O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OC[C@H](O)CO)cc2C3=O)ccc1F)c1cccs1 ZINC000095598277 KJ Annotated Anodyne COc1ccc(N2C[C@H](C)N[C@H](C)C2)nc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1Cl ZINC000095598532 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000095598844 KJ Annotated Anodyne C[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095598890 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095598912 KJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000095598939 KJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000095598940 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)Cc1cccc(F)c1 ZINC000095598989 KJ Annotated Anodyne C[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095598992 KJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095599033 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095599067 KJ Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095599087 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095599140 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)Nc1ccccc1F ZINC000095599230 KJ Annotated Anodyne CC(C)C[C@@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2CCC2CCCCC2)C(=O)C(=O)N1CCC1CCCCC1 ZINC000095599256 KJ Annotated Anodyne COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095599275 KJ Annotated Anodyne C#CCN(C[C@@H]1[C@@H](OC(=O)NCC2CCCCC2)[C@@H](OC(=O)NCC2CCCCC2)Cn2c(=O)n(CCCCCC)c(=O)n21)S(=O)(=O)c1ccc(C)cc1 ZINC000095599277 KJ Annotated Mild CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095599299 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095599345 KJ Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000095599359 KJ Annotated Anodyne COc1ccc2cc([C@H]3CC=C(COC(C)=O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])n(C(=O)OC(C)(C)C)c2c1 ZINC000095599387 KJ Annotated Bother COc1ccc2cc([C@@H]3CC=C(COC(C)=O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])n(C(=O)OC(C)(C)C)c2c1 ZINC000095599388 KJ Annotated Bother COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095599519 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000095599534 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)NC1CCCCC1 ZINC000095599591 KJ Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095599598 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095599640 KJ Annotated Anodyne COc1cccc(S(=O)(=O)N2CCC3(CC2)CN(C(=O)Nc2cccc(F)c2)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095599709 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@H]2CO3)no1 ZINC000095599720 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@@H]2CO3)no1 ZINC000095599766 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000095599796 KJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095599817 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095599835 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095599882 KJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095599883 KJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095599884 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095599918 KJ Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000095599947 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095599969 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095600038 KJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095600189 KJ Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095600285 KJ Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095600286 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095600331 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095600373 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095600402 KJ Annotated Anodyne COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(C(=O)C[C@H]3NC(=O)c5ccccc53)C4)cc(C)c2c1 ZINC000095600478 KJ Annotated Anodyne COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(C(=O)C[C@@H]3NC(=O)c5ccccc53)C4)cc(C)c2c1 ZINC000095600479 KJ Annotated Anodyne C[C@@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@H](N(C)C)C3)ccc2S1(=O)=O ZINC000095600488 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccs3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095600489 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095600685 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@H]2CO3)no1 ZINC000095600854 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2F)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095600864 KJ Annotated Anodyne C#CCN(C[C@@H]1[C@@H](OC(=O)NCCCCCC)[C@@H](OC(=O)NCCCCCC)Cn2c(=O)n(CCCCCC)c(=O)n21)S(=O)(=O)c1ccc(C)cc1 ZINC000095600873 KJ Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000095600884 KJ Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095600934 KJ Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095600935 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000095600943 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095601327 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)Cc2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095601365 KJ Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095601675 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2NC(=O)c2cc3ccccc3oc2=N)CC1 ZINC000095601796 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095601952 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000095601993 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3cccc(F)c3)CC[C@H]21 ZINC000095602289 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095602317 KJ Annotated Anodyne CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)oc1-c1ccccc1 ZINC000095602351 KJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095602353 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095602377 KJ Annotated Anodyne CC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc(F)ccc1F ZINC000095602462 KJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095602683 KJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095602684 KJ Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 ZINC000095602693 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@H]2CO3)no1 ZINC000095602698 KJ Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095602752 KJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(I)c(=O)[nH]2)=N1 ZINC000095602847 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@H]2CO3)no1 ZINC000095603104 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000095603716 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095604261 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO ZINC000095604320 KJ Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO ZINC000095604321 KJ Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095604534 KJ Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095604608 KJ Annotated Anodyne O=C(Nc1ccc(Nc2ncnc3[nH]cnc23)c(F)c1)c1cccn(-c2cccc(C(F)(F)F)c2)c1=O ZINC000095604747 KJ Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095604806 KJ Annotated Anodyne O=C(c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@H](CCO)N(C(=O)c1ccc3c(c1)OCO3)C2)N1CCOCC1 ZINC000095604829 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000095604845 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCC(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095604875 KJ Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCC2CCCC2)[C@@H](C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2ccco2)C(=O)N1CC3 ZINC000095605186 KJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095605393 KJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095605394 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095605410 KJ Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCCC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095605412 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095605469 KJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095605753 KJ Annotated Anodyne C[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095605759 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000095606518 KJ Annotated Anodyne COc1ccc2[nH]c3c(C(=O)NCCN(C)CCNC(=O)c4ccc5c6c4nc4ccc(OC)cc4c6[nH]n5CCN(C)C)ccc4c3c(nn4CCN(C)C)c2c1 ZINC000095606650 KJ Annotated Bother CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)/C=C/c3ccc(C(=O)c4ccccc4)cc3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OCc4ccccc4)[C@@H]12)C3(C)C ZINC000095606696 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)Cn1ccc2ccccc21)C[C@H]1OC[C@]13OC(C)=O ZINC000095606701 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000095606725 KJ Annotated Anodyne CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)CCCCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000095606750 KJ Annotated Anodyne CCC[C@@H](NC(=O)[C@@H]1Cc2cccc(c2)CCCCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000095606751 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCc2cnc3ccccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000095606814 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCc2cnc3ccccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000095606815 KJ Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCOc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000095606816 KJ Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCCCOc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000095606817 KJ Annotated Mild Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCCNC(=N)N)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095606991 KJ Annotated Mild CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O ZINC000095607391 KJ Annotated Bother CC[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000095607711 KJ Annotated Anodyne C=CCOC(=O)[C@@H](C)[C@H](OC)[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](CC)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C ZINC000095607806 KJ Annotated Mild COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCOc5cc6c(cc5OC)C(=O)N5CCC[C@H]5C=N6)cn4C)cn3C)cn2C)cn1C ZINC000095607892 KJ Annotated Anodyne C=CC/C=C\C=C/[C@H]1O[C@H]2C[C@H]3O[C@H]4CC[C@H]5O[C@H]6C[C@@]7(C)O[C@@]8(C)[C@@H](O)C[C@H](CCCO)O[C@@H]8C[C@@H]7O[C@@H]6C[C@@H]5O[C@]4(C)C[C@]3(C)O[C@@H]2C=C[C@]1(C)O ZINC000095608010 KJ Annotated Mild CN(C)CCCC(=O)Nc1csc(C(=O)Nc2ccc3c(c2)cc2c(=O)n4c(cc5cc(NC(=O)c6csc(NC(=O)CCCN(C)C)n6)ccc54)c(=O)n23)n1 ZINC000095608053 KJ Annotated Bother CN(C)CCCNc1ccc(NCCCN(C)CCCNc2ccc(NCCCN(C)C)c3c2C(=O)c2cnccc2C3=O)c2c1C(=O)c1ccncc1C2=O ZINC000095608079 KJ Annotated Clean CN(C)CCCNc1ccc(NCCCN(C)CCCNc2ccc(NCCCN(C)C)c3c2C(=O)c2ccncc2C3=O)c2c1C(=O)c1cnccc1C2=O ZINC000095608142 KJ Annotated Clean CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)O)CC(C)C)CC(C)C)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000095608157 KJ Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)O)CC(C)C)CC(C)C)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000095608158 KJ Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CCc3ccc4ccccc4c3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095608341 KJ Annotated Anodyne CC1(C)CN1P(=O)(NC(=O)OCC/N=C1/C(O)=C(Cl)/C(=N\CCOC(=O)NP(=O)(N2CC2(C)C)N2CC2(C)C)C(O)=C1Cl)N1CC1(C)C ZINC000095608484 KJ Annotated Reactive COc1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)n(C)n1 ZINC000095608637 KJ Annotated Mild O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@H](CC1=NCNC1)NC(=O)[C@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000095608868 KJ Annotated Anodyne O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@H](CC1=NCNC1)NC(=O)[C@@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000095608869 KJ Annotated Anodyne O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@@H](CC1=NCNC1)NC(=O)[C@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000095608870 KJ Annotated Anodyne O=C(N[C@H](CC1=NCNC1)C(=O)NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000095608871 KJ Annotated Anodyne C=CCC(CC=C)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(=O)[C@@H]1CCCCN1C(=O)C(=O)[C@]1(O)O[C@H]([C@H](/C=C\C)OC)CC[C@H]1C)[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000095608925 KJ Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H]([C@H](C)O)[C@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000095609719 KJ Annotated Anodyne CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](/N=C(\O)C(F)(F)C(F)(F)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095609768 KJ Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000095610467 KJ Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000095610468 KJ Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)[C@H](NC(=O)OCc2ccccc2)C2(N/C(N)=N/[N+](=O)[O-])CCC2)c1=O ZINC000095611898 KJ Annotated Mild CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)[C@@H](NC(=O)OCc2ccccc2)C2(N/C(N)=N/[N+](=O)[O-])CCC2)c1=O ZINC000095611899 KJ Annotated Mild C=C1[C@H](OCC(C)C)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]2[C@H]1OC(C)=O ZINC000095612387 KJ Annotated Mild C=C1[C@H](OCC(C)C)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000095612388 KJ Annotated Mild COC(=O)CN1CCOCCOCCOCCOc2cc(NC(=O)c3ccc(-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)c(C(=O)O)c3)ccc21 ZINC000095612407 KJ Annotated Bother CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)/C=C/CCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000095612529 KJ Annotated Anodyne CCC[C@@H](NC(=O)[C@@H]1Cc2cccc(c2)/C=C/CCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000095612530 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)c1ccnc2ccccc12)C[C@H]1OC[C@]13OC(C)=O ZINC000095612597 KJ Annotated Anodyne Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCN)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095612749 KJ Annotated Mild COc1c(N2CCN(CN3C(=O)/C(=N\c4ccc(S(=O)(=O)Nc5ncccn5)cc4)c4cc(F)ccc43)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000095612775 KJ Annotated Mild COc1c(N2CCN(CN3C(=O)/C(=N\c4ccc(S(=O)(=O)Nc5ncccn5)cc4)c4cc(F)ccc43)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000095612776 KJ Annotated Mild COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(OC)c(C)c(OC)c(O)c4[C@H](CNC(=O)c4cc5cc(OC6CCOCC6)ccc5o4)N3[C@@H](O)[C@H](C2)N1C ZINC000095612811 KJ Annotated Clean CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095612874 KJ Annotated Anodyne C=CC/C=C\C=C/[C@H]1O[C@H]2C[C@H]3O[C@H]4CC[C@H]5O[C@H]6C[C@@]7(C)O[C@@]8(C)[C@@H](O)C[C@H](CCCO)O[C@@H]8C[C@@H]7O[C@@H]6C[C@@H]5O[C@]4(C)C[C@]3(C)O[C@@H]2C=C[C@@H]1O ZINC000095613259 KJ Annotated Mild CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)[C@H](OC(=O)C[C@H](O)C1=C(C)C(=O)OC1=O)C(C)C ZINC000095613342 KJ Annotated Reactive CCC[C@H](NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000095614613 KJ Annotated Anodyne CCC[C@@H](NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000095614614 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)c1cnc2ccccc2c1)C[C@H]1OC[C@]13OC(C)=O ZINC000095614716 KJ Annotated Anodyne C#C[C@H](O)/C=C/[C@H](O)C/C=C/C[C@H](O)C#C[C@H](O)C#C[C@H](O)CCC/C=C\CCCCCCCC[C@H](O)C(=O)CCCCCCCCC[C@H](O)C[C@H](O)C#CC(=O)O ZINC000095614908 KJ Annotated Anodyne COCC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(=O)COC)[C@@H](OC(=O)COC)C(C)(C)OC(=O)COC)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095615028 KJ Annotated Anodyne CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CCC(=O)N[C@@H](CC[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C[C@@](CCC=O)(C1)C[C@](CCC=O)(C3)C2 ZINC000095615077 KJ Annotated Mild C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](C)[C@@H]2C[C@H](O)[C@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C ZINC000095615171 KJ Annotated Anodyne CC[C@@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc5c(cc14)[C@H]1[C@@H](O5)[C@H](O)[C@]4(CC)CC(C(=O)OC)=C5Nc6c(cc(O)c(OC)c6OC)[C@@]56CCN1[C@@H]64)[C@H]32 ZINC000095615238 KJ Annotated Anodyne O=C(Nc1ccc2c(O)cc(S(=O)(=O)Nc3cccc(-n4cnnn4)c3)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)Nc3cccc(-n4cnnn4)c3)cc2c1 ZINC000095615244 KJ Annotated Anodyne CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C(=O)O)C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)/C=C/c1ccccc1)C(C)C ZINC000095615249 KJ Annotated Anodyne COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCc1c(Br)cc(OCCCN(C)C)cc1Br)=NO2 ZINC000095615267 KJ Annotated Anodyne CO[C@@]1(c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@]1(O)OC ZINC000095615575 KJ Annotated Anodyne CO[C@@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000095615576 KJ Annotated Anodyne CC(=O)Nn1c(Cc2c(NCCC(=O)O)sc3c2CCCC3)nnc1SCSc1nnc(Cc2c(NCCC(=O)O)sc3c2CCCC3)n1NC(C)=O ZINC000095615637 KJ Annotated Anodyne CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C ZINC000095615663 KJ Annotated Reactive in-vivo C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000095615754 KJ Annotated Anodyne in-vitro CN[C@@H](Cc1ccc(Oc2cc3cc(c2O)-c2cccc4c(c[nH]c24)C[C@@H](N)C(=O)N[C@H](c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@H]3C(=O)O)cc1)C(=O)O ZINC000095615770 KJ Annotated Anodyne CCC[C@H](O)[C@@]1(CC)C[C@@H](C)[C@](O)([C@]2(C)C[C@H](C)[C@@H]([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@H]3O[C@@](O)([C@H](CC)C(=O)O)[C@@H](C)[C@H](O)[C@H]3CC)O2)O1 ZINC000095615792 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(N)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000095615819 KJ Annotated Anodyne CC[C@@H]1C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095615901 KJ Annotated Anodyne CC[C@@]12C[N+]3([O-])Cc4c([nH]c5ccccc45)[C@@](OC(C)=O)(c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C[C@@H]1O2)C3 ZINC000095616024 KJ Annotated Bother C=CCN(Cc1ccccc1C(=O)NCC1CCCCC1)Cc1ccc2c(c1C(=O)O)OC[C@H](CCC(=O)O)O2 ZINC000095616069 KJ Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@H](N[C@H]2C3=C[C@@H](OC3=O)[C@@H](C(=C)C)c3cc(C(=O)OC)c(o3)C[C@H](C(=C)C)[C@H]2O)[C@@H]1O ZINC000095617210 KJ Annotated Mild COc1c2c(c(OC(C)=O)c3c1C(=O)c1c(cc(OC(C)=O)c(C)c1OC(C)=O)C3=O)-c1c(cc3cnn(-c4ccccc4)c(=O)c3c1OC(C)=O)CC2 ZINC000095617218 KJ Annotated Clean CO[C@H]1O[C@H](COCc2cn(CCCOc3ccc(O)c(C(=O)O)c3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000095617310 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)C)N[C@@H](C(F)(F)F)CCCCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095617367 KJ Annotated Mild O=C(Nc1cccnc1)c1ccc(-c2csc(NC(=O)[C@@H]3COC4(CCOCC4)N3C(=O)OCc3ccccc3)n2)cc1 ZINC000095627817 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2[C@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C1(C)C ZINC000095627985 KJ Annotated Anodyne in-vitro CC(=O)O[C@H]1C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C1(C)C ZINC000095627986 KJ Annotated Anodyne in-vitro CC(=O)O[C@H]1C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2[C@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C1(C)C ZINC000095627987 KJ Annotated Anodyne in-vitro CC(=O)O[C@H]1C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C1(C)C ZINC000095627988 KJ Annotated Anodyne in-vitro C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4ccc(c(Cl)c4)O[C@@H]4c5ccc3cc5C3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@H](N(C)C)[C@H](O)[C@@H]3O)c2NC1=O ZINC000095629604 KJ Annotated Anodyne in-vitro C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4ccc(c(Cl)c4)O[C@@H]4c5ccc3cc5C3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@H](O)[C@@H]3O)c2NC1=O ZINC000095629605 KJ Annotated Anodyne in-vitro C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4ccc(c(Cl)c4)O[C@@H]4c5ccc3cc5C3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@H](N(C)C)[C@@H](O)[C@@H]3O)c2NC1=O ZINC000095629606 KJ Annotated Anodyne in-vitro C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4ccc(c(Cl)c4)O[C@@H]4c5ccc3cc5C3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@@H]3O)c2NC1=O ZINC000095629607 KJ Annotated Anodyne in-vitro CCN(CC)C1CCN(Cc2cc(C#CCNc3ccccc3)cc(I)c2O)CC1 ZINC000095631304 KJ Annotated Mild C/C=C/c1cccc(-c2nc(C(=O)NCCN3CCCCC3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095661141 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000095661259 KJ Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095661508 KJ Annotated Anodyne C[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095661521 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095661758 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2OC[C@H](C)NC[C@H]1C ZINC000095661815 KJ Annotated Anodyne CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095661860 KJ Annotated Anodyne O=C(NCCN1CCCC1)c1cc2c(c(-c3cccc(C4=CCCC4)c3)n1)[C@@H](CCO)N(CC1CC1)C2 ZINC000095661928 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000095661959 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(CC2CCOCC2)CC1 ZINC000095662124 KJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCCN3CCCCC3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095662171 KJ Annotated Anodyne COc1cccc(CN2CC3(CCN(C(=O)Nc4c(C)noc4C)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095662228 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095662489 KJ Annotated Anodyne C[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095662757 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095663058 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095663467 KJ Annotated Anodyne COc1ccc(CN2CC3(CCN(Cc4ccccn4)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc1 ZINC000095663605 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095663908 KJ Annotated Anodyne Cc1ccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)c5ccc(F)cc5)cc4C(=O)N3C)O2)cc1 ZINC000095664195 KJ Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095664297 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2OC[C@H](C)NC[C@H]1C ZINC000095664375 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095664507 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095664515 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095664538 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095664557 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095664616 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2nccs2)CC1 ZINC000095664632 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095664731 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095664812 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095664834 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095664857 KJ Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095664873 KJ Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095664956 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095665055 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095665062 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095665065 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095665067 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095665072 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO ZINC000095665085 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000095665087 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC[C@H](C)NC[C@H]1C ZINC000095665249 KJ Annotated Anodyne CC(C)N1C[C@@H](CN(C)CCc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665567 KJ Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(cccc2-c2nnn(-c3ccncc3)n2)C1=O ZINC000095665591 KJ Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cc(F)cc2C1=O ZINC000095665599 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095665808 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095665868 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095665870 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095665872 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095665874 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(Br)c3)c2[C@@H]1CCO ZINC000095665895 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095665913 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095665915 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2ccc(F)cc2)C1 ZINC000095666188 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2ccc(F)cc2)C1 ZINC000095666234 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CCN(CC2CCCC2)CC1 ZINC000095666299 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CCN(Cc2ccccn2)CC1 ZINC000095666338 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CCN(Cc2ccccn2)CC1 ZINC000095666340 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CCN(CC2CCCC2)CC1 ZINC000095666363 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000095666370 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000095666372 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)C2CCCCC2)CC1 ZINC000095666481 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)C2CCCCC2)CC1 ZINC000095666483 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(Br)c3)c2[C@H]1CCO ZINC000095666512 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000095666531 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000095666534 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095666537 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095666580 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095666582 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095668812 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Oc2ccccc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095678504 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095678505 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095678506 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095678507 KJ Annotated Anodyne C[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095678730 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)[C@H](C)c2ccccc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095678731 KJ Annotated Anodyne C[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095678732 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)[C@H](C)c1ccccc1 ZINC000095678733 KJ Annotated Anodyne C[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095678734 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@H](C)c1ccccc1 ZINC000095678735 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@H](C)c1ccccc1 ZINC000095678736 KJ Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095678826 KJ Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095678827 KJ Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095678828 KJ Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095678829 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000095679014 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000095679015 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000095679016 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000095679017 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O ZINC000095679018 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O ZINC000095679020 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000095679022 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000095679024 KJ Annotated Anodyne CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679079 KJ Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679080 KJ Annotated Anodyne CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679081 KJ Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095679082 KJ Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095679083 KJ Annotated Anodyne CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095679084 KJ Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095679086 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679112 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679113 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679115 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679116 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679117 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679118 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679119 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679120 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679251 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679252 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679253 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679254 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679258 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679260 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679261 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679262 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679263 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679264 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679266 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095679267 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095679269 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679303 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679305 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679306 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679308 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679310 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679312 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679314 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679316 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679928 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679930 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679932 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679934 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679937 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679938 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679940 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679941 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095680006 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095680007 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095680008 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095680009 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095680045 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095680047 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095680048 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095680049 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095680050 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095680157 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095680158 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095680159 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095680160 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095680162 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095680163 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095680165 KJ Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc2ccccc2F)[C@@H](C)CO3)c1 ZINC000095680218 KJ Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc2ccccc2F)[C@H](C)CO3)c1 ZINC000095680219 KJ Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc2ccccc2F)[C@@H](C)CO3)c1 ZINC000095680221 KJ Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc2ccccc2F)[C@H](C)CO3)c1 ZINC000095680223 KJ Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc2ccccc2F)[C@H](C)CO3)c1 ZINC000095680224 KJ Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc2ccccc2F)[C@@H](C)CO3)c1 ZINC000095680226 KJ Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc2ccccc2F)[C@H](C)CO3)c1 ZINC000095680227 KJ Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cc(-c3ccccc3)on1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680262 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095680274 KJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cc(F)ccc1F)[C@H](C)CO2 ZINC000095680474 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095680495 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095680496 KJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095680509 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@@H](C)N(S(=O)(=O)CC(F)(F)F)C[C@H]1C ZINC000095680511 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095680603 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095680604 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095680605 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095680606 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095680607 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095680608 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095680609 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095680610 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095680623 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680680 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680682 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680684 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680686 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680687 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680689 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680690 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095680745 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095680746 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095680747 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095680749 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095680751 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095680753 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095680846 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095680847 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095680848 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095680849 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095680850 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095680851 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095680852 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H]1C ZINC000095681028 KJ Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H]1C ZINC000095681029 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H]1C ZINC000095681030 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H]1C ZINC000095681031 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H]1C ZINC000095681032 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H]1C ZINC000095681034 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095681059 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095681060 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095681061 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095681062 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095681063 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095681064 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095681065 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095681066 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095686799 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095686975 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095686976 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095686977 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095686978 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095686979 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095686980 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095686981 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095686982 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)OC[C@@H](C)N(CC2CC2)C[C@@H](C)[C@H](OC)CN(C)C3=O)c1 ZINC000095686991 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(OC)c3)ccc2OC[C@@H]1C ZINC000095687022 KJ Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(OC)c3)ccc2OC[C@H]1C ZINC000095687023 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(OC)c3)ccc2OC[C@H]1C ZINC000095687024 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(OC)c3)ccc2OC[C@@H]1C ZINC000095687025 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(OC)c3)ccc2OC[C@H]1C ZINC000095687026 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(OC)c3)ccc2OC[C@@H]1C ZINC000095687027 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(OC)c3)ccc2OC[C@H]1C ZINC000095687028 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095687097 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095687098 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095687099 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095687100 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095687101 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H]1C ZINC000095687122 KJ Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H]1C ZINC000095687123 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H]1C ZINC000095687124 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H]1C ZINC000095687125 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H]1C ZINC000095687126 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095687261 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095687262 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095687263 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095687264 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095687265 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095687266 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095687267 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095687268 KJ Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cc(-c3ccccc3)on1)[C@H](C)CO2 ZINC000095687277 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095687726 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095687727 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095687728 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095687729 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095687730 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095687731 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095687732 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095687733 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2OC[C@@H](C)N(C(=O)NC2CCCCC2)C[C@H]1C ZINC000095687858 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095688014 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688015 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688016 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688017 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095688018 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688019 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095688020 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095688021 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095688516 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095688616 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095688617 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095688618 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095688619 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095688620 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095688621 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095688622 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095688799 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095689457 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095689460 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095689462 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095689464 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095689465 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095689468 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095689470 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095689528 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095689530 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095689532 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095689534 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095689536 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095689538 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095689540 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095689542 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095689632 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095689634 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095689636 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095689638 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095689641 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095689643 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095689645 KJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cc(F)ccc1F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689954 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095690394 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690396 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690398 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095690400 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690402 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095690404 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095690406 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095690611 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H]1C ZINC000095690628 KJ Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H]1C ZINC000095690631 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H]1C ZINC000095690633 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H]1C ZINC000095690635 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H]1C ZINC000095690637 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H]1C ZINC000095690639 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095690806 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095690810 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690818 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095690853 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690865 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095690881 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095690885 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690899 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095690939 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095690957 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095690995 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095691013 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095691022 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095691028 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095691063 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095691116 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000095691133 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095691160 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2OC[C@H](C)NC[C@H]1C ZINC000095691174 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095691194 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095691200 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095691212 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095691232 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095691249 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095691287 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095691306 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095691407 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095691459 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095691479 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095691528 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095691539 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095691600 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095691654 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095691661 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095691772 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095691822 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095691920 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095691962 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095692010 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095692067 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095692070 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC2CC2)[C@H](C)CO3)c1 ZINC000095692114 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC2CC2)[C@H](C)CO3)c1 ZINC000095692126 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC2CC2)[C@H](C)CO3)c1 ZINC000095692147 KJ Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@H]1C ZINC000095692153 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC2CC2)[C@@H](C)CO3)c1 ZINC000095692208 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095692282 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095692330 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC2CC2)[C@@H](C)CO3)c1 ZINC000095692362 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC2CC2)[C@H](C)CO3)c1 ZINC000095692365 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC2CC2)[C@@H](C)CO3)c1 ZINC000095692448 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095692624 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095692700 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]1C ZINC000095692720 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095692740 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]1C ZINC000095692748 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]1C ZINC000095692781 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095692832 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]1C ZINC000095692911 KJ Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H]1C ZINC000095692951 KJ Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H]1C ZINC000095692997 KJ Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H]1C ZINC000095693017 KJ Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]1C ZINC000095693027 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]1C ZINC000095693035 KJ Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]1C ZINC000095693045 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095693112 KJ Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H]1C ZINC000095693114 KJ Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H]1C ZINC000095693122 KJ Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]1C ZINC000095693131 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095693187 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095693265 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693286 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095693298 KJ Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H]1C ZINC000095693302 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095693305 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095693322 KJ Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H]1C ZINC000095693330 KJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc2cc(F)ccc2F)[C@H](C)CO3)cc1 ZINC000095693505 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H](C)N(S(=O)(=O)CC(F)(F)F)C[C@H]1C ZINC000095693515 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095693527 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095693547 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095693653 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095693686 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095693737 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095693927 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095693964 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095693973 KJ Annotated Anodyne CN(C)c1ccc2c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1 ZINC000095696917 KJ Annotated Mild CN(C)c1ccc2c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1 ZINC000095696919 KJ Annotated Mild Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)Cc2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095699257 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)Cc2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095699258 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)Cc2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095699259 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)Cc2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095699260 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)CC2CCCC2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095699280 KJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700324 KJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700325 KJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700326 KJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700327 KJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700328 KJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700329 KJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700330 KJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700331 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)Nc1cccc(F)c1 ZINC000095700671 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)Nc1cccc(F)c1 ZINC000095700672 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc(F)c2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095700673 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)Nc1cccc(F)c1 ZINC000095700877 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)Nc1cccc(F)c1 ZINC000095700878 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)Nc1cccc(F)c1 ZINC000095700879 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc(F)c2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095700880 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)Nc1cccc(F)c1 ZINC000095700881 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1 ZINC000095701617 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1 ZINC000095701618 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095701619 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1 ZINC000095701620 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1 ZINC000095701621 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1 ZINC000095701622 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095701623 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1 ZINC000095701624 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000095702098 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(F)c2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095702099 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)Cc1cccc(F)c1 ZINC000095702100 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000095702101 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)Cc1cccc(F)c1 ZINC000095702102 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(F)c2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095702103 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000095702104 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)Nc1ccccc1F ZINC000095703595 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)Nc1ccccc1F ZINC000095703596 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)Nc1ccccc1F ZINC000095703597 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)Nc1ccccc1F ZINC000095703598 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2F)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095703599 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)Nc1ccccc1F ZINC000095703600 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095708746 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095708747 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095708748 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095708749 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095708750 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095708751 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095708752 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095708967 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095708968 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095708969 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O ZINC000095708970 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095708971 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)Cc2ccccc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095711121 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)Cc2ccccc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095711123 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095711125 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)Cc2ccccc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095711128 KJ Annotated Anodyne COc1cccc(NC(=O)N(C)C[C@@H]2Oc3cc(/C=C/c4ccccc4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095729808 KJ Annotated Anodyne COc1cccc(NC(=O)N(C)C[C@H]2Oc3cc(/C=C/c4ccccc4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000095729811 KJ Annotated Anodyne COc1cccc(NC(=O)N(C)C[C@H]2Oc3cc(/C=C/c4ccccc4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000095729815 KJ Annotated Anodyne COc1cccc(NC(=O)N(C)C[C@@H]2Oc3cc(/C=C/c4ccccc4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095729819 KJ Annotated Anodyne COc1cccc(NC(=O)N(C)C[C@H]2Oc3cc(/C=C/c4ccccc4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095729822 KJ Annotated Anodyne COc1cccc(NC(=O)N(C)C[C@@H]2Oc3cc(/C=C/c4ccccc4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000095729825 KJ Annotated Anodyne COc1cccc(NC(=O)N(C)C[C@@H]2Oc3cc(/C=C/c4ccccc4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000095729830 KJ Annotated Anodyne COc1cccc(NC(=O)N(C)C[C@H]2Oc3cc(/C=C/c4ccccc4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095729834 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1F ZINC000095730116 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1F ZINC000095730118 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2F)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095730122 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1F ZINC000095730124 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1F ZINC000095730127 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1F ZINC000095730131 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2F)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095730134 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1F ZINC000095730138 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095730432 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095730589 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095730637 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095730643 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095730773 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095730827 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095730958 KJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095731122 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095734082 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095734155 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095734234 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095734295 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095734420 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095734444 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095734477 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095734520 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095734701 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3cncnc3)ccc2S1(=O)=O ZINC000095734884 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095735283 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)NC1CCCCC1 ZINC000095735349 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095735369 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)NC1CCCCC1 ZINC000095735743 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)NC1CCCCC1 ZINC000095735774 KJ Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1 ZINC000095749813 KJ Annotated Clean Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)Cc2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095771672 KJ Annotated Anodyne COC(=O)[C@@H]1[C@H](C(=O)O)[C@@]2(C(=O)N(C(=O)NCc3ccccc3)c3ccc(C#Cc4ccc(OC)cc4)cc32)[C@@H](c2ccccc2)N1C ZINC000095771741 KJ Annotated Mild COC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C(=O)N(C(=O)NCc3ccccc3)c3ccc(C#Cc4ccc(OC)cc4)cc32)[C@@H](c2ccccc2)N1C ZINC000095771742 KJ Annotated Mild CC(C)[C@H]1N2[C@H](C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@H](C(=O)O)[C@]12C(=O)Nc1ccc(I)cc12 ZINC000095771766 KJ Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2)c2ccccc2C(=O)N(Cc2ccncc2)[C@H]1c1ccc(CO)cc1 ZINC000095771820 KJ Annotated Anodyne COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)O)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1C1CCCCC1)C(=O)OC ZINC000095783393 KJ Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccc(C#CCCO)cc31)[C@H]2c1ccccc1OCCO ZINC000095783850 KJ Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccccc12 ZINC000095784027 KJ Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CCCO)cc12 ZINC000095784048 KJ Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)N(C(=O)OCCOC)c1ccccc12 ZINC000095784101 KJ Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)Nc1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12 ZINC000095784108 KJ Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1 ZINC000095784110 KJ Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1 ZINC000095784122 KJ Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)Nc1ccccc12 ZINC000095784377 KJ Annotated Mild O=C1C[C@@](C(=O)NCC(F)(F)F)(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(CO)cc2I)N1C1CCCCC1 ZINC000095784401 KJ Annotated Bother COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(OCCO)cc1 ZINC000095784424 KJ Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1 ZINC000095784429 KJ Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)N(C(=O)OCCOC)c1ccccc12 ZINC000095784437 KJ Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000095784441 KJ Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CCCO)cc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784449 KJ Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]12 ZINC000095784459 KJ Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)Nc1ccc(C#CCCO)cc12 ZINC000095784474 KJ Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CCCO)cc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784484 KJ Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12 ZINC000095784498 KJ Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccc(C#CCCO)cc31)[C@H]2c1ccc(O)cc1 ZINC000095784515 KJ Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccc(O)cc1 ZINC000095784528 KJ Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000095784561 KJ Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccc(C#CCCO)cc12 ZINC000095784563 KJ Annotated Mild O=C(C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000095784617 KJ Annotated Anodyne O=C1C[C@@](C(=O)NCCN2CCOCC2)(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(CO)cc2I)N1CC12CC3CC(CC(C3)C1)C2 ZINC000095784765 KJ Annotated Bother C[C@]12CC[C@H]3[C@]4(C=C[C@@]5(C=C4C(=O)c4ccc(F)c(F)c4)C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@]2(O)CN1CCC(C(N)=O)CC1 ZINC000095784842 KJ Annotated Mild CC(C)(C)OC(=O)CC[C@]12N=C(c3ccc(OCCCO)cc3)O[C@H]1c1ccccc1CN(CCS(=O)(=O)c1ccccc1)C2=O ZINC000095785281 KJ Annotated Anodyne CC(C)(C)OC(=O)CC[C@@]12N=C(c3ccc(OCCCO)cc3)O[C@@H]1c1ccccc1CN(CCS(=O)(=O)c1ccccc1)C2=O ZINC000095785283 KJ Annotated Anodyne CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3c(c2)OCO3)[C@@H]2OC(=O)[C@H](Cc3ccccc3)C/C=C/C[C@@H](Cc3ccccc3)C(=O)O[C@@H]12 ZINC000095785288 KJ Annotated Anodyne CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]2OC(=O)[C@@H](Cc3ccccc3)C/C=C/C[C@H](Cc3ccccc3)C(=O)O[C@@H]12 ZINC000095785295 KJ Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000095785375 KJ Annotated Anodyne C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000095785396 KJ Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccc(C#CCCO)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000095785404 KJ Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccc(C#CCCO)cc43)[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]12 ZINC000095785415 KJ Annotated Mild CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3c(c2)OCO3)[C@@H]2OC(=O)[C@@H](Cc3ccccc3)C/C=C/C[C@H](Cc3ccccc3)C(=O)O[C@@H]12 ZINC000095785449 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NC3CCCC3)nc(-c3cccc(Br)c3)c2[C@@H]1CCO ZINC000095793535 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095793625 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2nccs2)CC1 ZINC000095793800 KJ Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)Nc1ccc(F)cc1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793827 KJ Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)Nc1ccc(F)cc1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793828 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCOCC1)CC31CCN(C(=O)Nc2ccccc2)CC1 ZINC000095793843 KJ Annotated Anodyne COc1ccc(CN2CC3(CCN(Cc4ccccn4)CC3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc1 ZINC000095793850 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CCN(C(=O)Nc2ccccc2)CC1 ZINC000095793853 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095794723 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095794862 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095795905 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095795929 KJ Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)Nc3cccc(F)c3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095795933 KJ Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)Nc3cccc(F)c3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095795934 KJ Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC2CC2)[C@@H](C)CO3)c1 ZINC000095795945 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095795972 KJ Annotated Anodyne COc1ccc(CN2CC3(C2)CN(C(=O)Nc2ccc(F)cc2)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)cc1 ZINC000095796084 KJ Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H]1C ZINC000095796088 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095796158 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccc(Cl)c1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095796161 KJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3ccncc3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095796264 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095796282 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cc(F)ccc2F)C1 ZINC000095796333 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cc(F)ccc2F)C1 ZINC000095796335 KJ Annotated Anodyne COc1cc(CN2CC3(CCN(C(=O)Nc4c(C)noc4C)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095796379 KJ Annotated Anodyne COc1cc(CN2CC3(CCN(C(=O)Nc4c(C)noc4C)CC3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095796380 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2ccccc2F)C1 ZINC000095796389 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2ccccc2F)C1 ZINC000095796390 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095796536 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095796585 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095796586 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095796587 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095796588 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)NC2CCCC2)CC1 ZINC000095796735 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)NC2CCCC2)CC1 ZINC000095796736 KJ Annotated Anodyne Cc1ccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)C5CCCCC5)cc4C(=O)N3C)O2)cc1 ZINC000095797928 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095797932 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095797967 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095798008 KJ Annotated Anodyne CCOc1cc(OCC)cc(C(=O)N[C@@H](Cc2ccc(-n3cc(COc4ccccc4/C=C(C)/C=C/C(=O)NO)nn3)cc2)C(=O)OC)c1 ZINC000095809255 KJ Annotated Bother CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000095831867 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095853158 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)CC1CC1 ZINC000095854697 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095854983 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095855101 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095856118 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095856234 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)CC1CC1 ZINC000095856785 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095856828 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)CC1CC1 ZINC000095856836 KJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095857148 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095857595 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095857634 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095859295 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095859926 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095860095 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)CC1CC1 ZINC000095860671 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095860727 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095861444 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095861493 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095862611 KJ Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095864718 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000095864864 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095864872 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095864972 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095865048 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NC3CCCC3)nc(-c3cccc(Br)c3)c2[C@H]1CCO ZINC000095865076 KJ Annotated Anodyne COc1ccc(CN2CC3(CCN(C(=O)c4ccccc4)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc1 ZINC000095865183 KJ Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(C4=CCCCC4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095865184 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095865206 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095865340 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095865341 KJ Annotated Anodyne COc1cccc(CN2CC3(C2)CN(C(=O)Nc2ccc(F)cc2)[C@@H](CO)c2c3c3ccc(OC)cc3n2C)c1 ZINC000095865381 KJ Annotated Anodyne COc1cccc(CN2CC3(C2)CN(C(=O)Nc2ccc(F)cc2)[C@H](CO)c2c3c3ccc(OC)cc3n2C)c1 ZINC000095865382 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccn1)CC31CCN(CC2CCCCC2)CC1 ZINC000095865435 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095865436 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095865437 KJ Annotated Anodyne COc1cccc(S(=O)(=O)N2CCC3(CC2)CN(C(=O)Nc2cccc(F)c2)[C@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095865450 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095865481 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095865483 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095865516 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095865530 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095865531 KJ Annotated Anodyne COc1cc(CN2CC3(CCN(C(=O)Nc4c(C)noc4C)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095865595 KJ Annotated Anodyne COc1cc(CN2CC3(CCN(C(=O)Nc4c(C)noc4C)CC3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095865596 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095865611 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095865612 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095865703 KJ Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865743 KJ Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865744 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095865767 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095865787 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095865789 KJ Annotated Anodyne COc1cc(CN2CC3(CN(C(=O)Nc4cccc(F)c4)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095865791 KJ Annotated Anodyne COc1cc(CN2CC3(CN(C(=O)Nc4cccc(F)c4)C3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095865792 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095865830 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095865831 KJ Annotated Anodyne COc1cccc(S(=O)(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(F)cc2)[C@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095865847 KJ Annotated Anodyne COc1cccc(S(=O)(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(F)cc2)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095865850 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CCN(CC2CCOCC2)CC1 ZINC000095865858 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CCN(CC2CCOCC2)CC1 ZINC000095865860 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CCN(CC2CCOCC2)CC1 ZINC000095865862 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CCN(CC2CCOCC2)CC1 ZINC000095865864 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(Cc2nccs2)CC1 ZINC000095865947 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(Cc2nccs2)CC1 ZINC000095865948 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095865975 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095865976 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095865981 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095865982 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095867149 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095867170 KJ Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(C4=CCCCC4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095867437 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2ccccn2)CC1 ZINC000095867492 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2ccccn2)CC1 ZINC000095867493 KJ Annotated Anodyne COc1cccc(CN2CC3(CCN(Cc4ccccn4)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095867527 KJ Annotated Anodyne COc1cccc(CN2CC3(CCN(Cc4ccccn4)CC3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095867553 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCCCC2)CC1 ZINC000095867649 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCCCC2)CC1 ZINC000095867669 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095867674 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc2c(c1)OCO2)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095867833 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000095867878 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CCN(C(=O)Cc2ccccc2)CC1 ZINC000095867879 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CCN(C(=O)Cc2ccccc2)CC1 ZINC000095867880 KJ Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cc(F)ccc3F)O[C@@H]1CO2 ZINC000095868155 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(C#N)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000095868158 KJ Annotated Mild CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H]1C ZINC000095868332 KJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095868349 KJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095868371 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095868421 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CCN(Cc2ccccn2)CC1 ZINC000095868434 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095868455 KJ Annotated Anodyne COc1cc(CN2CC3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095868456 KJ Annotated Anodyne COc1cc(CN2CC3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095868457 KJ Annotated Anodyne COc1cc(CN2CC3(CCN(S(=O)(=O)c4cccs4)CC3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095868572 KJ Annotated Anodyne COc1cc(CN2CC3(CCN(S(=O)(=O)c4cccs4)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095868573 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Nc2ccccc2)C1 ZINC000095868574 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Nc2ccccc2)C1 ZINC000095868575 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095868604 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095868643 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095868677 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095868678 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095868682 KJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095868701 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000095868766 KJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000095868767 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095868956 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095869028 KJ Annotated Anodyne CC(C)(O)C#Cc1cccc(-c2nc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095869049 KJ Annotated Mild CC(C)(O)C#Cc1cccc(-c2nc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc3c2[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095869050 KJ Annotated Mild CC(C)(O)C#Cc1cccc(-c2nc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095869051 KJ Annotated Mild CC(C)(O)C#Cc1cccc(-c2nc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095869052 KJ Annotated Mild CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095869116 KJ Annotated Anodyne [N-]=[N+]=NCCOCCNC(=O)CCCOc1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)nc1 ZINC000095872110 KJ Annotated Clean CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(cccc2-c2nn[nH]n2)C1=O ZINC000095872127 KJ Annotated Anodyne CC(C)N1CC2(CN(Cc3ccc(-c4cccnc4)cc3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872162 KJ Annotated Anodyne CCCn1ncc(CN(C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N(C(C)C)C[C@@H]2C)c1C ZINC000095872356 KJ Annotated Anodyne CC(C)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(C(N)=O)cccc2C1=O ZINC000095872359 KJ Annotated Anodyne C[C@@H](CO)N1CC[C@H](CNCc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872381 KJ Annotated Anodyne COc1cc(/C=C/C(=O)CC2=N/C(=N/C[C@@H]3CCCO3)S[C@@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000095872474 KJ Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/C[C@@H]3CCCO3)S[C@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000095872475 KJ Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/C[C@H]3CCCO3)S[C@@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000095872476 KJ Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/C[C@H]3CCCO3)S[C@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000095872477 KJ Annotated Mild COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095872528 KJ Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095872529 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(C#CCC5CCCC5)c4)n2)[C@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095872532 KJ Annotated Mild CN1CCN(C(=O)c2cc3c(c(-c4cccc(C#CCC5CCCC5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095872533 KJ Annotated Mild COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095872534 KJ Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095872535 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(C#CCC5CCCC5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095872541 KJ Annotated Mild CN1CCN(C(=O)c2cc3c(c(-c4cccc(C#CCC5CCCC5)c4)n2)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095872542 KJ Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)O)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095872551 KJ Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)O)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095872552 KJ Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)O)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095872555 KJ Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)O)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095872556 KJ Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095872559 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095872560 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccc(F)c5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095872563 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccc(F)c5)c4)n2)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095872564 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccc(F)c5)c4)n2)[C@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095872565 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccc(F)c5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095872566 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO ZINC000095872569 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO ZINC000095872570 KJ Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)N4CCN(C)CC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095872571 KJ Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)N4CCN(C)CC4)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095872572 KJ Annotated Anodyne CC(C)(O)C#Cc1cccc(-c2nc(C(=O)N3CCN(Cc4ccccc4)CC3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095872577 KJ Annotated Mild CC(C)(O)C#Cc1cccc(-c2nc(C(=O)N3CCN(Cc4ccccc4)CC3)cc3c2[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095872578 KJ Annotated Mild COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095872583 KJ Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095872584 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Oc2ccccc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095872591 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095872606 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@H](C)c2ccccc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095872623 KJ Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095872624 KJ Annotated Anodyne C[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095872659 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000095872682 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000095872688 KJ Annotated Anodyne C[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095872689 KJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095872695 KJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)[C@H](C)c1ccccc1 ZINC000095872705 KJ Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095872706 KJ Annotated Anodyne CO[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095872719 KJ Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095872791 KJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O ZINC000095872854 KJ Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095872893 KJ Annotated Anodyne CO[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095872907 KJ Annotated Anodyne CO[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095872922 KJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2)[C@H](CO)N3C)c1 ZINC000095877391 KJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Nc2cccc(F)c2)[C@@H](CO)N3C)c1 ZINC000095878365 KJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Nc2cccc(F)c2)[C@H](CO)N3C)c1 ZINC000095878366 KJ Annotated Anodyne CCC[n+]1cc(-c2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccc(N)cc45)cc3N)cc2)c(N)nc1N ZINC000095882179 KJ Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095886348 KJ Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095886349 KJ Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095886350 KJ Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095886351 KJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095886352 KJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095886353 KJ Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095886354 KJ Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095886355 KJ Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095887726 KJ Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095887727 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887957 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887958 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887959 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887960 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887961 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887962 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887963 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887964 KJ Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)C5CCCCC5)cc4C(=O)N3C)O2)c1 ZINC000095888474 KJ Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@H](COc4ccc(NC(=O)C5CCCCC5)cc4C(=O)N3C)O2)c1 ZINC000095888475 KJ Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@@H]3[C@@H](COc4ccc(NC(=O)C5CCCCC5)cc4C(=O)N3C)O2)c1 ZINC000095888476 KJ Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@H]3[C@H](COc4ccc(NC(=O)C5CCCCC5)cc4C(=O)N3C)O2)c1 ZINC000095888477 KJ Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@@H]3[C@H](COc4ccc(NC(=O)C5CCCCC5)cc4C(=O)N3C)O2)c1 ZINC000095888478 KJ Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@@H]3[C@@H](COc4ccc(NC(=O)C5CCCCC5)cc4C(=O)N3C)O2)c1 ZINC000095888479 KJ Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@@H]3[C@H](COc4ccc(NC(=O)C5CCCCC5)cc4C(=O)N3C)O2)c1 ZINC000095888480 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCCC3)CC[C@H]21 ZINC000095889449 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000095889450 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000095889451 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCCCC3)CC[C@H]21 ZINC000095889452 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCCC3)CC[C@H]21 ZINC000095889453 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCCCC3)CC[C@H]21 ZINC000095889454 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCCc3ccncc3)CC[C@@H]21 ZINC000095892190 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCCc3ccncc3)CC[C@@H]21 ZINC000095892191 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095892192 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095892193 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@@H]21 ZINC000095892194 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@@H]21 ZINC000095892195 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3cccc(F)c3)CC[C@@H]21 ZINC000095892294 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3cccc(F)c3)CC[C@@H]21 ZINC000095892295 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3cccc(F)c3)CC[C@H]21 ZINC000095892296 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3cccc(F)c3)CC[C@H]21 ZINC000095892297 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3cccc(F)c3)CC[C@@H]21 ZINC000095892298 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3cccc(F)c3)CC[C@@H]21 ZINC000095892299 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3cccc(F)c3)CC[C@H]21 ZINC000095892300 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000095892555 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21 ZINC000095892556 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21 ZINC000095892557 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21 ZINC000095892558 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21 ZINC000095892559 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000095892560 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000095892561 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000095892562 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000095892571 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)N[C@H](C)c4ccccc4)O[C@H]2CO3)c1 ZINC000095892588 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)N[C@H](C)c4ccccc4)O[C@@H]2CO3)c1 ZINC000095892589 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)N[C@H](C)c4ccccc4)O[C@@H]2CO3)c1 ZINC000095892590 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)N[C@H](C)c4ccccc4)O[C@H]2CO3)c1 ZINC000095892591 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@H]2CO3)c1 ZINC000095892592 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@H]2CO3)c1 ZINC000095892593 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@@H]2CO3)c1 ZINC000095892594 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@H]2CO3)c1 ZINC000095892595 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@@H]2CO3)c1 ZINC000095892596 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@@H]2CO3)c1 ZINC000095892597 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@H]2CO3)c1 ZINC000095892598 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)N[C@H](C)c4ccccc4)O[C@H]2CO3)c1 ZINC000095892599 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)N[C@H](C)c4ccccc4)O[C@@H]2CO3)c1 ZINC000095892600 KJ Annotated Anodyne COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)N[C@H](C)c4ccccc4)O[C@H]2CO3)c1 ZINC000095892601 KJ Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc4c(c3)CCCC4)O[C@@H]1CO2 ZINC000095892631 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892763 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892764 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H]1CO2 ZINC000095892765 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892766 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892767 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H]1CO2 ZINC000095892768 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H]1CO2 ZINC000095892769 KJ Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H]1CO2 ZINC000095892770 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@@H]2CO3)no1 ZINC000095892780 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@@H]2CO3)no1 ZINC000095892781 KJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@@H]2CO3)no1 ZINC000095892782 KJ Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000095892903 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095892963 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095892965 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095892966 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095892967 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095892968 KJ Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc4c(c3)COC4)O[C@@H]1CO2 ZINC000095892975 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892985 KJ Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892986 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892987 KJ Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892988 KJ Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892989 KJ Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892990 KJ Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892991 KJ Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892992 KJ Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892993 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892994 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892995 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892996 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892997 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892998 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892999 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095893046 KJ Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000095893261 KJ Annotated Anodyne O=C(c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@@H](CCO)N(C(=O)c1ccc3c(c1)OCO3)C2)N1CCOCC1 ZINC000095898341 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@@H]1CCO ZINC000095898778 KJ Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO ZINC000095898779 KJ Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO ZINC000095898797 KJ Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO ZINC000095898798 KJ Annotated Mild COc1cccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095898799 KJ Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095898800 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000095898803 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000095898804 KJ Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCN(C)CC3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898809 KJ Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCN(C)CC3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095898810 KJ Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898816 KJ Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898817 KJ Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCOCC3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898820 KJ Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCOCC3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095898821 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5ccccc5F)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095898830 KJ Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5ccccc5F)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095898831 KJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095898834 KJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3ccncc3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898839 KJ Annotated Anodyne COc1ccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898843 KJ Annotated Anodyne COc1ccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898844 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095898852 KJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3ccccn3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898858 KJ Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095898867 KJ Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095898868 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCOCC3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@@H]1CCO ZINC000095898886 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCOCC3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@H]1CCO ZINC000095898887 KJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000095898888 KJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000095898889 KJ Annotated Anodyne CO[C@@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095898931 KJ Annotated Anodyne CO[C@@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095898932 KJ Annotated Anodyne CO[C@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095898933 KJ Annotated Anodyne CO[C@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095898934 KJ Annotated Anodyne CO[C@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095898935 KJ Annotated Anodyne CO[C@@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095898936 KJ Annotated Anodyne CO[C@@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095898937 KJ Annotated Anodyne CO[C@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095898938 KJ Annotated Anodyne CO[C@@H](CN(C)Cc1ccc(-c2ccccn2)cc1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095898951 KJ Annotated Anodyne CO[C@@H](CN(C)Cc1ccc(-c2ccccn2)cc1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095898952 KJ Annotated Anodyne CO[C@H](CN(C)Cc1ccc(-c2ccccn2)cc1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095898953 KJ Annotated Anodyne CO[C@H](CN(C)Cc1ccc(-c2ccccn2)cc1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095898954 KJ Annotated Anodyne CO[C@H](CN(C)Cc1ccc(-c2ccccn2)cc1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095898955 KJ Annotated Anodyne CO[C@@H](CN(C)Cc1ccc(-c2ccccn2)cc1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095898956 KJ Annotated Anodyne CO[C@H](CN(C)Cc1ccc(-c2ccccn2)cc1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095898957 KJ Annotated Anodyne CO[C@@H](CN(C)Cc1ccc(-c2ccccn2)cc1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095898958 KJ Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000095899201 KJ Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000095899202 KJ Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO ZINC000095899203 KJ Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000095899204 KJ Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO ZINC000095899205 KJ Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000095899206 KJ Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO ZINC000095899207 KJ Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900608 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900609 KJ Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900610 KJ Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900611 KJ Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900612 KJ Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900613 KJ Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900614 KJ Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900904 KJ Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900905 KJ Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900906 KJ Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900907 KJ Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900908 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900909 KJ Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095900910 KJ Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095900911 KJ Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095900912 KJ Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095900913 KJ Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095900914 KJ Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@H](CO)[C@H]2O3)cc1 ZINC000095900915 KJ Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095900916 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901242 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901243 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901244 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901245 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901246 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901247 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901248 KJ Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901249 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901400 KJ Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901401 KJ Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901402 KJ Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901403 KJ Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901703 KJ Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901704 KJ Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901705 KJ Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901706 KJ Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901707 KJ Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901708 KJ Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901709 KJ Annotated Anodyne C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000095908916 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc(O)cc3)CC(C)=C[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000095909187 KJ Annotated Anodyne in-vitro biogenic O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@H]2C(=O)c1ccc(O)cc1O ZINC000095909350 KJ Annotated Mild in-vitro biogenic CC[C@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@H]2OC(C)=O ZINC000095909362 KJ Annotated Anodyne in-vitro biogenic COC(=O)[C@@]12C(=O)C3=C([C@@H](C)[C@]1(C)CC[C@H]2C)[C@H](O)CC[C@H]3C1=CC(=O)[C@@]2(C(=O)OC)[C@H](C)CC[C@@]2(C)[C@@H]1C ZINC000095909803 KJ Annotated Mild in-vitro biogenic COC(=O)[C@@]12C(=O)C3=C([C@@H](O)CC[C@H]3C3=CC(=O)[C@@]4(C(=O)OC)[C@H](C)CC[C@@]4(C)[C@@H]3C)[C@@H](C)[C@]1(C)CC[C@H]2C ZINC000095909806 KJ Annotated Mild in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)C(c1c(C)c(-c3c(C)cc4c(c3O)C(=O)C=C(c3c(C)cc5c(c3O)C(=O)[C@H]3O[C@H]3C5=O)C4=O)c3c(c1O)C(=O)[C@H]1O[C@H]1C3=O)=CC2=O ZINC000095909813 KJ Annotated Mild in-vitro biogenic COc1c2c(c3c(c1OC)[C@@]1(OC)C4=C(C(=O)C[C@@]1(OC)O3)[C@H](O)C[C@H](c1ccccc1)O4)[C@H](O)C[C@@H](c1ccccc1)O2 ZINC000095909996 KJ Annotated Mild in-vitro biogenic C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@]23C(=C[C@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000095910028 KJ Annotated Mild in-vitro biogenic CC(=O)OC[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)[C@@H](O)[C@H]2O ZINC000095910174 KJ Annotated Anodyne in-vitro biogenic O=C(c1ccc(O)cc1O)[C@H]1[C@@H]2[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c3[C@@H]2O[C@H]1c1ccc(O)cc1 ZINC000095910179 KJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)C(=O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)/C=C/c1ccccc1 ZINC000095910302 KJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000095910304 KJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C(C(=O)[C@@H]2OC(C)=O)C1(C)C ZINC000095910314 KJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)[C@H](OC(C)=O)[C@H](c2ccccc2)N(C)C)C[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000095910318 KJ Annotated Mild in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@@H](CC(=O)OC)[C@]1(C)C1=C(C)[C@H](c4ccoc4)C[C@@H]1O)[C@@H]23 ZINC000095910332 KJ Annotated Anodyne in-vitro CC(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3C[C@H](O)O[C@H]4C[C@@H](c5ccoc5)C(C)=C4[C@]3(C)[C@H](OC(=O)c3ccccc3)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000095910333 KJ Annotated Anodyne O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)[C@H](c2ccc(O)cc2)[C@H]1C(=O)c1ccc(O)cc1O ZINC000095910718 KJ Annotated Anodyne in-vitro biogenic COc1c2c(c3c(c1OC)[C@@]1(OC)C4=C(C(=O)[C@H](OC)[C@@]1(OC)O3)[C@H](OC)C[C@H](c1ccccc1)O4)[C@H](O)C[C@H](c1ccccc1)O2 ZINC000095911218 KJ Annotated Mild in-vitro biogenic CC[C@@]1([C@H](C)C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O)O[C@@]12C[C@H](O)[C@@H]1[C@](C)(CC[C@H]3C(C)(C)C(=O)CC[C@]13C)[C@@H]2C ZINC000095911280 KJ Annotated Anodyne in-vitro biogenic CC[C@]1([C@H](C)C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O)O[C@@]12C[C@H](O)[C@@H]1[C@](C)(CC[C@H]3C(C)(C)C(=O)CC[C@]13C)[C@@H]2C ZINC000095911281 KJ Annotated Anodyne in-vitro biogenic C=C1C[C@@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@](C)(O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000095911438 KJ Annotated Mild in-vitro biogenic C=C1C[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)C(C)C)[C@@H]2[C@H]1OC(C)=O ZINC000095911443 KJ Annotated Mild in-vitro biogenic CC(C)(O)/C=C/C[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000095911505 KJ Annotated Anodyne C=C(C)[C@@H](O)CC[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000095911506 KJ Annotated Mild CC(C)=CCC[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000095911507 KJ Annotated Anodyne COc1cc(/C=C\C(=O)OC/C(C)=C/Cc2c(O)ccc(C(=O)/C=C\c3ccc(O)cc3O)c2O)ccc1O ZINC000095911595 KJ Annotated Mild in-vitro biogenic COc1cc(/C=C\C(=O)OC/C(C)=C/Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)ccc1O ZINC000095911596 KJ Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)OC/C(C)=C/Cc2c(O)ccc(C(=O)/C=C\c3ccc(O)cc3O)c2O)ccc1O ZINC000095911597 KJ Annotated Mild in-vitro biogenic CC(=O)[C@H]1[C@@H]([C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccccc2)CC3=O)c2ccccc2)O[C@@H]2CC(=O)O[C@H]12 ZINC000095911783 KJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)NCCCCNC(=O)[C@H]1[C@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@@H]2OC(C)=O ZINC000095911787 KJ Annotated Anodyne in-vitro biogenic CC(=O)c1c(O)cc(O)c([C@@H]2C=C(C)C[C@H](c3ccc(O)cc3O)[C@H]2C(=O)c2ccc(O)cc2O)c1O ZINC000095911821 KJ Annotated Anodyne in-vitro biogenic C=C1C[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)[C@@H](C)C/C=C\C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)c1ccccc1 ZINC000095911891 KJ Annotated Mild in-vitro biogenic C=C1C[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(=O)c3ccccc3)C[C@]2(OC(C)=O)C(=O)[C@@H](C)C/C=C\C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000095911892 KJ Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@]1(C)O ZINC000095912566 KJ Annotated Anodyne in-vitro biogenic CC(C)(O)/C=C\C[C@](C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@H]([C@]3(C)CC[C@H]([C@@](C)(O)C/C=C\C(C)(C)OO)O3)O2)O1 ZINC000095913311 KJ Annotated Reactive in-vitro biogenic COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC(C)C)[C@@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000095913463 KJ Annotated Anodyne in-vitro biogenic COC(=O)[C@@]12CC=C3[C@]4(C[C@H]4C[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(CO)[C@H](O)[C@H](O)C[C@@]34C)[C@@H]1CC(C)(C)CC2 ZINC000095913711 KJ Annotated Anodyne in-vitro biogenic COC(=O)[C@@H](C(=O)C(C)C)c1c(OC)ccc2c1O[C@]1(C=C2)O[C@H](Cc2c(OC)ccc3ccc(=O)oc23)C(C)(C)O1 ZINC000095913770 KJ Annotated Anodyne in-vitro biogenic COc1cc(O)c2cc3c(c(-c4c5c(c(O)c6c(O)c(C)c(OC)cc46)C(=O)C[C@@](C)(O)C5)c2c1)C[C@](C)(O)CC3=O ZINC000095913963 KJ Annotated Anodyne in-vitro biogenic O=C(c1ccc(O)cc1)[C@@H]1[C@@H](c2ccc(O)cc2O)O[C@@H](c2ccc(O)cc2)[C@H]1C(=O)c1ccc(O)cc1O ZINC000095913964 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@H](O)[C@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H]([C@@H]3CO[C@H]([C@H](O)c4ccc(O)c(OC)c4)CO[C@@H]3c3cc(OC)c(O)c(OC)c3)CO2)ccc1O ZINC000095914355 KJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H](O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H]([C@@H]3CO[C@@H]([C@H](O)c4ccc(O)c(OC)c4)CO[C@@H]3c3cc(OC)c(O)c(OC)c3)CO2)ccc1O ZINC000095914356 KJ Annotated Anodyne in-vitro biogenic CCCC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)C/C=C(\C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2/C=C/1C ZINC000095914624 KJ Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@@H]2/C=C(\C)[C@H](OC(=O)c3ccccc3)C[C@@H](OC(C)=O)C(C)(C)C/C=C(\C)C(=O)[C@@]2(O)C[C@H]1C ZINC000095914625 KJ Annotated Mild in-vitro biogenic C=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\C(=O)CO[C@H]1O ZINC000095915041 KJ Annotated Mild in-vitro biogenic C=C1CC[C@@H](C/C=C2/CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000095915042 KJ Annotated Mild in-vitro biogenic CO[C@H]1[C@@H]2C(=O)c3c(O)c(CC=C(C)C)c4c(c3O[C@]23[C@@H]2C[C@@]1(OC)C(=O)[C@@]3(C/C=C(/C)C(=O)O)OC2(C)C)C(C)(C)[C@H](C)O4 ZINC000095915108 KJ Annotated Anodyne in-vitro biogenic C/C=C1/CN2[C@H]3C[C@@H]1[C@@H]1C=CC(=O)N4c5ccccc5[C@@]3(C[C@@H]2[C@@H]2C(=O)N3c5ccccc5[C@@]56CCN7CC8=CCO[C@@H]2[C@@H]([C@H]35)[C@H]8C[C@H]76)[C@H]14 ZINC000095918800 KJ Annotated Anodyne C=C1[C@H]2[C@@H](OC(C)=O)[C@@H]3CC(=O)[C@]4(C)O[C@]4([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2(C)CC[C@H]1OC(=O)/C=C\c1ccccc1)C3(C)C ZINC000095918909 KJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@H](OC(C)=O)[C@H]12)C3(C)C ZINC000095918919 KJ Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@]123)C4(C)C ZINC000095918922 KJ Annotated Mild in-vitro biogenic COc1cc(O)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)C(=O)C[C@](C)(O)C5)c2c1)C[C@](C)(O)CC3=O ZINC000095919114 KJ Annotated Anodyne in-vitro biogenic CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000095919133 KJ Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C2[C@H]3[C@@H](C)[C@H](C)CC[C@]3(C(=O)O)CC[C@@]2(C)[C@]2(C)[C@@H](O)C[C@@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@]3(C)[C@@H]12 ZINC000095919175 KJ Annotated Anodyne in-vitro biogenic CC(=O)Oc1cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)c(OC(C)=O)c(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)c1 ZINC000095919215 KJ Annotated Anodyne in-vitro biogenic O=C(CCc1ccccc1)N[C@H]1[C@@H](OC(=O)c2cnccn2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018472 KJ Annotated Anodyne Cn1ccnc1C(=O)O[C@@H]1CCC[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]1NC(=O)CCc1ccccc1 ZINC000096018479 KJ Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OC(=O)c2cnccn2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018482 KJ Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@@H](OC(=O)c2cnccn2)CCC[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018497 KJ Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OC(=O)c2cnccn2)CCC[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018502 KJ Annotated Anodyne COC(=O)[C@]12C=CCN1[C@@H](c1ccc(OC)c(OC)c1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096018522 KJ Annotated Anodyne COC(=O)[C@]12C=CCN1[C@H](c1ccc(OC)c(OC)c1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096018523 KJ Annotated Anodyne CC[C@@H](CO)Nc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccc(Cl)cc3)nn1)Cc1ccccc1O2 ZINC000096019482 KJ Annotated Anodyne CC[C@H](CO)Nc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccc(Cl)cc3)nn1)Cc1ccccc1O2 ZINC000096019484 KJ Annotated Anodyne O=S1(=O)c2c(cccc2N2CCSCC2)Oc2ccccc2CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096019495 KJ Annotated Anodyne O=S1(=O)c2c(cccc2N2CCSCC2)Oc2ccccc2CN1Cc1cn(Cc2cccc(F)c2)nn1 ZINC000096019508 KJ Annotated Anodyne O=S1(=O)c2ccc(N3CCSCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096019539 KJ Annotated Anodyne O=S1(=O)c2ccc(N3CCCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096019541 KJ Annotated Anodyne CN1CCN(c2ccc3c(c2)Oc2ccccc2CN(Cc2cn(Cc4ccc(C(F)(F)F)cc4)nn2)S3(=O)=O)CC1 ZINC000096019550 KJ Annotated Anodyne CN1CCN(c2ccc3c(c2)Oc2ccccc2CN(Cc2cn(Cc4cccc(C(F)(F)F)c4)nn2)S3(=O)=O)CC1 ZINC000096019562 KJ Annotated Anodyne CN1CCN(c2ccc3c(c2)Oc2ccccc2CN(Cc2cn(Cc4ccccc4C(F)(F)F)nn2)S3(=O)=O)CC1 ZINC000096019576 KJ Annotated Anodyne O=S1(=O)c2ccc(N3CCSCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2cccc(F)c2)nn1 ZINC000096019888 KJ Annotated Anodyne O=S1(=O)c2ccc(N3CCCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2cccc(F)c2)nn1 ZINC000096019891 KJ Annotated Anodyne COC(=O)[C@H](CC(C)C)N(CCCc1cn(Cc2ccc(C)cc2)nn1)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019918 KJ Annotated Anodyne COC(=O)[C@H](CC(C)C)N(CCCc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019920 KJ Annotated Anodyne COC(=O)[C@H](CC(C)C)N(CCCc1cn(Cc2ccc(C)cc2)nn1)S(=O)(=O)c1ccccc1Br ZINC000096019927 KJ Annotated Anodyne COC(=O)[C@H](CC(C)C)N(CCCc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccccc1Br ZINC000096019930 KJ Annotated Anodyne COC(=O)[C@H](CC(C)C)N(CCc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019937 KJ Annotated Anodyne COC(=O)[C@H](CC(C)C)N(Cc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019947 KJ Annotated Anodyne CC(C)C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(Br)cc2)nn1 ZINC000096020641 KJ Annotated Anodyne CC(C)C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(Br)cc2)nn1 ZINC000096020642 KJ Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OC[C@H](Cc2ccccc2)N1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020653 KJ Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OC[C@@H](Cc2ccccc2)N1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020654 KJ Annotated Anodyne CC(C)C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020655 KJ Annotated Anodyne CC(C)C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020656 KJ Annotated Anodyne CC(C)C[C@H]1COc2ccc(Cl)cc2S(=O)(=O)N1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096020658 KJ Annotated Anodyne Cc1ccccc1Cn1cc(CN2[C@@H](Cc3ccccc3)COc3cc(Br)ccc3S2(=O)=O)nn1 ZINC000096020668 KJ Annotated Anodyne Cc1ccccc1Cn1cc(CN2[C@H](Cc3ccccc3)COc3cc(Br)ccc3S2(=O)=O)nn1 ZINC000096020669 KJ Annotated Anodyne Cc1ccc(Cn2cc(CN3[C@@H](Cc4ccccc4)COc4cc(Br)ccc4S3(=O)=O)nn2)cc1 ZINC000096020676 KJ Annotated Anodyne Cc1ccc(Cn2cc(CN3[C@H](Cc4ccccc4)COc4cc(Br)ccc4S3(=O)=O)nn2)cc1 ZINC000096020677 KJ Annotated Anodyne Cc1ccc(Cn2cc(CN3[C@H](c4ccccc4)COc4cc(Br)ccc4S3(=O)=O)nn2)cc1 ZINC000096020680 KJ Annotated Anodyne CC(C)C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(CC2CCCCC2)nn1 ZINC000096020705 KJ Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OC[C@@H](Cc2ccccc2)N1Cc1cn(CC2CCCCC2)nn1 ZINC000096020706 KJ Annotated Anodyne C[C@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](N(C)C)C3)ccc2S1(=O)=O ZINC000096020756 KJ Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2Oc2cc(Br)ccc2S1(=O)=O ZINC000096021186 KJ Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(NCc3cc(OC)c(OC)c(OC)c3)cccc2O1 ZINC000096021306 KJ Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(NCc3cc(OC)c(OC)c(OC)c3)cccc2O1 ZINC000096021307 KJ Annotated Anodyne CCCC(=O)OC[C@H]1CN(C2CCCC2)S(=O)(=O)c2c(Oc3ccc(F)cc3OC)cccc2O1 ZINC000096021318 KJ Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(cccc2N(C)S(=O)(=O)c2ccc(C)cc2)O1 ZINC000096021323 KJ Annotated Anodyne COc1ccc(Sc2cccc3c2S(=O)(=O)N(C2CC2)C[C@@H](COCc2ccccc2)O3)cc1OC ZINC000096021353 KJ Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OC(=O)c2cccs2)NC(=O)N1CCCC(=O)O ZINC000096023296 KJ Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OC(=O)c2cccs2)NC(=O)N1CCCC(=O)O ZINC000096023297 KJ Annotated Anodyne CC[C@H]1[C@H](C)C(=O)N[C@@H]1Cc1[nH]c(/C=C2\N=C(C[C@H]3NC(=O)[C@@H](CC)[C@H]3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C ZINC000096061866 KJ Annotated Anodyne in-vitro C[C@@]12CC3=C(CCC(=O)O)[C@](C)(CC(=O)O)C(=N3)/C=C3\N[C@@](C)(C4=C(CC(=O)O)[C@@](C)(CCC(=O)O)C(=N4)CC(=N1)C(CCC(=O)O)=C2CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O ZINC000096077692 KJ Annotated Anodyne in-vitro CC(=O)[C@@]12N/C(=C\C3=NC(=C(CCC(=O)O)[C@]3(C)CC(=O)O)C[C@]3(C)N=C(CC4=NC1=C(CC(=O)O)[C@@]4(C)CCC(=O)O)C(CCC(=O)O)=C3CC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O ZINC000096077694 KJ Annotated Anodyne in-vitro C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(N)=O)[C@@H]4CCC(=O)O)[C@@](C)(CC(N)=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O ZINC000096077698 KJ Annotated Anodyne in-vitro CC(=O)Oc1c(OC(=O)C[C@@H](C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)O)c(OC(=O)C[C@@H](C)OC(C)=O)c1-c1ccc(O)cc1 ZINC000096085397 KJ Annotated Anodyne in-vitro CC(=O)Oc1c(OC(=O)C[C@@H](C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)O)c(OC(=O)C[C@@H](C)OC(C)=O)c1-c1ccc(O)cc1 ZINC000096085398 KJ Annotated Anodyne in-vitro CC(=O)Oc1c(OC(=O)C[C@@H](C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)O)c(OC(=O)C[C@H](C)OC(C)=O)c1-c1ccc(O)cc1 ZINC000096085399 KJ Annotated Anodyne in-vitro CC(=O)Oc1c(OC(=O)C[C@@H](C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)O)c(OC(=O)C[C@H](C)OC(C)=O)c1-c1ccc(O)cc1 ZINC000096085400 KJ Annotated Anodyne in-vitro CO[C@]1(C[C@H]2C(=O)N[C@@H](c3ccc(O)cc3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)Nc2ccccc21 ZINC000096085496 KJ Annotated Anodyne in-vitro CO[C@@]1(C[C@H]2C(=O)N[C@@H](c3ccc(O)cc3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)Nc2ccccc21 ZINC000096085497 KJ Annotated Anodyne in-vitro C=C(CC/C=C/C=C/C[C@H](C)CC(=O)C[C@H](O)CNC(=O)[C@@H](C)[C@@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000096085502 KJ Annotated Mild in-vitro C=C(CC/C=C/C=C/C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)[C@@H](C)[C@@H](C)OC(N)=O)C[C@@H](C)C/C(C)=C/C(=O)O ZINC000096085503 KJ Annotated Mild in-vitro C=C(CC/C=C/C=C/C[C@H](C)CC(=O)C[C@H](O)CNC(=O)[C@@H](C)[C@@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000096085504 KJ Annotated Mild in-vitro C=C(CC/C=C/C=C/C[C@@H](C)CC(=O)C[C@H](O)CNC(=O)[C@@H](C)[C@@H](C)OC(N)=O)C[C@H](C)C/C(C)=C/C(=O)O ZINC000096085505 KJ Annotated Mild in-vitro COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000096085515 KJ Annotated Anodyne in-vitro COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000096085516 KJ Annotated Anodyne in-vitro COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000096085517 KJ Annotated Anodyne in-vitro COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000096085518 KJ Annotated Anodyne in-vitro CC(C)=CCOC(C)(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6ccccc6c5C[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@@H]1O ZINC000096085533 KJ Annotated Anodyne in-vitro CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H]5OC(C)(C)[C@]1(C/C=C(/C)C(=O)O)C[C@H](C5=O)[C@H]1O[C@]14C3=O)C=CC(C)(C)O2 ZINC000096085584 KJ Annotated Anodyne in-vitro CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H]5OC(C)(C)[C@]1(C/C=C(/C)C(=O)O)C[C@H](C5=O)[C@@H]1O[C@@]14C3=O)C=CC(C)(C)O2 ZINC000096085585 KJ Annotated Anodyne in-vitro C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(CO)[C@@H]1CC3)C(C)(C)O ZINC000096085652 KJ Annotated Mild in-vitro CCO[C@@H]1O[C@@H]([C@@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000096085673 KJ Annotated Anodyne CCO[C@H]1O[C@@H]([C@@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000096085674 KJ Annotated Anodyne CO[C@@H]1O[C@@H]([C@@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)C[C@@H](OC(C)=O)[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000096085677 KJ Annotated Anodyne CC(=O)[C@H](C)CC[C@@]1(C(=O)O)C=C2C=C[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000096085881 KJ Annotated Anodyne in-vitro C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000096086282 KJ Annotated Mild C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000096086284 KJ Annotated Mild CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]4CC[C@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@](C)(O)CCCCC/C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 ZINC000096095640 KJ Annotated Anodyne in-vitro CC(C)CCC[C@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142421 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142422 KJ Annotated Bother CC(C)CCC[C@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142423 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142424 KJ Annotated Bother CC(C)CCC[C@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OC(CN(C)C)CN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142425 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OC(CN(C)C)CN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142426 KJ Annotated Anodyne CC(C)CCC[C@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OC(CN(C)C)CN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142427 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OC(CN(C)C)CN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142428 KJ Annotated Anodyne CC(C)CCC[C@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142429 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142430 KJ Annotated Bother CC(C)CCC[C@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142431 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142432 KJ Annotated Bother CC(C)CCC[C@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CCN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142433 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CCN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142434 KJ Annotated Anodyne CC(C)CCC[C@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CCN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142435 KJ Annotated Anodyne CC(C)CCC[C@@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CCN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142436 KJ Annotated Anodyne CC(C)CCC[C@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142437 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142438 KJ Annotated Bother CC(C)CCC[C@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142439 KJ Annotated Bother CC(C)CCC[C@@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000096142440 KJ Annotated Bother CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142975 KJ Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142976 KJ Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142977 KJ Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142978 KJ Annotated Anodyne Cc1ncccc1C(=O)N[C@H](C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000096142979 KJ Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)Cc1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142987 KJ Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccc1O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142991 KJ Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1cccc(O)c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142992 KJ Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142993 KJ Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142994 KJ Annotated Bother COc1cc(C(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)C(c2ccccc2)c2ccccc2)ccc1O ZINC000096142996 KJ Annotated Anodyne COc1cc(C(=O)N[C@H](C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)C(c2ccccc2)c2ccccc2)ccc1O ZINC000096142997 KJ Annotated Anodyne COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000096167353 KJ Annotated Anodyne COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000096167354 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(N4CCOCC4)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167365 KJ Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cn3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167367 KJ Annotated Anodyne N#Cc1sc(C[C@H]2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cn4nc(C(=O)O)cc34)C2)nc1N ZINC000096167601 KJ Annotated Mild N#Cc1sc(C[C@@H]2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cn4nc(C(=O)O)cc34)C2)nc1N ZINC000096167602 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(Cc2ccccc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167622 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(CCc2ccccc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167629 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(C(=O)c2ccccc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167630 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3cccnc23)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167637 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167638 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167639 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167640 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167641 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167642 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167643 KJ Annotated Mild [C-]#[N+]c1ccc(S(=O)(=O)N2C[C@@H](C(=O)C[C@]3(C(=O)NCC4CC4)C[C@H]3C=C)N(C(=O)[C@@H](CC(=O)OC3CCCC3)C(C)(C)C)C2)cc1 ZINC000096167644 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(Cc2ccsc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167647 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167649 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(CNc2ccccc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167650 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(N3CCOCC3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167655 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-n3cccn3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167656 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(OC)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167658 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3cnc(N)nc3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167672 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cc(Cl)nc(C)n2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167678 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cc(C)nc(Cl)n2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167679 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Br)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167684 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cc(N3CCCCC3)nc(C)n2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167686 KJ Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cc(OC)nc(N3CCCCC3)n2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167687 KJ Annotated Mild Cc1nc([C@H](C)NC(=O)c2ccc(-c3cnc4ncc(Cc5ccc6ncccc6c5)n4n3)cc2Cl)no1 ZINC000096167849 KJ Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2ccc(C(C)(C)OC)cn2)C2CC2)[C@@H]1O)CC(C)C ZINC000096168514 KJ Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O)CC(C)C ZINC000096168517 KJ Annotated Anodyne CC(C)(C)OC(=O)N1CC=C(c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)CC1 ZINC000096168847 KJ Annotated Anodyne CC(C)[C@@H](C(=O)Cc1ccc(F)cc1)N1C[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C(=O)[C@H]2C1 ZINC000096169520 KJ Annotated Anodyne CC(C)[C@H](C(=O)Cc1ccc(F)cc1)N1C[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C(=O)[C@H]2C1 ZINC000096169521 KJ Annotated Anodyne O=C1[C@H]2CN(C[C@H](O)c3ccc(Cl)cc3Cl)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 ZINC000096169523 KJ Annotated Anodyne O=C1[C@H]2CN(C[C@@H](O)c3ccc(Cl)cc3Cl)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 ZINC000096169524 KJ Annotated Anodyne CN1CCN(c2cccc(N(c3cccc(N4CCN(C)CC4)c3)c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(F)cn4n3)c2)CC1 ZINC000096169628 KJ Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12 ZINC000096169820 KJ Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nc12 ZINC000096169825 KJ Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)C4)nc12 ZINC000096169841 KJ Annotated Anodyne CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccc(F)cc4-c4noc(=O)[nH]4)cc3)c2s1 ZINC000096169996 KJ Annotated Anodyne CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4cc(F)ccc4-c4noc(=O)[nH]4)cc3)c2s1 ZINC000096169997 KJ Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCC(CCO)CC2)nc1 ZINC000096170155 KJ Annotated Anodyne COC1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170163 KJ Annotated Anodyne CC1(C(=O)N2CCN(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1 ZINC000096170429 KJ Annotated Anodyne CCOC(=O)N=[S@](=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 ZINC000096170616 KJ Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C3=NCCO3)n(Cc3ccccn3)c2c1 ZINC000096172128 KJ Annotated Anodyne COc1ccc(-c2c(C3CCCCC3)c3ccc4cc3n2CC(=O)NCCCCN(C)S(=O)(=O)CC4=O)cc1 ZINC000096172326 KJ Annotated Anodyne CN1CCCCCNC(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)C(=O)CS1(=O)=O ZINC000096172329 KJ Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)NC3=NC(CN(C)C)=CC3)c3nccnc23)c1Cl ZINC000096173394 KJ Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)NC3=NC=CC3)c3ncc(N(C)CCN(C)C)nc23)c1Cl ZINC000096173408 KJ Annotated Anodyne c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCN(Cc5ccncc5)CC4)cc3)nnc1-2 ZINC000096174004 KJ Annotated Anodyne COc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096174035 KJ Annotated Anodyne COc1cccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1 ZINC000096174047 KJ Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174078 KJ Annotated Anodyne Cc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174079 KJ Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174084 KJ Annotated Anodyne CC(C)CS(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174087 KJ Annotated Anodyne O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000096174089 KJ Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174091 KJ Annotated Anodyne CCN(c1cc2nn(-c3ccc(Nc4ccc(F)cc4)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174167 KJ Annotated Anodyne CCN(c1cc2nn(-c3ccc(Oc4ccccc4F)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174168 KJ Annotated Anodyne CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ccccc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174178 KJ Annotated Anodyne CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cccc(OC)c3F)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174186 KJ Annotated Anodyne CNC(=O)c1c2cc(C3CC3)c(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174199 KJ Annotated Anodyne CNC(=O)c1c2cc(C3CC3)c(N(CCCSC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174200 KJ Annotated Anodyne CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174204 KJ Annotated Anodyne CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1 ZINC000096174210 KJ Annotated Anodyne CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@H]1CCCO1 ZINC000096174211 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096174226 KJ Annotated Mild in-man C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096174464 KJ Annotated Mild COC(=O)N[C@@H](C)CCc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(NS(=O)(=O)C(C)C)c(C)c(OC)c2)n1 ZINC000096174522 KJ Annotated Anodyne COC(=O)N[C@@H](C)CCc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(NS(=O)(=O)C3CC3)c(C)c(OC)c2)n1 ZINC000096174523 KJ Annotated Anodyne COC(=O)N[C@@H](C)CCc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(C)cc(NS(=O)(=O)C(C)C)c2)n1 ZINC000096174528 KJ Annotated Anodyne COC(=O)N[C@@H](C)CCc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(C)cc(NS(=O)(=O)CC(F)(F)F)c2F)n1 ZINC000096174579 KJ Annotated Anodyne COC(=O)N[C@@H](C)CCc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)C3CC3)c2F)n1 ZINC000096174592 KJ Annotated Anodyne COC(=O)N[C@@H](C)CCc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)C(C)C)c2F)n1 ZINC000096174594 KJ Annotated Anodyne CCCS(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(CC[C@H](C)NC(=O)OC)n2)c1F ZINC000096174605 KJ Annotated Anodyne COC(=O)N[C@@H](C)CCc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(C)cc(NS(=O)(=O)C(C)C)c2)n1 ZINC000096174607 KJ Annotated Anodyne COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2)CC1 ZINC000096176184 KJ Annotated Mild Cc1c(C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)ccc2ncc(-c3ccccc3)cc12 ZINC000096176185 KJ Annotated Mild O=C(NCC#Cc1ccc2ncc(-c3ccccc3)cc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O ZINC000096176187 KJ Annotated Mild C[C@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCN(C)C4)c3c2)c1=O ZINC000096176232 KJ Annotated Mild C[C@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@H]4CCN(C)C4)c3c2)c1=O ZINC000096176242 KJ Annotated Mild C[C@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(C)C4)c3c2)c1=O ZINC000096176249 KJ Annotated Mild C[C@@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(CCN5CCOCC5)C4)c3c2)c1=O ZINC000096176251 KJ Annotated Mild C[C@@H](CNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12)c1ccccc1 ZINC000096176272 KJ Annotated Mild CN(Cc1cnn(-c2ccc(F)cc2)c1)c1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176301 KJ Annotated Mild COc1cccc(CN(C)c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)c1 ZINC000096176302 KJ Annotated Mild COc1ccc(CN(C)c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)cc1 ZINC000096176309 KJ Annotated Mild CCC(CC)[C@H]1C(C(=O)c2ccc(C(=O)N(C)C)cc2)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176362 KJ Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000096176388 KJ Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2c2ccccc2OCCO)cc1 ZINC000096176486 KJ Annotated Mild C[S@@](=O)CCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176510 KJ Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@H]2C2COC(C)(C)OC2)cn1 ZINC000096176640 KJ Annotated Mild COCCOc1cc(F)ccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176717 KJ Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000096176807 KJ Annotated Mild COCCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176843 KJ Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000096176849 KJ Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000096176853 KJ Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000096176900 KJ Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NN(C)C)cc2)s1 ZINC000096176927 KJ Annotated Reactive Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NCC#N)cc2)s1 ZINC000096176928 KJ Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NCCN(C)C)cc2)s1 ZINC000096176934 KJ Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000096176935 KJ Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000096176945 KJ Annotated Mild COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OCCO)N(c2nc4cc(OC)ccc4s2)C3=O)cc1 ZINC000096177125 KJ Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OCCO)N(c2nc4ccc(OC)cc4s2)C3=O)cc1 ZINC000096177126 KJ Annotated Anodyne C[S@@](=O)CCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177176 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(Cc2ccc(OC)cc2OC)c2ncnn12 ZINC000096178226 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C/C(=N\OCC)C(F)(F)F)c2nc(C)nn12 ZINC000096178236 KJ Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(C2CCSCC2)c2nc(C)nn12 ZINC000096178239 KJ Annotated Anodyne CCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CCOC(C)(C)C2)c2ncnn12 ZINC000096178252 KJ Annotated Anodyne CCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@H]2CCOC(C)(C)C2)c2ncnn12 ZINC000096178253 KJ Annotated Anodyne CCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(C2CCOCC2)c2nc(C)nn12 ZINC000096178254 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCN(c3ccc(O)cc3)CC2)c2ncnn12 ZINC000096178371 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OC[C@H](C)O)CC2)c2ccnn12 ZINC000096178377 KJ Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OC[C@@H](C)O)CC2)c2ccnn12 ZINC000096178378 KJ Annotated Anodyne CC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2c([N+](=O)[O-])cccc21 ZINC000096236945 KJ Annotated Bother CC[C@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2c([N+](=O)[O-])cccc21 ZINC000096236946 KJ Annotated Bother CC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2c([N+](=O)[O-])cccc21 ZINC000096236947 KJ Annotated Bother CN(C)CCCNCCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc(NCCCN(C)C)c3ccccc3n2)cc1 ZINC000096258046 KJ Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000096258537 KJ Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000096258538 KJ Annotated Anodyne COc1ccc(-c2cnc(N3CCN(C(=O)NC4[C@H]5CC6C[C@@H]4CC(OC(N)=O)(C6)C5)c4ccccc43)nc2)cc1 ZINC000096269569 KJ Annotated Anodyne CC(C)(C)N1CCN(c2ccc(N3CCN(C(=O)NC4[C@H]5CC6C[C@@H]4CC(O)(C6)C5)c4ccccc43)nc2)CC1 ZINC000096269574 KJ Annotated Anodyne COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(Cl)cc3)C2=O)cc(OC)c1 ZINC000096273440 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)c2cccnc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273504 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)C(=O)NCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273510 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)C(=O)NCCc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273511 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)c2ccccn2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273517 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)C(=O)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273522 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)C(=O)c2cccc(F)c2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273525 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)C(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273527 KJ Annotated Anodyne CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccc(Cl)cc1 ZINC000096283063 KJ Annotated Anodyne CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cccc(Cl)c1 ZINC000096283064 KJ Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@H](C(N)=O)[C@@H](C)O)cn4)CC3)CC2)cc1 ZINC000096283473 KJ Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@H](C(N)=O)[C@@H](C)O)cn4)CC3)CC2)cc1 ZINC000096283474 KJ Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@@H](C(N)=O)[C@@H](C)O)cn4)CC3)CC2)cc1 ZINC000096283475 KJ Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@@H](C(N)=O)[C@@H](C)O)cn4)CC3)CC2)cc1 ZINC000096283476 KJ Annotated Anodyne COC[C@@H](Oc1cc(C[C@@H]2C[S@@](=O)C[C@H](N[C@H](C)c3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000096284114 KJ Annotated Anodyne Cc1cc(-c2cn(CC(=O)N3CCN(c4cccc(C#N)c4)C(=O)C3)c(-c3ccc(F)cc3)n2)ccc1F ZINC000096284545 KJ Annotated Mild CCOc1cc([C@H](Nc2ccc3cnccc3c2)/C(O)=N/S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)ccc1OC(C)C ZINC000096284573 KJ Annotated Mild CCOc1cc([C@@H](Nc2ccc3cnccc3c2)/C(O)=N/S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)ccc1OC(C)C ZINC000096284574 KJ Annotated Mild Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5Cc5ccccc54)CC3)CC2)ccn1 ZINC000096285181 KJ Annotated Anodyne Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5cccnc54)CC3)CC2)ccn1 ZINC000096285182 KJ Annotated Anodyne Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285454 KJ Annotated Anodyne Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285455 KJ Annotated Anodyne Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285456 KJ Annotated Anodyne Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285457 KJ Annotated Anodyne COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)O)cn3)c3nnc(CF)n3-c3ccc(Cl)cc32)c1OC ZINC000096285786 KJ Annotated Anodyne O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F ZINC000096286499 KJ Annotated Anodyne COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)CO)c(CN(C)Cc4ccccn4)n3c2=O)c1 ZINC000096300997 KJ Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](OC[C@@H]2[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@H](OC(C)=O)[C@@H]1O ZINC000096307601 KJ Annotated Anodyne CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@@H]1CO[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]1O ZINC000096307603 KJ Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](OC(C)=O)[C@@H](CO[C@@H]6O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000096307605 KJ Annotated Anodyne Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(OC(F)(F)F)ccc4n2)CC1)O3 ZINC000096307644 KJ Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC1(CCCCc3cccc4c3CN(C4)C(=O)O2)CCC1)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096900074 KJ Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CC(=O)OC)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000096900597 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)N[C@H](C)CCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096902063 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)N[C@H](C)CCCCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096902427 KJ Annotated Mild Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(-c5ccc(C(C)(C)C)cc5)no4)CC3)ccc2s1 ZINC000096902502 KJ Annotated Anodyne C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C[C@H](O)[C@]35OC(=O)[C@@]6(CCC(C)(C)C[C@H]63)CC[C@]54C)C2(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000096902942 KJ Annotated Anodyne CC1=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](/C(C)=C/c3csc(C)n3)C[C@@H]2O1 ZINC000096903000 KJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3cccnc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000096903159 KJ Annotated Anodyne CC(=O)OC/C1=C\C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000096903168 KJ Annotated Mild CS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000096903299 KJ Annotated Anodyne CCCCCCCCCCCCOC(=O)[C@@H](C)N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)Oc1ccccc1 ZINC000096903881 KJ Annotated Mild CCCCCCCCCCCCOC(=O)[C@@H](C)N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)Oc1ccccc1 ZINC000096903882 KJ Annotated Mild C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3 ZINC000096904410 KJ Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCC[C@@H]67)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000096904529 KJ Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@](C)(O)CC(=O)O)[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000096905093 KJ Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000096905094 KJ Annotated Anodyne O=S(=O)(O)c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccc(S(=O)(=O)O)cc41)-c1ccccc1-3)c1ccc(S(=O)(=O)O)cc21 ZINC000096905099 KJ Annotated Bother COC(=O)C[C@H]([C@@H](C(=O)OCc1ccccc1)[C@H](C)O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000096905595 KJ Annotated Anodyne COC(=O)C[C@H]([C@H](C(=O)OCc1ccccc1)[C@H](C)O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000096905596 KJ Annotated Anodyne NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(=O)(=O)N2CCCC2)c1 ZINC000096905630 KJ Annotated Anodyne O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000096905748 KJ Annotated Anodyne COc1ccc([C@H]2NC(=O)NC(CCc3ccc(O)c(OC)c3)=C2C(=O)CCc2ccc(O)c(OC)c2)c(OC)c1 ZINC000096905810 KJ Annotated Mild COc1ccc([C@@H]2NC(=O)NC(CCc3ccc(O)c(OC)c3)=C2C(=O)CCc2ccc(O)c(OC)c2)c(OC)c1 ZINC000096905811 KJ Annotated Mild COc1ccc(OC)c([C@H]2NC(=O)NC(CCc3ccc(O)c(OC)c3)=C2C(=O)CCc2ccc(O)c(OC)c2)c1 ZINC000096905812 KJ Annotated Mild COc1ccc(OC)c([C@@H]2NC(=O)NC(CCc3ccc(O)c(OC)c3)=C2C(=O)CCc2ccc(O)c(OC)c2)c1 ZINC000096905813 KJ Annotated Mild C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@]5(CCCCCCC[C@@H](C)[C@H]6[C@H](C)[C@H](O)[C@@](O)([C@H](O)[C@@]7(COC(=O)c8ccccc8)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000096906182 KJ Annotated Mild COc1cc(-n2cc(CN(Cc3cn(-c4cc(OC)c(OC)c(OC)c4)nn3)c3nc4ccccc4s3)nn2)cc(OC)c1OC ZINC000096906746 KJ Annotated Anodyne Fc1ccccc1-n1cc(CN(Cc2cn(-c3ccccc3F)nn2)c2nc3ccccc3s2)nn1 ZINC000096906755 KJ Annotated Anodyne COc1cccc(-n2cc(CN(Cc3cn(-c4cccc(OC)c4)nn3)c3nc4ccccc4s3)nn2)c1 ZINC000096906757 KJ Annotated Anodyne Fc1cccc(-n2cc(CN(Cc3cn(-c4cccc(F)c4)nn3)c3nc4ccccc4s3)nn2)c1 ZINC000096906760 KJ Annotated Anodyne C[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(I)cc1F)N1C(=O)N[C@H](c2ccc(OC[C@H](C)CO)cc2)C1=O ZINC000096906866 KJ Annotated Anodyne N#Cc1c(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cn2)n(C2CCC2)c2cc(OC(F)F)ccc12 ZINC000096907024 KJ Annotated Mild N#Cc1c(-c2ccc(S(=O)(=O)NCC(F)(F)F)cn2)n(C2CCC2)c2cc(OC(F)F)ccc12 ZINC000096907030 KJ Annotated Mild Cc1ccc(C(F)(F)F)cc1COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1N(C)S(C)(=O)=O ZINC000096907102 KJ Annotated Anodyne Oc1[nH]c(=S)nc2c1[C@@H](c1ccccc1)N=C1NC3=C(C=C12)c1nc(=S)[nH]c(O)c1[C@@H](c1ccccc1)N3 ZINC000096907330 KJ Annotated Anodyne Oc1[nH]c(=S)nc2c1[C@H](c1ccccc1)N=C1NC3=C(C=C12)c1nc(=S)[nH]c(O)c1[C@@H](c1ccccc1)N3 ZINC000096907331 KJ Annotated Anodyne Oc1[nH]c(=S)nc2c1[C@H](c1ccccc1)N=C1NC3=C(C=C12)c1nc(=S)[nH]c(O)c1[C@H](c1ccccc1)N3 ZINC000096907332 KJ Annotated Anodyne Cc1noc(/C=C/c2ccccc2O)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000096907406 KJ Annotated Mild Cc1noc(/C=C/c2ccccc2O)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000096907407 KJ Annotated Mild C/N=C/c1c(O)c(O)c(C(C)C)c2c1C(=O)C(C1=C(C)C(=O)c3c(c(/C=N/C)c(O)c(O)c3C(C)C)C1=O)=C(C)C2=O ZINC000096907490 KJ Annotated Mild CCN(CC)c1ncc(N(C(C)C)S(=O)(=O)c2ccc(Cl)cc2)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)n1 ZINC000096907669 KJ Annotated Anodyne C[C@H]1C[C@@]2(C)O[C@@H]2[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC1=O ZINC000096907724 KJ Annotated Anodyne C[C@H]1C[C@]2(C)O[C@@H]2[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC1=O ZINC000096907725 KJ Annotated Anodyne C[C@H]1C[C@@]2(C)O[C@H]2[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC1=O ZINC000096907726 KJ Annotated Anodyne C[C@H]1C[C@]2(C)O[C@H]2[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC1=O ZINC000096907727 KJ Annotated Anodyne CCN(CC)c1ncc(N(CC)S(=O)(=O)c2ccc(F)cc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096908254 KJ Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@H](C(=O)O)c3ccc(F)cc3)c2)c(OC)c1 ZINC000096908604 KJ Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@@H](C(=O)O)c3ccc(F)cc3)c2)c(OC)c1 ZINC000096908605 KJ Annotated Anodyne COC(=O)[C@@H](Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(F)cc1 ZINC000096908623 KJ Annotated Anodyne COC(=O)[C@H](Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(F)cc1 ZINC000096908624 KJ Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCc1ccccc1)C=C1c3cc4c(cc3C(=O)N(Cc3ccccc3)[C@H]12)OCO4 ZINC000096909475 KJ Annotated Anodyne COc1cc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1ccccc1O ZINC000096909589 KJ Annotated Anodyne O=C(c1nc(OC(F)(F)F)ccc1-c1ncccn1)N1CC2(CC2)C[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000096909616 KJ Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4c(C)cccc4C)ccc3=O)c2)CC1 ZINC000096909765 KJ Annotated Anodyne CCc1ccccc1Nc1ccc(=O)n(Cc2cccc(NC(=O)N3CCC(C(=O)N(CC)CC)CC3)c2)n1 ZINC000096909766 KJ Annotated Anodyne CCN(C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4ccccc4C)ccc3=O)c2)CC1)C(C)C ZINC000096909771 KJ Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(-c4cccc(Br)c4)ccc3=O)c2)CC1 ZINC000096909777 KJ Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(-c4cccc(Cl)c4)ccc3=O)c2)CC1 ZINC000096909778 KJ Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OCC(=O)O)cc3)cn(CC(=O)O)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909878 KJ Annotated Anodyne COc1cc([C@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096909898 KJ Annotated Anodyne COc1cc([C@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096909899 KJ Annotated Anodyne COc1cc([C@@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096909900 KJ Annotated Anodyne COc1cc([C@@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096909901 KJ Annotated Anodyne CCC[C@H](O)[C@@]1(CC)C[C@@H](C)[C@](O)([C@@]2(C)C[C@H](C)[C@@H]([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@H]3O[C@](O)([C@H](CC)C(=O)O)[C@@H](C)[C@@H](O)[C@H]3CC)O2)O1 ZINC000096909974 KJ Annotated Anodyne CCC[C@H](O)[C@@]1(CC)C[C@@H](C)[C@](O)([C@@]2(C)C[C@H](C)[C@@H]([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]3O[C@](O)([C@H](CC)C(=O)O)[C@@H](C)[C@@H](O)[C@H]3CC)O2)O1 ZINC000096909975 KJ Annotated Anodyne C/C(=N/NC(=O)COc1c(Br)cc(Br)c2cccnc12)c1ccc([N+](=O)[O-])cc1 ZINC000096910074 KJ Annotated Reactive COC(=O)Nc1ccc2c(CSc3nnc(CSc4nc(C)cc(C)n4)s3)cc(=O)oc2c1 ZINC000096910560 KJ Annotated Anodyne COc1ccccc1CN(Cn1sc2nc(C)cc(C)c2c1=O)Cn1sc2nc(C)cc(C)c2c1=O ZINC000096910906 KJ Annotated Anodyne COc1ccc(CN(Cn2sc3nc(C)cc(C)c3c2=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1 ZINC000096910907 KJ Annotated Anodyne COc1ccc(CN(Cn2sc3nc(C)cc(C)c3c2=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1OC ZINC000096910908 KJ Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(-c2ccc(F)cc2)nn1)OCOC(=O)C(C)(C)C ZINC000096913236 KJ Annotated Anodyne COc1cc(OC)cc(-c2cn(C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)nn2)c1 ZINC000096913238 KJ Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(-c2cccs2)nn1)OCOC(=O)C(C)(C)C ZINC000096913242 KJ Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(-c2ccccc2)nn1)OCOC(=O)C(C)(C)C ZINC000096913262 KJ Annotated Anodyne Cc1c(F)cccc1S(=O)(=O)n1c(COc2ccc([N+](=O)[O-])cc2)nc2cc(Br)ccc21 ZINC000096913971 KJ Annotated Bother COc1ccc(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3cc(Br)ccc32)c(OC)c1 ZINC000096913973 KJ Annotated Bother Cc1cccc(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3cc(Br)ccc32)c1 ZINC000096913974 KJ Annotated Bother COc1ccc(OC)c(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3ccc(Br)cc32)c1 ZINC000096913975 KJ Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)cc3n2S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000096914504 KJ Annotated Bother Cc1c(F)cccc1S(=O)(=O)n1c(COc2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc21 ZINC000096914509 KJ Annotated Bother COc1ccc(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3ccc(Br)cc32)c(OC)c1 ZINC000096914511 KJ Annotated Bother Cc1cccc(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3ccc(Br)cc32)c1 ZINC000096914512 KJ Annotated Bother COc1ccc(OC)c(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3cc(Br)ccc32)c1 ZINC000096914514 KJ Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(Br)ccc3n2S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000096914515 KJ Annotated Bother CCOC(=O)c1csc(NC(=O)c2cc(NC(=O)c3csc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)n3)cn2C)n1 ZINC000096914583 KJ Annotated Anodyne CCOC(=O)c1csc(NC(=O)c2csc(NC(=O)c3csc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)n3)n2)n1 ZINC000096914585 KJ Annotated Anodyne CCOC(=O)c1csc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cn2C)n1 ZINC000096914588 KJ Annotated Anodyne CCOC(=O)c1csc(NC(=O)c2csc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)n2)n1 ZINC000096914591 KJ Annotated Anodyne Cc1c([C@H]2[C@@H](C(C)C)CC[C@@]2(C)C(=O)CNCCS(=O)(=O)O)cc([C@]2(O)Cc3cc(O)c(=O)c(C)c4c3[C@@H](O2)[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H]42)cc(O)c1=O ZINC000096914623 KJ Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccccc3F)nn2)c1 ZINC000096915024 KJ Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3cccc(F)c3)nn2)c1 ZINC000096915025 KJ Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccccc3C)nn2)c1 ZINC000096915027 KJ Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3cccc(C)c3)nn2)c1 ZINC000096915028 KJ Annotated Anodyne CC(C)C(c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000096917611 KJ Annotated Clean CN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3ccc(I)cc3)c3ccccc23)CC1 ZINC000096921202 KJ Annotated Mild CC[C@@]12CC[C@@H]3N(C)c4ccc([C@@H]5[C@H]6O[C@H]6[C@@]6(CC)CC(C(=O)OC)=C7Nc8c(cc(O)c(OC)c8OC)[C@@]78CCN5[C@@H]68)cc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 ZINC000096921467 KJ Annotated Clean CCN(CC)CCC(=O)N[C@@H]1CC2(N3CCN(C)CC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000096921598 KJ Annotated Anodyne CN1CCN(C23C[C@@H](NC(=O)CCN4CCCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921604 KJ Annotated Anodyne CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(/C=N/c3ccc(S(=O)(=O)N=C(N)N)cc3)c(Cl)c2c1 ZINC000096921658 KJ Annotated Mild COc1ccc(C(=O)c2[nH]c3nc[nH]c(=O)c3c2-c2cc(Br)cc(Br)c2)cc1 ZINC000096921746 KJ Annotated Anodyne CN(C)CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccccc3)n2)cc1Br ZINC000096921827 KJ Annotated Anodyne CNCCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccccc3)n2)cc1Br ZINC000096921828 KJ Annotated Anodyne CNCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccc(OC)c(Br)c3)n2)cc1Br ZINC000096921830 KJ Annotated Anodyne O=[N+]([O-])c1ccc(Cn2cc(CO/N=C/c3c(-c4ccccc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922441 KJ Annotated Mild N#Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccccc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922442 KJ Annotated Mild N#Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(F)cc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922446 KJ Annotated Mild O=C(NC(=S)Nc1ncccn1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000096922487 KJ Annotated Anodyne COc1cc(CCOc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc(OC)c1 ZINC000096922503 KJ Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1OC ZINC000096922504 KJ Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3ccc4c(c3)OCO4)c(OC)c2)cc1OC ZINC000096922511 KJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O ZINC000096922557 KJ Annotated Anodyne COc1ccc(Cn2cc(CO/N=C/c3c(-c4ccccc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922579 KJ Annotated Mild COC(=O)CCCn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21 ZINC000096922823 KJ Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1COc1nc(Nc2ccc(F)cc2F)nc(C(F)(F)F)c1C ZINC000096922919 KJ Annotated Mild CNC(=O)/C(=N/OC)c1ccccc1COc1nc(Nc2ccc(F)c(F)c2F)nc(C(F)(F)F)c1C ZINC000096922920 KJ Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)Nc1ccccc1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096923137 KJ Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)C3CCN(C)CC3)[C@H](OC(=O)C3CCN(C)CC3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924237 KJ Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924248 KJ Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924249 KJ Annotated Mild C=CCn1c(=O)c([C@@H]2C(C(=O)OC(C)C)=C(N)N(NC(=O)c3ccncc3)C3=C2C(=O)CC(C)(C)C3)cc2cc(Cl)ccc21 ZINC000096926958 KJ Annotated Mild C=CCn1c(=O)c([C@H]2C(C(=O)OC(C)C)=C(N)N(NC(=O)c3ccncc3)C3=C2C(=O)CC(C)(C)C3)cc2cc(Cl)ccc21 ZINC000096926959 KJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)C(=O)O)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/c1ccc(OC)cc1 ZINC000096927086 KJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)C(=O)OC)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/c1ccc(OC)cc1 ZINC000096927094 KJ Annotated Mild C/C(=N/NC(=O)c1sc(=S)n(-c2ccc3ccccc3c2)c1N)c1ccc(N2CCOCC2)cc1 ZINC000096927938 KJ Annotated Reactive NC(=N\C(=O)c1ccc(C(=O)NCc2cccc(NC(=O)OCc3ccccc3)c2)o1)/N=C(\O)OCc1ccccc1 ZINC000096928164 KJ Annotated Mild Cc1ncc(C#N)c(Oc2ccc(OCc3ccccn3)c(Cl)c2)c1C#Cc1ccc(CNCCS(C)(=O)=O)o1 ZINC000096928294 KJ Annotated Mild CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(Br)cc2)c1C(=O)OCC ZINC000096928596 KJ Annotated Anodyne COc1cc(-c2nc3sc4c(c3c(=O)n2[C@@H](Cc2ccccc2)C(=O)O)CCCC4)cc(OC)c1OC ZINC000096928925 KJ Annotated Anodyne COc1cc(-c2nc3sc4c(c3c(=O)n2[C@H](Cc2ccccc2)C(=O)O)CCCC4)cc(OC)c1OC ZINC000096928926 KJ Annotated Anodyne COc1cc(C(=O)c2c(C(=O)O)cc(OC)c(OC)c2Br)c(Br)c(Br)c1OC ZINC000096929418 KJ Annotated Anodyne O=[N+]([O-])c1ccc(-c2nn3c(-c4cccc(-c5nnc6sc(-c7ccc([N+](=O)[O-])cc7)nn56)n4)nnc3s2)cc1 ZINC000096930300 KJ Annotated Bother O=[N+]([O-])c1cccc(-c2nn3c(-c4cccc(-c5nnc6sc(-c7cccc([N+](=O)[O-])c7)nn56)n4)nnc3s2)c1 ZINC000096930302 KJ Annotated Bother O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(C(=O)/C=C\c2ccccc2O)cc1 ZINC000096931309 KJ Annotated Mild O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000096931316 KJ Annotated Mild CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@H]4C[C@@H](C)C[C@@H](C)[C@@H]4[C@@H]4Oc5ccc(cc5)C[C@@]5(O)NC(=O)[C@@]6(O[C@H]56)C(=O)[C@H]2[C@H]43)[C@H]1C ZINC000096931988 KJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O ZINC000096932629 KJ Annotated Mild CC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096932990 KJ Annotated Mild NCCCOc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(OCCCN)c6)nn5)cc4c3)nn2)c1 ZINC000096933242 KJ Annotated Anodyne NCCCOc1cc(C#Cc2ccc3ccc(C#Cc4cc(OCCCN)cc(OCCCN)c4)cc3c2)cc(OCCCN)c1 ZINC000096933249 KJ Annotated Mild CC(C)Sc1nnc(-c2c(CNCCCN3CCOCC3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933337 KJ Annotated Anodyne CC(C)Sc1nnc(-c2c(CNCCCN3CCOCC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933341 KJ Annotated Anodyne COc1cc2c(cc1OC)[C@H](N1CCC(n3c(=O)n(CCCN(C)C)c4cc(Cl)ccc43)CC1)CC2 ZINC000096933807 KJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H](N1CCC(n3c(=O)n(CCCN(C)C)c4cc(Cl)ccc43)CC1)CC2 ZINC000096933808 KJ Annotated Anodyne Cc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(C)o2)CN(C)[C@]32C(=O)N(CN3CCOCC3)c3ccccc32)o1 ZINC000096934233 KJ Annotated Mild CN1CCN(CN2C(=O)[C@@]3(c4ccccc42)N(C)C[C@@H](c2ccccc2)[C@@]32CCC/C(=C\c3ccccc3)C2=O)CC1 ZINC000096934427 KJ Annotated Mild NCCCNCCCCNCCCN1C(=O)C(c2ccc3ccccc3c2)=C(c2ccc3ccccc3c2)C1=O ZINC000096934623 KJ Annotated Anodyne O=S(=O)(Nc1ncccn1)c1ccc(N/C(S)=N\c2ccnc3cc(C(F)(F)F)ccc23)cc1 ZINC000096934994 KJ Annotated Mild COc1cc(NS(=O)(=O)c2ccc(/N=C(\S)Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)nc(OC)n1 ZINC000096934997 KJ Annotated Mild COc1ncnc(NS(=O)(=O)c2ccc(/N=C(/S)Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)c1OC ZINC000096934998 KJ Annotated Mild COc1cc(NS(=O)(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)nc(OC)n1 ZINC000096935010 KJ Annotated Anodyne COc1ccc(C(=O)Oc2c(OC)ccc3c2c[n+]2c4c3ccc3c5c(cc(c34)CC2)OCO5)cc1[N+](=O)[O-] ZINC000096935110 KJ Annotated Bother COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000096937416 KJ Annotated Bother C=C1[C@@H](O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](OC(=O)Cc3ccccc3)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000096937425 KJ Annotated Mild CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Cl)[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(O)cc1 ZINC000096937432 KJ Annotated Anodyne CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000096937435 KJ Annotated Anodyne CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000096937437 KJ Annotated Anodyne COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1OC ZINC000096937482 KJ Annotated Anodyne COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1OC ZINC000096937483 KJ Annotated Anodyne COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(OC)cc32)cc1 ZINC000096937486 KJ Annotated Anodyne COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(OC)cc32)cc1 ZINC000096937487 KJ Annotated Anodyne COC(=O)c1cccc2c1NC(=O)[C@]2(c1ccc(OC)cc1)c1cc(C(C)(C)C)ccc1OCCN1CCOCC1 ZINC000096937488 KJ Annotated Anodyne COC(=O)c1cccc2c1NC(=O)[C@@]2(c1ccc(OC)cc1)c1cc(C(C)(C)C)ccc1OCCN1CCOCC1 ZINC000096937489 KJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(-c4ccc(Cl)cc4)nn3c2)c1F ZINC000096937600 KJ Annotated Anodyne CN1CCN(CCNCc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938535 KJ Annotated Anodyne COc1cccc(-c2cc3c(O)c(c2)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)C3)c1OC ZINC000096939408 KJ Annotated Anodyne COc1ccc(-c2cc3c(O)c(c2)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)C3)cc1 ZINC000096939409 KJ Annotated Anodyne Cc1ccc(-c2cc3c(O)c(c2)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)C3)cc1 ZINC000096939410 KJ Annotated Anodyne O=S(=O)(O)c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)C2 ZINC000096939414 KJ Annotated Anodyne CN1C(C)(C)CC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1(C)C ZINC000096939888 KJ Annotated Bother O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096940103 KJ Annotated Bother O=C(NC1CCN(C2CCCC2)CC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096940106 KJ Annotated Bother Cc1cc2oc(=O)cc(-c3cccc(NS(C)(=O)=O)c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 ZINC000096940134 KJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CCC2)cc1 ZINC000096940200 KJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CCC2)cc1 ZINC000096940201 KJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000096940202 KJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000096940203 KJ Annotated Anodyne CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940206 KJ Annotated Anodyne CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940207 KJ Annotated Anodyne CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940208 KJ Annotated Anodyne CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940209 KJ Annotated Anodyne CC(=O)Nc1ccc(N(C(=O)Cn2cc(-c3ccccc3)nn2)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940214 KJ Annotated Anodyne CC(=O)Nc1ccc(N(C(=O)Cn2cc(-c3ccccc3)nn2)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940215 KJ Annotated Anodyne C/C1=C\[C@@H](OC(=O)CNC(=O)OCc2ccccc2)C(=O)/C=C/C=C/c2csc(n2)[C@@H](C)N2C(=O)C[C@@]([C@@](C)(O)C(=O)SCc3oc(=O)oc3C)(CC1)[S@@]2=O ZINC000096941728 KJ Annotated Mild C/C1=C\[C@@H](OC(=O)CNC(=O)OCc2ccccc2)C(=O)/C=C/C=C/c2csc(n2)[C@@H](C)N2C(=O)C[C@@]([C@@](C)(O)C(=O)SCc3oc(=O)oc3C)(CC1)[S@]2=O ZINC000096941729 KJ Annotated Mild C/C1=C\[C@@H](O[C@H]2CCCCO2)C(=O)/C=C/C=C/c2csc(n2)[C@@H](C)N2C(=O)C[C@@]([C@@](C)(O)C(=O)SCc3oc(=O)oc3C)(CC1)[S@@]2=O ZINC000096941730 KJ Annotated Mild C/C1=C\[C@@H](O[C@H]2CCCCO2)C(=O)/C=C/C=C/c2csc(n2)[C@@H](C)N2C(=O)C[C@@]([C@@](C)(O)C(=O)SCc3oc(=O)oc3C)(CC1)[S@]2=O ZINC000096941731 KJ Annotated Mild O=C1[C@@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000098065442 KJ Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000098065443 KJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl ZINC000098081895 KJ Annotated Bother COc1ccc(CN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000098081936 KJ Annotated Anodyne COc1ccc(CN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000098081937 KJ Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(CCCCCCBr)c3ccccc31)C(C#N)=C(N)O2 ZINC000098081987 KJ Annotated Reactive Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(CCCCCCBr)c3ccccc31)C(C#N)=C(N)O2 ZINC000098081988 KJ Annotated Reactive O=C(COc1nc(-c2cccs2)nc2ccc(I)cc12)NN1C(=O)c2cccc3cccc(c23)C1=O ZINC000098082112 KJ Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O ZINC000098082187 KJ Annotated Reactive N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@]12C(=O)N(CCCCCCCCCCBr)c1ccccc12 ZINC000098082233 KJ Annotated Reactive N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@@]12C(=O)N(CCCCCCCCCCBr)c1ccccc12 ZINC000098082234 KJ Annotated Reactive O=C1C(=O)N(CCCSC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc21 ZINC000098082276 KJ Annotated Anodyne N#CC1=C(N)OC2=C(C(=O)CC(CCCBr)(CCCBr)C2)[C@@]12C(=O)Nc1ccccc12 ZINC000098082465 KJ Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CC(CCCBr)(CCCBr)C2)[C@]12C(=O)Nc1ccccc12 ZINC000098082466 KJ Annotated Reactive CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccccc3[N+](=O)[O-])c2=O)=N1 ZINC000098082813 KJ Annotated Bother CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccccc3[N+](=O)[O-])c2=O)=N1 ZINC000098082814 KJ Annotated Bother CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=N1 ZINC000098082817 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=N1 ZINC000098082818 KJ Annotated Anodyne COc1cc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)ccc1O ZINC000098082881 KJ Annotated Reactive COc1cc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)ccc1O ZINC000098082882 KJ Annotated Reactive COc1cc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)ccc1O ZINC000098082883 KJ Annotated Reactive COc1cc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)ccc1O ZINC000098082884 KJ Annotated Reactive COc1ccc(-n2n[o+]c(O)c2-c2nn3cc(-c4cc5cc(Br)ccc5oc4=O)nc3s2)cc1 ZINC000098082970 KJ Annotated Anodyne CC1(C)O[C@H]2O[C@H]([C@@H]3CC(=O)N(Cc4ccccc4)C(=O)N3Cc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000098083040 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccccc3)c2=O)=N1 ZINC000098083346 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccccc3)c2=O)=N1 ZINC000098083347 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 ZINC000098083361 KJ Annotated Bother CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 ZINC000098083362 KJ Annotated Bother COc1cc([C@H]2O[C@@]3(C)C[C@H](c4cc(OC)c(OC)c(OC)c4)O[C@H]4C(=O)[C@H](C)[C@@H]2C[C@H]43)cc(OC)c1OC ZINC000098083463 KJ Annotated Anodyne COc1ccc([C@H]2O[C@@]3(C)C[C@H](c4ccc(OC)c(OC)c4OC)O[C@H]4C(=O)[C@H](C)[C@@H]2C[C@H]43)c(OC)c1OC ZINC000098083464 KJ Annotated Anodyne COc1ccc(F)cc1-c1cccc(-c2nn(CCOS(=O)(=O)c3ccc(F)c(Cl)c3)c(=O)o2)c1 ZINC000098084385 KJ Annotated Mild CC1(C)O[C@H]2O[C@H]([C@H]3CC(=O)N(Cc4ccccc4)C(=O)N3Cc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000098085046 KJ Annotated Anodyne CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C(=O)N2Cc2ccccc2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000098085049 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2[N+](=O)[O-])n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 ZINC000098085092 KJ Annotated Bother CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2[N+](=O)[O-])n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 ZINC000098085093 KJ Annotated Bother CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2[N+](=O)[O-])n2c(s/c(=C/c3ccc(Br)cc3)c2=O)=N1 ZINC000098085094 KJ Annotated Bother CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2[N+](=O)[O-])n2c(s/c(=C/c3ccc(Br)cc3)c2=O)=N1 ZINC000098085095 KJ Annotated Bother CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 ZINC000098085096 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 ZINC000098085097 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=N1 ZINC000098085098 KJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=N1 ZINC000098085099 KJ Annotated Anodyne COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C(C(=O)Nc2ccc(F)cc2)=C(C)N=3)cc1OC ZINC000098085102 KJ Annotated Anodyne COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C(C(=O)Nc2ccc(F)cc2)=C(C)N=3)cc1OC ZINC000098085103 KJ Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cn2nc(-c3c(O)[o+]nn3-c3ccccc3)sc2n1 ZINC000098085234 KJ Annotated Anodyne COc1ccc(-n2c(S)nnc2CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 ZINC000098085437 KJ Annotated Anodyne CCCCc1ccc(N2C(=O)C[C@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OC)N(Cc3ccccc3)C2=O)cc1 ZINC000098085578 KJ Annotated Anodyne CCCCc1ccc(N2C(=O)C[C@@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OC)N(Cc3ccccc3)C2=O)cc1 ZINC000098085579 KJ Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085763 KJ Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085764 KJ Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085765 KJ Annotated Anodyne COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2cc(NC(=O)c3ccccn3)c([N+](=O)[O-])cc2Cl)CC1 ZINC000098207836 KJ Annotated Bother Cc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@H]2c2cc(Cl)c3c(c2)OCO3)c1 ZINC000098207948 KJ Annotated Mild CS(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1 ZINC000098208092 KJ Annotated Anodyne COC1=NC(=O)C(c2cc(C(C)(C)C)c(OC)c3cc(-c4ccc(NS(C)(=O)=O)cc4)cnc23)=CC1 ZINC000098208109 KJ Annotated Anodyne CC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000098208382 KJ Annotated Anodyne C/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](NC(=O)/C=C\C=C/C(C)=C/[C@H](C)[C@@H]1CC=C(OC)C(=O)O1)C(C)(C)C)OC(N)=O ZINC000098208444 KJ Annotated Anodyne CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(NC(=O)C(F)(F)F)cc1)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO)NC(=O)C(Cl)Cl ZINC000098208753 KJ Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C ZINC000098208843 KJ Annotated Reactive O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OC[C@H](O)CO)cc2C3=O)ccc1F)c1ccccc1 ZINC000098208899 KJ Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000098209125 KJ Annotated Mild COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(O)Cc2ccc(cc2)C/C=C\CNC(=O)[C@H](C(C)(C)C)NC1=O)Cc1ccc(Br)cc1)C(C)(C)C ZINC000098209157 KJ Annotated Reactive CO[C@@H]1[C@@H](C)O[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)[C@@H](O)[C@@]12OC(=O)[C@H](CCCCCCCC(=O)O)O2 ZINC000098209184 KJ Annotated Anodyne in-vitro Nc1ccc(CC(=O)N(Cc2ccc(N)cc2)C[C@H]2CNCC=C(COC(=O)c3ccc(Br)cc3)C2)cc1 ZINC000098209214 KJ Annotated Clean CCN(CC)C1CCN(Cc2cc(C#CCOc3ccccc3)cc(I)c2O)CC1 ZINC000098209287 KJ Annotated Mild CCC1=C(C)/C(=C\C2=N/C(=C\c3[nH]c(C[C@@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000098209324 KJ Annotated Anodyne CCC1=C(C)/C(=C\C2=N/C(=C\c3[nH]c(C[C@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000098209325 KJ Annotated Anodyne CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccc(F)cc2F)c1 ZINC000098209596 KJ Annotated Mild C=CCN(Cc1ccccc1C(=O)NCc1ccc(OC)cc1)Cc1ccc2c(c1C(=O)O)OC[C@H](CCC(=O)O)O2 ZINC000098209680 KJ Annotated Mild